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 2plj_1_A DATA FIRST_RESID 3 DATA SEQUENCE HSQSIFDIHX XXXPVLSAEE IHLIEASVEQ FGAPLLLLDC DVIRQQYRAL DATA SEQUENCE KNALPNVTLH YALKPLPHPV VVRTLLAEGA SFDLATTGEV ELVASEGVPA DATA SEQUENCE DLTIHTHPIK RDADIRDALA YGCNVFVVDN LNELEKFKAY RDDVELLVRL DATA SEQUENCE SFXXXXXXXX XSKKFGCSPE QALVIIETAK EWNIRIKGLS FHVGSQTTNP DATA SEQUENCE NKYVEAIHTC RHVMEQVVER GLPALSTLDI GGGFPVNYTQ QVMPIDQFCA DATA SEQUENCE PINEALSLLP ETVHVLAEPG RFICAPAVTS VASVMGQAER EGQIWYYLDD DATA SEQUENCE GIYGSFSGLM FDDARYPLTT IKQGGELIPS VLSGPTCDSV DVIAENILLP DATA SEQUENCE KLNNGDLVIG RTMGAYTSAT ATDFNFFKRA QTIALNEFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.300 175.328 -0.046 0.000 0.993 3 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 3 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 4 S N 1.246 116.945 115.700 -0.001 0.000 2.537 4 S HA 0.543 5.013 4.470 -0.000 0.000 0.270 4 S C -1.734 172.829 174.600 -0.061 0.000 1.142 4 S CA -0.697 57.491 58.200 -0.021 0.000 0.870 4 S CB 1.566 64.766 63.200 -0.000 0.000 1.112 4 S HN 0.438 nan 8.310 nan 0.000 0.466 5 Q N 1.159 120.891 119.800 -0.114 0.000 2.511 5 Q HA 0.763 5.103 4.340 -0.000 0.000 0.289 5 Q C -1.508 174.367 176.000 -0.208 0.000 1.021 5 Q CA -1.024 54.705 55.803 -0.124 0.000 0.785 5 Q CB 1.511 30.181 28.738 -0.113 0.000 1.472 5 Q HN 0.439 nan 8.270 nan 0.000 0.411 6 S N 0.702 116.259 115.700 -0.238 0.000 2.501 6 S HA 0.561 5.031 4.470 -0.000 0.000 0.301 6 S C -0.416 173.899 174.600 -0.475 0.000 1.096 6 S CA -0.727 57.167 58.200 -0.509 0.000 1.063 6 S CB 0.695 63.298 63.200 -0.994 0.000 1.042 6 S HN 0.469 nan 8.310 nan 0.000 0.494 7 I N 3.395 123.702 120.570 -0.439 0.000 2.291 7 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 7 I C -0.364 175.570 176.117 -0.306 0.000 1.050 7 I CA -0.099 61.061 61.300 -0.233 0.000 1.245 7 I CB 0.386 38.335 38.000 -0.086 0.000 1.405 7 I HN 0.654 nan 8.210 nan 0.000 0.478 8 F N 2.433 122.392 119.950 0.015 0.000 2.746 8 F HA 0.138 4.665 4.527 -0.000 0.000 0.297 8 F C 0.837 176.633 175.800 -0.006 0.000 1.113 8 F CA 0.025 58.052 58.000 0.045 0.000 1.367 8 F CB 0.272 39.324 39.000 0.087 0.000 1.111 8 F HN 0.348 nan 8.300 nan 0.000 0.590 9 D N 0.034 120.472 120.400 0.063 0.000 2.328 9 D HA 0.104 4.744 4.640 -0.000 0.000 0.243 9 D C 0.652 176.714 176.300 -0.395 0.000 1.324 9 D CA -0.114 53.815 54.000 -0.117 0.000 0.966 9 D CB 0.363 41.102 40.800 -0.103 0.000 1.324 9 D HN 0.092 nan 8.370 nan 0.000 0.549 10 I N 3.393 123.826 120.570 -0.228 0.000 2.700 10 I HA -0.074 4.096 4.170 -0.000 0.000 0.261 10 I C 0.353 176.355 176.117 -0.192 0.000 1.219 10 I CA 1.313 62.503 61.300 -0.184 0.000 1.463 10 I CB -0.386 37.589 38.000 -0.042 0.000 1.092 10 I HN 0.501 nan 8.210 nan 0.000 0.452 17 V N 1.102 121.020 119.914 0.006 0.000 2.483 17 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 17 V C 0.253 176.350 176.094 0.005 0.000 1.035 17 V CA -0.994 61.310 62.300 0.005 0.000 0.896 17 V CB 1.798 33.624 31.823 0.004 0.000 0.986 17 V HN 0.119 nan 8.190 nan 0.000 0.447 18 L N 4.197 125.424 121.223 0.006 0.000 2.397 18 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 18 L C 1.115 177.991 176.870 0.009 0.000 1.148 18 L CA 0.130 54.974 54.840 0.007 0.000 0.825 18 L CB 1.435 43.500 42.059 0.009 0.000 1.117 18 L HN 1.033 nan 8.230 nan 0.000 0.456 19 S N 1.778 117.484 115.700 0.009 0.000 2.614 19 S HA 0.321 4.791 4.470 -0.000 0.000 0.265 19 S C 1.120 175.733 174.600 0.021 0.000 1.303 19 S CA -0.190 58.017 58.200 0.012 0.000 1.000 19 S CB 1.523 64.729 63.200 0.010 0.000 0.935 19 S HN 0.699 nan 8.310 nan 0.000 0.551 20 A N 1.202 124.033 122.820 0.020 0.000 1.933 20 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 20 A C 2.165 179.782 177.584 0.055 0.000 1.175 20 A CA 1.390 53.443 52.037 0.026 0.000 0.628 20 A CB -0.840 18.165 19.000 0.008 0.000 0.814 20 A HN 0.872 nan 8.150 nan 0.000 0.444 21 E N 0.279 120.510 120.200 0.051 0.000 2.072 21 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 21 E C 1.863 178.514 176.600 0.084 0.000 0.985 21 E CA 1.408 57.856 56.400 0.081 0.000 0.801 21 E CB -0.510 29.221 29.700 0.052 0.000 0.750 21 E HN 0.794 nan 8.360 nan 0.000 0.452 22 E N 0.704 120.931 120.200 0.046 0.000 2.051 22 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 22 E C 2.323 178.944 176.600 0.035 0.000 0.991 22 E CA 0.790 57.206 56.400 0.027 0.000 0.799 22 E CB -0.209 29.498 29.700 0.011 0.000 0.748 22 E HN 0.202 nan 8.360 nan 0.000 0.449 23 I N 0.726 121.325 120.570 0.048 0.000 2.151 23 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 23 I C 2.613 178.785 176.117 0.091 0.000 1.080 23 I CA 1.515 62.847 61.300 0.055 0.000 1.339 23 I CB -0.386 37.644 38.000 0.050 0.000 1.039 23 I HN 0.193 nan 8.210 nan 0.000 0.409 24 H N 0.910 119.983 119.070 0.006 0.000 2.319 24 H HA -0.224 4.332 4.556 -0.000 0.000 0.299 24 H C 1.877 177.213 175.328 0.013 0.000 1.092 24 H CA 1.871 57.924 56.048 0.008 0.000 1.302 24 H CB -0.298 29.468 29.762 0.007 0.000 1.373 24 H HN 0.160 nan 8.280 nan 0.000 0.497 25 L N 0.242 121.412 121.223 -0.088 0.000 2.017 25 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 25 L C 2.385 179.206 176.870 -0.082 0.000 1.073 25 L CA 1.566 56.324 54.840 -0.137 0.000 0.745 25 L CB -0.958 41.071 42.059 -0.051 0.000 0.894 25 L HN 0.423 nan 8.230 nan 0.000 0.432 26 I N -0.456 120.097 120.570 -0.028 0.000 2.127 26 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 26 I C 2.430 178.546 176.117 -0.002 0.000 1.075 26 I CA 1.720 63.018 61.300 -0.004 0.000 1.334 26 I CB -0.421 37.584 38.000 0.008 0.000 1.040 26 I HN 0.340 nan 8.210 nan 0.000 0.405 27 E N 0.836 121.034 120.200 -0.003 0.000 2.077 27 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 27 E C 2.349 178.932 176.600 -0.027 0.000 0.989 27 E CA 1.328 57.732 56.400 0.006 0.000 0.800 27 E CB -0.273 29.454 29.700 0.044 0.000 0.746 27 E HN 0.540 nan 8.360 nan 0.000 0.452 28 A N 1.070 123.826 122.820 -0.107 0.000 1.908 28 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 28 A C 2.359 179.892 177.584 -0.085 0.000 1.181 28 A CA 1.820 53.771 52.037 -0.143 0.000 0.627 28 A CB -0.507 18.310 19.000 -0.305 0.000 0.818 28 A HN 0.124 nan 8.150 nan 0.000 0.445 29 S N -0.583 115.110 115.700 -0.012 0.000 2.368 29 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 29 S C 1.891 176.579 174.600 0.147 0.000 1.030 29 S CA 1.415 59.700 58.200 0.141 0.000 0.999 29 S CB -0.432 62.874 63.200 0.176 0.000 0.844 29 S HN 0.356 nan 8.310 nan 0.000 0.459 30 V N 1.713 121.673 119.914 0.076 0.000 2.358 30 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 30 V C 2.445 178.553 176.094 0.023 0.000 1.047 30 V CA 1.980 64.322 62.300 0.069 0.000 1.035 30 V CB -0.630 31.223 31.823 0.049 0.000 0.658 30 V HN 0.532 nan 8.190 nan 0.000 0.452 31 E N 0.055 120.243 120.200 -0.019 0.000 2.077 31 E HA -0.324 4.026 4.350 -0.000 0.000 0.193 31 E C 2.206 178.737 176.600 -0.115 0.000 0.989 31 E CA 1.792 58.163 56.400 -0.049 0.000 0.800 31 E CB -0.068 29.602 29.700 -0.050 0.000 0.746 31 E HN 0.620 nan 8.360 nan 0.000 0.452 32 Q N -0.622 119.038 119.800 -0.233 0.000 2.062 32 Q HA -0.051 4.289 4.340 -0.000 0.000 0.196 32 Q C 1.289 176.985 176.000 -0.507 0.000 0.967 32 Q CA 1.835 57.339 55.803 -0.499 0.000 0.832 32 Q CB -0.071 28.138 28.738 -0.882 0.000 0.899 32 Q HN 0.408 nan 8.270 nan 0.000 0.442 33 F N -1.016 118.939 119.950 0.008 0.000 2.712 33 F HA 0.469 4.996 4.527 -0.000 0.000 0.297 33 F C 1.023 176.836 175.800 0.022 0.000 1.114 33 F CA 0.144 58.152 58.000 0.013 0.000 1.305 33 F CB 0.775 39.779 39.000 0.007 0.000 1.086 33 F HN 0.192 nan 8.300 nan 0.000 0.599 34 G N 1.218 110.117 108.800 0.165 0.000 2.733 34 G HA2 0.155 4.115 3.960 -0.000 0.000 0.686 34 G HA3 0.155 4.115 3.960 -0.000 0.000 0.686 34 G C -0.651 174.327 174.900 0.129 0.000 1.373 34 G CA -0.827 44.345 45.100 0.119 0.000 0.838 34 G HN 0.571 nan 8.290 nan 0.000 0.588 35 A N 2.407 125.288 122.820 0.102 0.000 2.282 35 A HA 0.984 5.304 4.320 -0.000 0.000 0.319 35 A C -1.517 176.128 177.584 0.102 0.000 1.121 35 A CA -0.835 51.259 52.037 0.094 0.000 0.836 35 A CB 1.162 20.209 19.000 0.079 0.000 1.146 35 A HN 0.917 nan 8.150 nan 0.000 0.494 36 P HA 0.606 nan 4.420 nan 0.000 0.279 36 P C -1.097 176.239 177.300 0.060 0.000 1.252 36 P CA -0.217 62.931 63.100 0.080 0.000 0.811 36 P CB 0.972 32.724 31.700 0.087 0.000 1.035 37 L N 0.570 121.814 121.223 0.036 0.000 2.350 37 L HA 0.548 4.887 4.340 -0.000 0.000 0.260 37 L C -0.335 176.514 176.870 -0.036 0.000 1.015 37 L CA -1.044 53.797 54.840 0.001 0.000 0.821 37 L CB 2.038 44.105 42.059 0.013 0.000 1.370 37 L HN 0.184 nan 8.230 nan 0.000 0.416 38 L N 2.995 124.178 121.223 -0.067 0.000 2.343 38 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 38 L C -0.884 175.919 176.870 -0.111 0.000 0.996 38 L CA -0.399 54.384 54.840 -0.096 0.000 0.831 38 L CB 1.776 43.773 42.059 -0.102 0.000 1.232 38 L HN 0.367 nan 8.230 nan 0.000 0.413 39 L N 4.951 126.110 121.223 -0.107 0.000 2.261 39 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 39 L C -0.428 176.357 176.870 -0.141 0.000 1.059 39 L CA -0.511 54.258 54.840 -0.118 0.000 0.816 39 L CB 1.281 43.289 42.059 -0.084 0.000 1.191 39 L HN 0.406 nan 8.230 nan 0.000 0.431 40 L N 3.832 124.947 121.223 -0.180 0.000 2.265 40 L HA 0.423 4.763 4.340 -0.000 0.000 0.289 40 L C -0.489 176.259 176.870 -0.204 0.000 1.033 40 L CA 0.104 54.816 54.840 -0.214 0.000 0.814 40 L CB 1.185 43.058 42.059 -0.309 0.000 1.203 40 L HN 0.388 nan 8.230 nan 0.000 0.423 41 D N 3.896 124.191 120.400 -0.175 0.000 2.427 41 D HA 0.183 4.823 4.640 -0.000 0.000 0.226 41 D C 0.721 176.921 176.300 -0.166 0.000 1.076 41 D CA -0.316 53.591 54.000 -0.155 0.000 0.849 41 D CB 1.179 41.907 40.800 -0.119 0.000 1.052 41 D HN 0.750 nan 8.370 nan 0.000 0.515 42 C N 2.627 121.816 119.300 -0.184 0.000 2.419 42 C HA -0.087 4.373 4.460 -0.000 0.000 0.283 42 C C 1.954 176.858 174.990 -0.144 0.000 1.373 42 C CA 0.146 59.051 59.018 -0.187 0.000 1.781 42 C CB -0.399 27.210 27.740 -0.218 0.000 1.886 42 C HN 0.650 nan 8.230 nan 0.000 0.520 43 D N 0.694 121.025 120.400 -0.116 0.000 2.144 43 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 43 D C 2.145 178.394 176.300 -0.086 0.000 0.984 43 D CA 1.100 55.049 54.000 -0.085 0.000 0.834 43 D CB -0.226 40.534 40.800 -0.067 0.000 0.955 43 D HN 0.318 nan 8.370 nan 0.000 0.465 44 V N 1.422 121.273 119.914 -0.104 0.000 2.453 44 V HA -0.164 3.955 4.120 -0.000 0.000 0.247 44 V C 2.455 178.478 176.094 -0.119 0.000 1.048 44 V CA 0.619 62.852 62.300 -0.111 0.000 1.049 44 V CB -0.104 31.644 31.823 -0.125 0.000 0.672 44 V HN 0.146 nan 8.190 nan 0.000 0.457 45 I N 0.419 120.908 120.570 -0.135 0.000 2.118 45 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 45 I C 2.665 178.732 176.117 -0.085 0.000 1.070 45 I CA 1.899 63.113 61.300 -0.144 0.000 1.327 45 I CB -1.214 36.669 38.000 -0.196 0.000 1.034 45 I HN 0.331 nan 8.210 nan 0.000 0.405 46 R N 0.191 120.644 120.500 -0.078 0.000 2.073 46 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 46 R C 2.289 178.609 176.300 0.032 0.000 1.134 46 R CA 1.302 57.389 56.100 -0.020 0.000 0.952 46 R CB -0.368 29.909 30.300 -0.039 0.000 0.850 46 R HN 0.506 nan 8.270 nan 0.000 0.433 47 Q N 0.107 119.899 119.800 -0.012 0.000 2.077 47 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 47 Q C 2.290 178.294 176.000 0.008 0.000 0.989 47 Q CA 1.467 57.264 55.803 -0.010 0.000 0.853 47 Q CB -0.002 28.708 28.738 -0.046 0.000 0.907 47 Q HN 0.292 nan 8.270 nan 0.000 0.418 48 Q N -0.476 119.311 119.800 -0.023 0.000 2.050 48 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 48 Q C 1.896 177.999 176.000 0.172 0.000 0.980 48 Q CA 1.391 57.187 55.803 -0.011 0.000 0.840 48 Q CB -0.587 28.036 28.738 -0.192 0.000 0.898 48 Q HN 0.498 nan 8.270 nan 0.000 0.424 49 Y N 1.781 122.086 120.300 0.008 0.000 2.128 49 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 49 Y C 2.346 178.240 175.900 -0.010 0.000 1.154 49 Y CA 1.859 59.956 58.100 -0.005 0.000 1.149 49 Y CB -0.053 38.365 38.460 -0.070 0.000 0.976 49 Y HN 0.012 nan 8.280 nan 0.000 0.505 50 R N -0.151 120.386 120.500 0.062 0.000 2.081 50 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 50 R C 2.532 178.781 176.300 -0.084 0.000 1.131 50 R CA 1.151 57.234 56.100 -0.028 0.000 0.960 50 R CB -0.663 29.665 30.300 0.046 0.000 0.856 50 R HN 0.452 nan 8.270 nan 0.000 0.436 51 A N 1.172 123.986 122.820 -0.010 0.000 1.902 51 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 51 A C 2.072 179.602 177.584 -0.090 0.000 1.181 51 A CA 1.054 53.098 52.037 0.011 0.000 0.623 51 A CB -0.420 18.660 19.000 0.133 0.000 0.818 51 A HN 0.213 nan 8.150 nan 0.000 0.443 52 L N -0.071 121.066 121.223 -0.143 0.000 2.056 52 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 52 L C 2.290 178.906 176.870 -0.424 0.000 1.078 52 L CA 2.504 57.084 54.840 -0.432 0.000 0.749 52 L CB -0.595 41.145 42.059 -0.531 0.000 0.901 52 L HN 0.458 nan 8.230 nan 0.000 0.433 53 K N -0.700 119.430 120.400 -0.449 0.000 2.074 53 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 53 K C 2.127 178.581 176.600 -0.242 0.000 1.048 53 K CA 1.751 57.802 56.287 -0.393 0.000 0.926 53 K CB -0.270 31.955 32.500 -0.459 0.000 0.713 53 K HN 0.425 nan 8.250 nan 0.000 0.444 54 N N -0.012 118.572 118.700 -0.193 0.000 2.270 54 N HA -0.090 4.649 4.740 -0.000 0.000 0.181 54 N C 1.460 176.891 175.510 -0.132 0.000 1.016 54 N CA 1.065 54.038 53.050 -0.129 0.000 0.870 54 N CB 0.065 38.500 38.487 -0.087 0.000 0.979 54 N HN 0.297 nan 8.380 nan 0.000 0.431 55 A N 0.261 122.975 122.820 -0.177 0.000 2.016 55 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 55 A C 1.156 178.628 177.584 -0.185 0.000 1.162 55 A CA 0.580 52.511 52.037 -0.178 0.000 0.662 55 A CB 0.130 18.986 19.000 -0.240 0.000 0.812 55 A HN 0.256 nan 8.150 nan 0.000 0.450 56 L N 1.346 122.436 121.223 -0.222 0.000 2.529 56 L HA 0.272 4.612 4.340 -0.000 0.000 0.246 56 L C -2.677 174.103 176.870 -0.151 0.000 1.394 56 L CA -1.843 52.880 54.840 -0.195 0.000 0.906 56 L CB 1.842 43.736 42.059 -0.275 0.000 1.170 56 L HN 0.100 nan 8.230 nan 0.000 0.501 57 P HA 0.120 nan 4.420 nan 0.000 0.274 57 P C -0.323 176.944 177.300 -0.056 0.000 1.231 57 P CA 0.164 63.215 63.100 -0.083 0.000 0.790 57 P CB 0.617 32.279 31.700 -0.063 0.000 0.951 58 N N -1.886 116.789 118.700 -0.041 0.000 2.747 58 N HA -0.111 4.629 4.740 -0.000 0.000 0.249 58 N C -0.923 174.588 175.510 0.003 0.000 1.107 58 N CA 0.305 53.348 53.050 -0.011 0.000 0.707 58 N CB -1.470 37.016 38.487 -0.001 0.000 1.054 58 N HN 0.156 nan 8.380 nan 0.000 0.555 59 V N 0.486 120.389 119.914 -0.020 0.000 2.531 59 V HA 0.341 4.461 4.120 -0.000 0.000 0.301 59 V C 0.421 176.518 176.094 0.006 0.000 1.034 59 V CA -0.633 61.667 62.300 0.000 0.000 0.865 59 V CB 2.037 33.840 31.823 -0.033 0.000 0.995 59 V HN 0.084 nan 8.190 nan 0.000 0.424 60 T N 6.738 121.336 114.554 0.074 0.000 2.779 60 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 60 T C -0.029 174.730 174.700 0.100 0.000 0.938 60 T CA 0.034 62.181 62.100 0.079 0.000 1.119 60 T CB 0.033 68.997 68.868 0.159 0.000 0.891 60 T HN 0.357 nan 8.240 nan 0.000 0.526 61 L N 4.804 126.035 121.223 0.013 0.000 2.255 61 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 61 L C 0.002 176.867 176.870 -0.009 0.000 1.046 61 L CA -0.682 54.187 54.840 0.048 0.000 0.816 61 L CB 0.160 42.213 42.059 -0.010 0.000 1.197 61 L HN 0.666 nan 8.230 nan 0.000 0.427 62 H N 2.513 121.606 119.070 0.040 0.000 2.741 62 H HA 0.143 4.699 4.556 -0.000 0.000 0.282 62 H C -0.499 174.868 175.328 0.065 0.000 1.122 62 H CA -0.425 55.626 56.048 0.005 0.000 1.293 62 H CB 0.282 30.058 29.762 0.023 0.000 1.415 62 H HN 0.358 nan 8.280 nan 0.000 0.472 63 Y N 2.816 123.076 120.300 -0.066 0.000 2.729 63 Y HA 0.175 4.725 4.550 -0.000 0.000 0.331 63 Y C 0.049 176.048 175.900 0.164 0.000 1.208 63 Y CA -1.029 57.105 58.100 0.057 0.000 1.521 63 Y CB 0.110 38.567 38.460 -0.005 0.000 1.233 63 Y HN 0.692 nan 8.280 nan 0.000 0.539 64 A N 7.510 130.074 122.820 -0.427 0.000 2.396 64 A HA 0.279 4.599 4.320 -0.000 0.000 0.279 64 A C 0.692 177.771 177.584 -0.841 0.000 1.165 64 A CA -0.546 51.241 52.037 -0.417 0.000 0.824 64 A CB 0.020 18.909 19.000 -0.185 0.000 1.100 64 A HN 0.948 nan 8.150 nan 0.000 0.516 65 L N 2.627 123.561 121.223 -0.482 0.000 2.131 65 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 65 L C 2.380 179.114 176.870 -0.226 0.000 1.092 65 L CA 1.758 56.405 54.840 -0.323 0.000 0.759 65 L CB -0.558 41.451 42.059 -0.083 0.000 0.903 65 L HN 0.802 nan 8.230 nan 0.000 0.435 66 K N -0.214 120.078 120.400 -0.179 0.000 2.071 66 K HA -0.225 4.094 4.320 -0.000 0.000 0.217 66 K C -0.390 176.139 176.600 -0.118 0.000 1.054 66 K CA 2.207 58.452 56.287 -0.070 0.000 0.937 66 K CB -1.499 31.018 32.500 0.028 0.000 0.719 66 K HN 0.368 nan 8.250 nan 0.000 0.454 67 P HA -0.097 nan 4.420 nan 0.000 0.221 67 P C 0.068 177.166 177.300 -0.337 0.000 1.150 67 P CA 1.068 63.699 63.100 -0.782 0.000 0.800 67 P CB 0.287 31.343 31.700 -1.074 0.000 0.787 68 L N 0.670 121.826 121.223 -0.112 0.000 2.491 68 L HA 0.376 4.715 4.340 -0.000 0.000 0.260 68 L C -2.838 174.114 176.870 0.137 0.000 1.200 68 L CA -1.648 53.211 54.840 0.032 0.000 0.882 68 L CB 1.542 43.637 42.059 0.061 0.000 1.058 68 L HN -0.259 nan 8.230 nan 0.000 0.487 69 P HA 0.150 nan 4.420 nan 0.000 0.220 69 P C -0.728 176.624 177.300 0.087 0.000 1.806 69 P CA 0.141 63.287 63.100 0.076 0.000 0.976 69 P CB -0.297 31.405 31.700 0.004 0.000 1.952 70 H N 3.074 122.171 119.070 0.045 0.000 2.476 70 H HA 0.260 4.816 4.556 -0.000 0.000 0.328 70 H C -1.741 173.580 175.328 -0.012 0.000 1.073 70 H CA -2.240 53.809 56.048 0.001 0.000 1.229 70 H CB 2.041 31.792 29.762 -0.019 0.000 1.432 70 H HN -0.033 nan 8.280 nan 0.000 0.477 71 P HA -0.160 nan 4.420 nan 0.000 0.216 71 P C 1.620 179.005 177.300 0.141 0.000 1.150 71 P CA 0.687 63.814 63.100 0.046 0.000 0.837 71 P CB 0.476 32.153 31.700 -0.039 0.000 0.786 72 V N -0.322 119.798 119.914 0.344 0.000 2.427 72 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 72 V C 2.632 178.701 176.094 -0.041 0.000 1.051 72 V CA 1.507 63.861 62.300 0.089 0.000 1.048 72 V CB -1.077 30.730 31.823 -0.027 0.000 0.666 72 V HN -0.042 nan 8.190 nan 0.000 0.456 73 V N -0.317 119.582 119.914 -0.027 0.000 2.295 73 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 73 V C 2.426 178.493 176.094 -0.045 0.000 1.049 73 V CA 1.901 64.136 62.300 -0.108 0.000 1.024 73 V CB -0.438 31.326 31.823 -0.098 0.000 0.648 73 V HN 0.401 nan 8.190 nan 0.000 0.447 74 V N -0.044 119.900 119.914 0.050 0.000 2.255 74 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 74 V C 2.622 178.734 176.094 0.029 0.000 1.051 74 V CA 2.238 64.562 62.300 0.040 0.000 1.018 74 V CB -0.801 30.943 31.823 -0.131 0.000 0.641 74 V HN 0.470 nan 8.190 nan 0.000 0.445 75 R N -0.412 120.084 120.500 -0.006 0.000 2.091 75 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 75 R C 2.412 178.704 176.300 -0.013 0.000 1.136 75 R CA 1.997 58.100 56.100 0.006 0.000 0.959 75 R CB -0.848 29.462 30.300 0.017 0.000 0.856 75 R HN 0.512 nan 8.270 nan 0.000 0.437 76 T N 1.737 116.243 114.554 -0.079 0.000 2.684 76 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 76 T C 1.926 176.547 174.700 -0.132 0.000 1.036 76 T CA 1.133 63.152 62.100 -0.135 0.000 1.148 76 T CB -0.136 68.618 68.868 -0.190 0.000 0.863 76 T HN 0.135 nan 8.240 nan 0.000 0.436 77 L N 0.231 121.381 121.223 -0.121 0.000 2.056 77 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 77 L C 2.435 179.233 176.870 -0.120 0.000 1.078 77 L CA 0.596 55.300 54.840 -0.226 0.000 0.749 77 L CB -0.519 41.409 42.059 -0.218 0.000 0.901 77 L HN 0.215 nan 8.230 nan 0.000 0.433 78 L N 0.472 121.808 121.223 0.188 0.000 2.012 78 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 78 L C 2.607 179.497 176.870 0.033 0.000 1.073 78 L CA 2.149 57.109 54.840 0.200 0.000 0.748 78 L CB -0.679 41.505 42.059 0.209 0.000 0.891 78 L HN 0.162 nan 8.230 nan 0.000 0.431 79 A N -1.171 121.654 122.820 0.008 0.000 1.969 79 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 79 A C 2.211 179.768 177.584 -0.046 0.000 1.169 79 A CA 1.571 53.611 52.037 0.005 0.000 0.635 79 A CB -0.596 18.426 19.000 0.036 0.000 0.810 79 A HN 0.539 nan 8.150 nan 0.000 0.445 80 E N -1.149 118.971 120.200 -0.135 0.000 2.358 80 E HA 0.181 4.531 4.350 -0.000 0.000 0.195 80 E C 1.148 177.633 176.600 -0.193 0.000 1.010 80 E CA 1.000 57.283 56.400 -0.195 0.000 0.856 80 E CB -0.150 29.338 29.700 -0.352 0.000 0.795 80 E HN 0.770 nan 8.360 nan 0.000 0.504 81 G N -1.122 107.563 108.800 -0.190 0.000 2.168 81 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.197 81 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.197 81 G C 0.347 175.147 174.900 -0.167 0.000 0.997 81 G CA 0.037 45.072 45.100 -0.108 0.000 0.658 81 G HN 0.551 nan 8.290 nan 0.000 0.513 82 A N 0.044 122.615 122.820 -0.415 0.000 2.366 82 A HA 0.811 5.131 4.320 -0.000 0.000 0.249 82 A C 0.908 178.168 177.584 -0.539 0.000 1.084 82 A CA 1.118 52.856 52.037 -0.498 0.000 0.794 82 A CB 0.558 19.073 19.000 -0.808 0.000 1.034 82 A HN 0.982 nan 8.150 nan 0.000 0.491 83 S N -1.078 114.250 115.700 -0.621 0.000 2.768 83 S HA 0.858 5.328 4.470 -0.000 0.000 0.300 83 S C -1.018 172.994 174.600 -0.979 0.000 1.122 83 S CA -0.153 57.626 58.200 -0.703 0.000 0.995 83 S CB 0.560 63.183 63.200 -0.961 0.000 1.195 83 S HN 0.479 nan 8.310 nan 0.000 0.547 84 F N 0.572 120.549 119.950 0.044 0.000 2.601 84 F HA 0.428 4.955 4.527 -0.000 0.000 0.309 84 F C -0.635 175.317 175.800 0.253 0.000 1.089 84 F CA -0.983 57.124 58.000 0.179 0.000 0.940 84 F CB 1.588 40.670 39.000 0.137 0.000 1.273 84 F HN 0.397 nan 8.300 nan 0.000 0.450 85 D N 2.741 123.318 120.400 0.295 0.000 2.425 85 D HA 0.568 5.208 4.640 -0.000 0.000 0.240 85 D C -1.392 174.917 176.300 0.015 0.000 1.080 85 D CA -0.114 53.953 54.000 0.112 0.000 0.836 85 D CB 0.912 41.736 40.800 0.040 0.000 1.125 85 D HN 0.450 nan 8.370 nan 0.000 0.525 86 L N 2.591 123.784 121.223 -0.050 0.000 2.334 86 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 86 L C 0.782 177.423 176.870 -0.380 0.000 1.013 86 L CA -0.934 53.813 54.840 -0.156 0.000 0.816 86 L CB 1.953 43.947 42.059 -0.108 0.000 1.278 86 L HN 0.571 nan 8.230 nan 0.000 0.431 87 A N 0.776 123.390 122.820 -0.343 0.000 2.312 87 A HA 0.345 4.665 4.320 -0.000 0.000 0.215 87 A C 0.516 177.992 177.584 -0.180 0.000 1.256 87 A CA 0.584 52.427 52.037 -0.323 0.000 0.966 87 A CB 0.489 19.417 19.000 -0.121 0.000 1.053 87 A HN 0.730 nan 8.150 nan 0.000 0.510 88 T N -5.393 109.095 114.554 -0.110 0.000 2.843 88 T HA 0.398 4.747 4.350 -0.000 0.000 0.302 88 T C 0.717 175.467 174.700 0.084 0.000 1.232 88 T CA 0.463 62.605 62.100 0.069 0.000 1.009 88 T CB 0.932 69.830 68.868 0.050 0.000 1.254 88 T HN -0.125 nan 8.240 nan 0.000 0.504 89 T N 1.195 115.813 114.554 0.108 0.000 2.699 89 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 89 T C 2.264 176.965 174.700 0.002 0.000 1.036 89 T CA 2.184 64.322 62.100 0.063 0.000 1.147 89 T CB -1.056 67.841 68.868 0.047 0.000 0.862 89 T HN 0.916 nan 8.240 nan 0.000 0.446 90 G N 1.210 110.008 108.800 -0.003 0.000 2.440 90 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 90 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 90 G C 1.462 176.327 174.900 -0.058 0.000 1.154 90 G CA 0.845 45.928 45.100 -0.028 0.000 0.767 90 G HN 0.544 nan 8.290 nan 0.000 0.552 91 E N -0.119 120.045 120.200 -0.060 0.000 2.107 91 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 91 E C 2.739 179.251 176.600 -0.147 0.000 0.982 91 E CA 0.667 57.012 56.400 -0.091 0.000 0.809 91 E CB -0.114 29.535 29.700 -0.085 0.000 0.756 91 E HN 0.296 nan 8.360 nan 0.000 0.459 92 V N 1.858 121.690 119.914 -0.137 0.000 2.287 92 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 92 V C 2.089 177.953 176.094 -0.383 0.000 1.053 92 V CA 2.035 64.171 62.300 -0.274 0.000 1.027 92 V CB -0.470 31.286 31.823 -0.111 0.000 0.646 92 V HN 0.254 nan 8.190 nan 0.000 0.447 93 E N -0.459 119.615 120.200 -0.210 0.000 2.110 93 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 93 E C 2.104 178.596 176.600 -0.179 0.000 0.988 93 E CA 1.329 57.624 56.400 -0.174 0.000 0.804 93 E CB -0.225 29.419 29.700 -0.092 0.000 0.745 93 E HN 0.426 nan 8.360 nan 0.000 0.458 94 L N 1.055 122.178 121.223 -0.166 0.000 1.994 94 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 94 L C 2.481 179.233 176.870 -0.198 0.000 1.071 94 L CA 1.693 56.444 54.840 -0.149 0.000 0.745 94 L CB -0.746 41.241 42.059 -0.120 0.000 0.892 94 L HN 0.120 nan 8.230 nan 0.000 0.431 95 V N -2.014 117.734 119.914 -0.277 0.000 2.407 95 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 95 V C 2.544 178.482 176.094 -0.260 0.000 1.055 95 V CA 1.518 63.623 62.300 -0.326 0.000 1.049 95 V CB -2.015 29.579 31.823 -0.382 0.000 0.662 95 V HN 0.473 nan 8.190 nan 0.000 0.455 96 A N 1.810 124.406 122.820 -0.373 0.000 1.908 96 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 96 A C 2.607 180.154 177.584 -0.061 0.000 1.181 96 A CA 2.825 54.750 52.037 -0.186 0.000 0.627 96 A CB -1.164 17.680 19.000 -0.260 0.000 0.818 96 A HN 1.018 nan 8.150 nan 0.000 0.445 97 S N -0.609 115.034 115.700 -0.094 0.000 2.447 97 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 97 S C 1.101 175.678 174.600 -0.039 0.000 1.006 97 S CA 1.210 59.378 58.200 -0.052 0.000 0.957 97 S CB -0.162 63.003 63.200 -0.058 0.000 0.773 97 S HN 0.514 nan 8.310 nan 0.000 0.507 98 E N 0.957 121.120 120.200 -0.062 0.000 2.463 98 E HA 0.255 4.605 4.350 -0.000 0.000 0.193 98 E C 1.188 177.774 176.600 -0.024 0.000 1.041 98 E CA 0.410 56.782 56.400 -0.046 0.000 0.879 98 E CB -0.097 29.555 29.700 -0.079 0.000 0.997 98 E HN 0.683 nan 8.360 nan 0.000 0.478 99 G N 1.237 110.035 108.800 -0.002 0.000 2.160 99 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 99 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 99 G C 0.424 175.352 174.900 0.047 0.000 1.008 99 G CA 0.364 45.483 45.100 0.032 0.000 0.724 99 G HN 0.188 nan 8.290 nan 0.000 0.514 100 V N 1.563 121.495 119.914 0.031 0.000 2.479 100 V HA 0.281 4.401 4.120 -0.000 0.000 0.281 100 V C -1.152 175.045 176.094 0.172 0.000 1.031 100 V CA -0.915 61.423 62.300 0.064 0.000 1.038 100 V CB 0.990 32.766 31.823 -0.079 0.000 0.981 100 V HN 0.194 nan 8.190 nan 0.000 0.478 101 P HA 0.155 nan 4.420 nan 0.000 0.268 101 P C 0.562 177.888 177.300 0.043 0.000 1.204 101 P CA -0.056 63.082 63.100 0.064 0.000 0.768 101 P CB 0.909 32.638 31.700 0.049 0.000 0.842 102 A N 3.716 126.417 122.820 -0.199 0.000 2.019 102 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 102 A C 1.616 179.145 177.584 -0.091 0.000 1.164 102 A CA 1.880 53.677 52.037 -0.401 0.000 0.644 102 A CB -1.118 17.375 19.000 -0.846 0.000 0.805 102 A HN 0.635 nan 8.150 nan 0.000 0.449 103 D N 0.038 120.412 120.400 -0.044 0.000 2.350 103 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 103 D C 1.217 177.566 176.300 0.082 0.000 0.968 103 D CA 0.583 54.592 54.000 0.014 0.000 0.894 103 D CB -0.540 40.263 40.800 0.005 0.000 0.909 103 D HN 0.483 nan 8.370 nan 0.000 0.520 104 L N 0.282 121.580 121.223 0.124 0.000 2.611 104 L HA 0.182 4.522 4.340 -0.000 0.000 0.229 104 L C 0.704 177.739 176.870 0.275 0.000 1.137 104 L CA 0.126 55.067 54.840 0.167 0.000 0.901 104 L CB -0.253 41.929 42.059 0.206 0.000 1.098 104 L HN 0.105 nan 8.230 nan 0.000 0.456 105 T N -1.049 113.673 114.554 0.280 0.000 2.908 105 T HA 0.698 5.048 4.350 -0.000 0.000 0.290 105 T C -0.431 174.387 174.700 0.197 0.000 1.034 105 T CA -0.669 61.626 62.100 0.325 0.000 1.010 105 T CB 2.525 71.603 68.868 0.349 0.000 1.068 105 T HN 0.137 nan 8.240 nan 0.000 0.481 106 I N -0.608 120.046 120.570 0.140 0.000 2.730 106 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 106 I C -1.028 175.064 176.117 -0.043 0.000 1.089 106 I CA -1.154 60.115 61.300 -0.051 0.000 1.041 106 I CB 2.453 40.332 38.000 -0.202 0.000 1.235 106 I HN 0.724 nan 8.210 nan 0.000 0.423 107 H N 4.115 123.036 119.070 -0.248 0.000 2.504 107 H HA 0.370 4.926 4.556 -0.000 0.000 0.322 107 H C -0.297 174.990 175.328 -0.069 0.000 1.055 107 H CA 0.003 55.959 56.048 -0.153 0.000 1.231 107 H CB 1.914 31.514 29.762 -0.269 0.000 1.417 107 H HN 0.901 nan 8.280 nan 0.000 0.472 108 T N 0.722 115.262 114.554 -0.024 0.000 3.132 108 T HA 0.063 4.413 4.350 -0.000 0.000 0.274 108 T C 0.437 175.126 174.700 -0.017 0.000 1.011 108 T CA -0.391 61.700 62.100 -0.015 0.000 0.899 108 T CB -0.606 68.188 68.868 -0.124 0.000 1.089 108 T HN 0.629 nan 8.240 nan 0.000 0.543 109 H N 2.629 121.724 119.070 0.043 0.000 2.819 109 H HA 0.258 4.814 4.556 -0.000 0.000 0.303 109 H C -1.815 173.502 175.328 -0.018 0.000 1.058 109 H CA -1.921 54.106 56.048 -0.036 0.000 1.471 109 H CB 1.337 31.160 29.762 0.102 0.000 1.480 109 H HN -0.021 nan 8.280 nan 0.000 0.517 110 P HA -0.058 nan 4.420 nan 0.000 0.226 110 P C -0.530 176.903 177.300 0.221 0.000 1.153 110 P CA 0.914 64.016 63.100 0.004 0.000 0.777 110 P CB 0.480 32.006 31.700 -0.290 0.000 0.794 111 I N 0.166 120.983 120.570 0.412 0.000 2.468 111 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 111 I C -0.088 176.015 176.117 -0.024 0.000 1.038 111 I CA -0.743 60.693 61.300 0.227 0.000 1.083 111 I CB 1.687 39.880 38.000 0.321 0.000 1.223 111 I HN -0.184 nan 8.210 nan 0.000 0.443 112 K N 5.565 125.945 120.400 -0.034 0.000 2.371 112 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 112 K C -0.414 176.106 176.600 -0.133 0.000 0.934 112 K CA -0.878 55.332 56.287 -0.129 0.000 0.798 112 K CB 3.015 35.440 32.500 -0.124 0.000 1.204 112 K HN 0.412 nan 8.250 nan 0.000 0.427 113 R N 0.796 121.217 120.500 -0.132 0.000 2.615 113 R HA -0.004 4.336 4.340 -0.000 0.000 0.270 113 R C 0.708 176.912 176.300 -0.160 0.000 1.081 113 R CA -0.265 55.766 56.100 -0.114 0.000 1.154 113 R CB 0.350 30.602 30.300 -0.080 0.000 1.063 113 R HN 0.723 nan 8.270 nan 0.000 0.519 114 D N 1.651 121.969 120.400 -0.137 0.000 2.133 114 D HA -0.234 4.405 4.640 -0.000 0.000 0.192 114 D C 1.698 177.905 176.300 -0.155 0.000 1.001 114 D CA 2.231 56.145 54.000 -0.144 0.000 0.844 114 D CB 0.065 40.830 40.800 -0.058 0.000 0.944 114 D HN 0.613 nan 8.370 nan 0.000 0.447 115 A N 0.296 123.057 122.820 -0.099 0.000 1.940 115 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 115 A C 1.927 179.453 177.584 -0.096 0.000 1.176 115 A CA 2.055 54.046 52.037 -0.077 0.000 0.631 115 A CB -0.636 18.339 19.000 -0.043 0.000 0.814 115 A HN 0.282 nan 8.150 nan 0.000 0.446 116 D N -0.052 120.279 120.400 -0.115 0.000 2.117 116 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 116 D C 1.862 178.059 176.300 -0.171 0.000 0.987 116 D CA 1.229 55.175 54.000 -0.089 0.000 0.829 116 D CB -0.322 40.427 40.800 -0.085 0.000 0.961 116 D HN 0.557 nan 8.370 nan 0.000 0.460 117 I N 0.749 121.108 120.570 -0.352 0.000 2.202 117 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 117 I C 2.564 178.430 176.117 -0.418 0.000 1.091 117 I CA 0.907 61.843 61.300 -0.606 0.000 1.368 117 I CB -0.082 37.311 38.000 -1.012 0.000 1.058 117 I HN -0.121 nan 8.210 nan 0.000 0.410 118 R N 0.674 120.962 120.500 -0.352 0.000 2.081 118 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 118 R C 1.917 178.190 176.300 -0.045 0.000 1.131 118 R CA 1.652 57.634 56.100 -0.196 0.000 0.960 118 R CB -0.466 29.781 30.300 -0.089 0.000 0.856 118 R HN 0.365 nan 8.270 nan 0.000 0.436 119 D N 0.677 121.068 120.400 -0.015 0.000 2.123 119 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 119 D C 1.814 178.189 176.300 0.125 0.000 0.992 119 D CA 1.636 55.666 54.000 0.050 0.000 0.833 119 D CB -0.272 40.555 40.800 0.045 0.000 0.954 119 D HN 0.261 nan 8.370 nan 0.000 0.455 120 A N 0.617 123.537 122.820 0.166 0.000 1.898 120 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 120 A C 2.412 180.170 177.584 0.289 0.000 1.181 120 A CA 0.739 52.953 52.037 0.294 0.000 0.620 120 A CB -0.773 18.456 19.000 0.383 0.000 0.819 120 A HN 0.185 nan 8.150 nan 0.000 0.442 121 L N -0.691 120.675 121.223 0.237 0.000 2.083 121 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 121 L C 3.086 180.028 176.870 0.120 0.000 1.083 121 L CA 1.019 55.962 54.840 0.172 0.000 0.752 121 L CB -0.499 41.609 42.059 0.082 0.000 0.899 121 L HN 0.463 nan 8.230 nan 0.000 0.433 122 A N -0.638 122.252 122.820 0.117 0.000 1.933 122 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 122 A C 2.178 179.848 177.584 0.143 0.000 1.175 122 A CA 1.669 53.770 52.037 0.108 0.000 0.628 122 A CB -0.849 18.206 19.000 0.092 0.000 0.814 122 A HN 0.514 nan 8.150 nan 0.000 0.444 123 Y N -0.067 120.262 120.300 0.048 0.000 2.242 123 Y HA 0.160 4.710 4.550 -0.000 0.000 0.291 123 Y C 1.668 177.594 175.900 0.042 0.000 1.137 123 Y CA 1.597 59.722 58.100 0.041 0.000 1.181 123 Y CB -0.258 38.228 38.460 0.043 0.000 0.989 123 Y HN 0.503 nan 8.280 nan 0.000 0.527 124 G N -1.777 106.941 108.800 -0.136 0.000 2.273 124 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.162 124 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.162 124 G C -0.154 174.643 174.900 -0.172 0.000 1.006 124 G CA -0.279 44.697 45.100 -0.207 0.000 0.704 124 G HN 0.541 nan 8.290 nan 0.000 0.487 125 C N 2.738 121.982 119.300 -0.093 0.000 2.651 125 C HA 0.566 5.026 4.460 -0.000 0.000 0.410 125 C C 1.395 176.332 174.990 -0.088 0.000 1.372 125 C CA 0.678 59.671 59.018 -0.041 0.000 1.707 125 C CB -0.619 27.191 27.740 0.118 0.000 2.501 125 C HN 0.607 nan 8.230 nan 0.000 0.598 126 N N 3.721 122.347 118.700 -0.124 0.000 2.197 126 N HA 0.156 4.896 4.740 -0.000 0.000 0.228 126 N C -0.879 174.571 175.510 -0.100 0.000 1.212 126 N CA -0.156 52.893 53.050 -0.001 0.000 0.883 126 N CB 0.174 38.710 38.487 0.080 0.000 1.107 126 N HN 0.360 nan 8.380 nan 0.000 0.519 127 V N 1.423 121.119 119.914 -0.364 0.000 2.398 127 V HA 0.556 4.676 4.120 -0.000 0.000 0.286 127 V C -0.947 174.802 176.094 -0.575 0.000 1.026 127 V CA -0.470 61.659 62.300 -0.284 0.000 0.868 127 V CB 0.445 32.167 31.823 -0.169 0.000 0.982 127 V HN 0.032 nan 8.190 nan 0.000 0.443 128 F N 2.657 122.559 119.950 -0.081 0.000 2.640 128 F HA 0.725 5.252 4.527 -0.000 0.000 0.324 128 F C -0.110 175.629 175.800 -0.102 0.000 1.077 128 F CA -0.993 56.974 58.000 -0.054 0.000 0.965 128 F CB 2.086 41.026 39.000 -0.100 0.000 1.351 128 F HN 0.144 nan 8.300 nan 0.000 0.487 129 V N 2.214 122.246 119.914 0.197 0.000 2.581 129 V HA 0.753 4.873 4.120 -0.000 0.000 0.303 129 V C -0.824 175.336 176.094 0.110 0.000 1.041 129 V CA -0.790 61.558 62.300 0.080 0.000 0.907 129 V CB 1.879 33.724 31.823 0.037 0.000 0.994 129 V HN 0.625 nan 8.190 nan 0.000 0.442 130 V N 0.992 120.944 119.914 0.063 0.000 2.823 130 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 130 V C -0.324 175.817 176.094 0.079 0.000 1.072 130 V CA -0.544 61.821 62.300 0.108 0.000 0.937 130 V CB 2.149 34.046 31.823 0.124 0.000 1.013 130 V HN 0.873 nan 8.190 nan 0.000 0.430 131 D N 0.673 121.135 120.400 0.103 0.000 2.556 131 D HA 0.214 4.853 4.640 -0.000 0.000 0.237 131 D C -0.167 176.184 176.300 0.086 0.000 1.296 131 D CA 0.362 54.414 54.000 0.086 0.000 0.807 131 D CB -0.257 40.608 40.800 0.108 0.000 1.084 131 D HN 0.935 nan 8.370 nan 0.000 0.510 132 N N -1.346 117.414 118.700 0.100 0.000 2.961 132 N HA 0.207 4.947 4.740 -0.000 0.000 0.245 132 N C -0.148 175.428 175.510 0.110 0.000 1.404 132 N CA -0.899 52.205 53.050 0.091 0.000 0.880 132 N CB 0.667 39.212 38.487 0.096 0.000 1.461 132 N HN -0.159 nan 8.380 nan 0.000 0.510 133 L N -0.219 121.062 121.223 0.096 0.000 2.141 133 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 133 L C 2.172 179.166 176.870 0.207 0.000 1.094 133 L CA 0.854 55.772 54.840 0.130 0.000 0.763 133 L CB -0.521 41.590 42.059 0.087 0.000 0.908 133 L HN 0.748 nan 8.230 nan 0.000 0.437 134 N N 0.564 119.357 118.700 0.155 0.000 2.084 134 N HA -0.259 4.481 4.740 -0.000 0.000 0.190 134 N C 1.824 177.421 175.510 0.144 0.000 1.030 134 N CA 1.711 54.843 53.050 0.137 0.000 0.849 134 N CB 0.184 38.729 38.487 0.097 0.000 1.012 134 N HN 0.270 nan 8.380 nan 0.000 0.423 135 E N 0.716 121.012 120.200 0.161 0.000 2.051 135 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 135 E C 2.060 178.840 176.600 0.299 0.000 0.991 135 E CA 0.613 57.127 56.400 0.190 0.000 0.799 135 E CB -0.521 29.305 29.700 0.211 0.000 0.748 135 E HN 0.304 nan 8.360 nan 0.000 0.449 136 L N 1.309 122.729 121.223 0.329 0.000 2.043 136 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 136 L C 2.234 179.410 176.870 0.510 0.000 1.075 136 L CA 2.101 57.206 54.840 0.441 0.000 0.752 136 L CB -0.625 41.635 42.059 0.335 0.000 0.891 136 L HN 0.228 nan 8.230 nan 0.000 0.432 137 E N 0.255 120.707 120.200 0.419 0.000 2.160 137 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 137 E C 1.998 178.600 176.600 0.003 0.000 0.991 137 E CA 1.411 57.892 56.400 0.135 0.000 0.810 137 E CB -0.070 29.658 29.700 0.046 0.000 0.742 137 E HN 0.606 nan 8.360 nan 0.000 0.466 138 K N -0.738 119.661 120.400 -0.001 0.000 2.360 138 K HA -0.129 4.191 4.320 -0.000 0.000 0.201 138 K C 1.619 178.040 176.600 -0.298 0.000 1.046 138 K CA 0.938 57.106 56.287 -0.200 0.000 0.945 138 K CB -0.163 32.133 32.500 -0.339 0.000 0.750 138 K HN 0.138 nan 8.250 nan 0.000 0.464 139 F N 0.998 121.002 119.950 0.089 0.000 2.727 139 F HA 0.125 4.652 4.527 -0.000 0.000 0.302 139 F C 1.676 177.521 175.800 0.074 0.000 1.097 139 F CA 0.112 58.197 58.000 0.141 0.000 1.330 139 F CB 0.192 39.261 39.000 0.115 0.000 1.084 139 F HN -0.155 nan 8.300 nan 0.000 0.578 140 K N 0.520 120.963 120.400 0.071 0.000 2.032 140 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 140 K C 2.230 178.748 176.600 -0.138 0.000 1.048 140 K CA 1.454 57.704 56.287 -0.062 0.000 0.927 140 K CB -0.391 31.955 32.500 -0.257 0.000 0.712 140 K HN 0.233 nan 8.250 nan 0.000 0.441 141 A N 0.077 122.712 122.820 -0.308 0.000 2.172 141 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 141 A C 0.870 178.028 177.584 -0.711 0.000 1.154 141 A CA 0.983 52.680 52.037 -0.566 0.000 0.701 141 A CB -0.330 18.192 19.000 -0.797 0.000 0.789 141 A HN 0.377 nan 8.150 nan 0.000 0.465 142 Y N -0.813 119.494 120.300 0.011 0.000 2.682 142 Y HA 0.152 4.702 4.550 -0.000 0.000 0.251 142 Y C 1.851 177.826 175.900 0.125 0.000 1.172 142 Y CA -0.149 57.992 58.100 0.069 0.000 1.186 142 Y CB 0.142 38.650 38.460 0.081 0.000 1.216 142 Y HN 0.439 nan 8.280 nan 0.000 0.540 143 R N -0.477 120.125 120.500 0.170 0.000 2.152 143 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 143 R C 0.438 176.820 176.300 0.137 0.000 1.117 143 R CA 1.944 58.143 56.100 0.166 0.000 0.981 143 R CB -0.285 30.087 30.300 0.119 0.000 0.870 143 R HN 0.100 nan 8.270 nan 0.000 0.451 144 D N 0.637 121.107 120.400 0.116 0.000 2.347 144 D HA -0.063 4.577 4.640 -0.000 0.000 0.215 144 D C 0.536 176.906 176.300 0.116 0.000 0.976 144 D CA 0.842 54.900 54.000 0.097 0.000 0.884 144 D CB 0.080 40.924 40.800 0.072 0.000 0.915 144 D HN 0.358 nan 8.370 nan 0.000 0.526 145 D N -0.420 120.079 120.400 0.165 0.000 2.454 145 D HA 0.035 4.675 4.640 -0.000 0.000 0.214 145 D C 0.826 177.241 176.300 0.192 0.000 1.088 145 D CA 0.173 54.278 54.000 0.176 0.000 0.855 145 D CB 1.454 42.385 40.800 0.219 0.000 1.025 145 D HN 0.116 nan 8.370 nan 0.000 0.502 146 V N -0.410 119.628 119.914 0.207 0.000 2.960 146 V HA 0.736 4.856 4.120 -0.000 0.000 0.315 146 V C -0.890 175.266 176.094 0.105 0.000 1.087 146 V CA -0.944 61.482 62.300 0.210 0.000 0.982 146 V CB 2.563 34.548 31.823 0.269 0.000 1.039 146 V HN 0.045 nan 8.190 nan 0.000 0.437 147 E N 3.366 123.606 120.200 0.067 0.000 2.293 147 E HA 0.728 5.078 4.350 -0.000 0.000 0.270 147 E C -1.603 174.974 176.600 -0.039 0.000 0.879 147 E CA -1.013 55.394 56.400 0.011 0.000 0.756 147 E CB 2.644 32.356 29.700 0.020 0.000 1.208 147 E HN 0.695 nan 8.360 nan 0.000 0.428 148 L N 2.770 123.948 121.223 -0.076 0.000 2.334 148 L HA 0.487 4.827 4.340 -0.000 0.000 0.276 148 L C -0.446 176.384 176.870 -0.066 0.000 1.014 148 L CA -1.185 53.584 54.840 -0.118 0.000 0.815 148 L CB 1.407 43.349 42.059 -0.195 0.000 1.268 148 L HN 0.484 nan 8.230 nan 0.000 0.428 149 L N 2.979 124.168 121.223 -0.058 0.000 2.289 149 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 149 L C -0.427 176.430 176.870 -0.023 0.000 1.049 149 L CA -0.763 54.052 54.840 -0.043 0.000 0.804 149 L CB 1.897 43.922 42.059 -0.058 0.000 1.195 149 L HN 0.272 nan 8.230 nan 0.000 0.428 150 V N 3.906 123.815 119.914 -0.008 0.000 2.364 150 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 150 V C 0.270 176.376 176.094 0.021 0.000 1.036 150 V CA -0.559 61.746 62.300 0.007 0.000 0.880 150 V CB 1.219 33.047 31.823 0.008 0.000 0.991 150 V HN 0.673 nan 8.190 nan 0.000 0.460 151 R N 4.427 124.941 120.500 0.023 0.000 2.254 151 R HA 0.573 4.913 4.340 -0.000 0.000 0.318 151 R C -1.243 175.064 176.300 0.011 0.000 1.031 151 R CA -0.579 55.543 56.100 0.036 0.000 0.905 151 R CB 0.727 31.045 30.300 0.030 0.000 1.050 151 R HN 0.555 nan 8.270 nan 0.000 0.456 152 L N 2.792 124.007 121.223 -0.013 0.000 2.344 152 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 152 L C -0.105 176.513 176.870 -0.420 0.000 1.035 152 L CA 0.018 54.720 54.840 -0.230 0.000 0.807 152 L CB 1.912 43.786 42.059 -0.309 0.000 1.237 152 L HN 0.824 nan 8.230 nan 0.000 0.442 153 S N 0.312 115.670 115.700 -0.570 0.000 2.599 153 S HA 0.856 5.325 4.470 -0.000 0.000 0.294 153 S C -0.794 173.309 174.600 -0.828 0.000 1.094 153 S CA -0.686 57.149 58.200 -0.608 0.000 0.931 153 S CB 1.348 64.442 63.200 -0.177 0.000 1.093 153 S HN 0.219 nan 8.310 nan 0.000 0.488 165 K N 2.502 122.873 120.400 -0.049 0.000 2.382 165 K HA 0.222 4.541 4.320 -0.000 0.000 0.275 165 K C 0.634 177.160 176.600 -0.123 0.000 1.009 165 K CA 0.117 56.371 56.287 -0.055 0.000 0.970 165 K CB 1.178 33.667 32.500 -0.017 0.000 0.934 165 K HN 0.497 nan 8.250 nan 0.000 0.479 166 K N 1.431 121.692 120.400 -0.231 0.000 2.370 166 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 166 K C -0.440 175.808 176.600 -0.586 0.000 1.070 166 K CA 0.347 56.339 56.287 -0.492 0.000 0.998 166 K CB 0.485 32.540 32.500 -0.741 0.000 0.911 166 K HN 0.311 nan 8.250 nan 0.000 0.533 167 F N 0.018 119.970 119.950 0.004 0.000 2.620 167 F HA 0.600 5.127 4.527 -0.000 0.000 0.320 167 F C 0.072 175.865 175.800 -0.011 0.000 1.069 167 F CA -0.461 57.542 58.000 0.005 0.000 0.953 167 F CB 2.170 41.173 39.000 0.005 0.000 1.322 167 F HN 0.115 nan 8.300 nan 0.000 0.479 168 G N 0.325 109.255 108.800 0.215 0.000 2.907 168 G HA2 0.155 4.115 3.960 -0.000 0.000 0.686 168 G HA3 0.155 4.115 3.960 -0.000 0.000 0.686 168 G C -0.776 174.119 174.900 -0.008 0.000 1.115 168 G CA -1.094 44.043 45.100 0.062 0.000 0.760 168 G HN 1.363 nan 8.290 nan 0.000 0.620 169 C N 1.372 120.648 119.300 -0.040 0.000 2.354 169 C HA 0.983 5.442 4.460 -0.000 0.000 0.381 169 C C 1.412 176.334 174.990 -0.113 0.000 1.240 169 C CA 0.049 59.037 59.018 -0.049 0.000 2.089 169 C CB 1.030 28.760 27.740 -0.017 0.000 2.234 169 C HN 2.215 nan 8.230 nan 0.000 0.544 170 S N 0.520 116.173 115.700 -0.079 0.000 2.614 170 S HA 0.364 4.834 4.470 -0.000 0.000 0.265 170 S C -1.834 172.730 174.600 -0.060 0.000 1.303 170 S CA -0.461 57.690 58.200 -0.083 0.000 1.000 170 S CB 0.303 63.479 63.200 -0.040 0.000 0.935 170 S HN 0.697 nan 8.310 nan 0.000 0.551 171 P HA -0.158 nan 4.420 nan 0.000 0.216 171 P C 1.464 178.770 177.300 0.010 0.000 1.153 171 P CA 1.493 64.601 63.100 0.014 0.000 0.858 171 P CB 0.026 31.762 31.700 0.061 0.000 0.789 172 E N -0.258 119.944 120.200 0.003 0.000 2.077 172 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 172 E C 2.042 178.636 176.600 -0.010 0.000 0.989 172 E CA 1.176 57.575 56.400 -0.002 0.000 0.800 172 E CB -0.276 29.423 29.700 -0.003 0.000 0.746 172 E HN 0.274 nan 8.360 nan 0.000 0.452 173 Q N -0.176 119.616 119.800 -0.014 0.000 2.124 173 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 173 Q C 2.164 178.153 176.000 -0.019 0.000 0.977 173 Q CA 1.244 57.037 55.803 -0.017 0.000 0.850 173 Q CB -0.122 28.607 28.738 -0.014 0.000 0.901 173 Q HN 0.341 nan 8.270 nan 0.000 0.429 174 A N 0.895 123.706 122.820 -0.015 0.000 1.902 174 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 174 A C 2.057 179.633 177.584 -0.013 0.000 1.181 174 A CA 1.162 53.194 52.037 -0.010 0.000 0.623 174 A CB -0.693 18.307 19.000 0.001 0.000 0.818 174 A HN 0.294 nan 8.150 nan 0.000 0.443 175 L N -0.536 120.682 121.223 -0.009 0.000 2.046 175 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 175 L C 2.518 179.365 176.870 -0.037 0.000 1.077 175 L CA 1.091 55.922 54.840 -0.015 0.000 0.747 175 L CB -0.572 41.484 42.059 -0.005 0.000 0.896 175 L HN 0.250 nan 8.230 nan 0.000 0.432 176 V N 0.081 119.969 119.914 -0.043 0.000 2.343 176 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 176 V C 2.310 178.342 176.094 -0.103 0.000 1.051 176 V CA 1.838 64.097 62.300 -0.068 0.000 1.036 176 V CB -0.346 31.445 31.823 -0.055 0.000 0.654 176 V HN 0.319 nan 8.190 nan 0.000 0.451 177 I N -0.431 120.092 120.570 -0.080 0.000 2.226 177 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 177 I C 2.251 178.304 176.117 -0.107 0.000 1.100 177 I CA 1.796 63.040 61.300 -0.094 0.000 1.374 177 I CB -0.266 37.711 38.000 -0.038 0.000 1.057 177 I HN 0.242 nan 8.210 nan 0.000 0.413 178 I N 0.255 120.783 120.570 -0.071 0.000 2.286 178 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 178 I C 2.554 178.623 176.117 -0.081 0.000 1.104 178 I CA 1.282 62.548 61.300 -0.057 0.000 1.397 178 I CB -0.310 37.673 38.000 -0.027 0.000 1.072 178 I HN 0.227 nan 8.210 nan 0.000 0.417 179 E N 0.471 120.616 120.200 -0.092 0.000 2.110 179 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 179 E C 2.031 178.520 176.600 -0.185 0.000 0.988 179 E CA 1.804 58.140 56.400 -0.106 0.000 0.804 179 E CB 0.119 29.767 29.700 -0.087 0.000 0.745 179 E HN 0.408 nan 8.360 nan 0.000 0.458 180 T N 0.313 114.694 114.554 -0.289 0.000 2.821 180 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 180 T C 1.851 176.202 174.700 -0.582 0.000 1.046 180 T CA 1.030 62.783 62.100 -0.579 0.000 1.139 180 T CB -0.226 68.178 68.868 -0.772 0.000 0.871 180 T HN 0.288 nan 8.240 nan 0.000 0.454 181 A N 1.757 124.405 122.820 -0.286 0.000 1.940 181 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 181 A C 2.240 179.816 177.584 -0.012 0.000 1.176 181 A CA 1.878 53.871 52.037 -0.075 0.000 0.631 181 A CB -0.539 18.449 19.000 -0.020 0.000 0.814 181 A HN 0.462 nan 8.150 nan 0.000 0.446 182 K N -0.215 120.154 120.400 -0.052 0.000 2.026 182 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 182 K C 1.905 178.515 176.600 0.017 0.000 1.048 182 K CA 1.694 57.976 56.287 -0.007 0.000 0.929 182 K CB -0.201 32.288 32.500 -0.019 0.000 0.713 182 K HN 0.625 nan 8.250 nan 0.000 0.439 183 E N -0.652 119.522 120.200 -0.043 0.000 2.085 183 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 183 E C 1.307 178.043 176.600 0.227 0.000 0.994 183 E CA 1.175 57.589 56.400 0.023 0.000 0.801 183 E CB -0.059 29.583 29.700 -0.096 0.000 0.743 183 E HN 0.462 nan 8.360 nan 0.000 0.453 184 W N 0.824 122.139 121.300 0.026 0.000 3.345 184 W HA 0.151 4.811 4.660 -0.000 0.000 0.282 184 W C 0.066 176.604 176.519 0.032 0.000 1.302 184 W CA -0.329 57.034 57.345 0.029 0.000 1.724 184 W CB -0.614 28.869 29.460 0.039 0.000 1.104 184 W HN 0.013 nan 8.180 nan 0.000 0.694 185 N N 0.714 119.545 118.700 0.219 0.000 2.725 185 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 185 N C -0.581 175.016 175.510 0.145 0.000 1.031 185 N CA 1.051 54.186 53.050 0.141 0.000 0.720 185 N CB -1.885 36.668 38.487 0.109 0.000 0.930 185 N HN 0.208 nan 8.380 nan 0.000 0.543 186 I N 0.386 121.052 120.570 0.161 0.000 2.378 186 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 186 I C 1.043 177.211 176.117 0.084 0.000 0.992 186 I CA -0.770 60.618 61.300 0.146 0.000 1.154 186 I CB 1.722 39.847 38.000 0.208 0.000 1.315 186 I HN -0.027 nan 8.210 nan 0.000 0.448 187 R N 6.590 127.129 120.500 0.065 0.000 2.442 187 R HA 0.318 4.658 4.340 -0.000 0.000 0.291 187 R C -0.879 175.430 176.300 0.015 0.000 1.069 187 R CA -0.301 55.823 56.100 0.040 0.000 1.022 187 R CB 0.555 30.881 30.300 0.044 0.000 0.976 187 R HN 0.457 nan 8.270 nan 0.000 0.443 188 I N 5.633 126.209 120.570 0.010 0.000 2.312 188 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 188 I C 1.126 177.244 176.117 0.002 0.000 1.008 188 I CA -0.102 61.196 61.300 -0.004 0.000 1.226 188 I CB 1.395 39.392 38.000 -0.005 0.000 1.371 188 I HN 0.832 nan 8.210 nan 0.000 0.468 189 K N 4.471 124.867 120.400 -0.007 0.000 2.103 189 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 189 K C 0.878 177.472 176.600 -0.010 0.000 1.052 189 K CA 1.136 57.423 56.287 0.000 0.000 0.945 189 K CB 0.461 32.954 32.500 -0.011 0.000 0.722 189 K HN 0.931 nan 8.250 nan 0.000 0.443 190 G N -0.677 108.110 108.800 -0.020 0.000 2.404 190 G HA2 0.188 4.148 3.960 -0.000 0.000 0.253 190 G HA3 0.188 4.148 3.960 -0.000 0.000 0.253 190 G C -1.803 173.090 174.900 -0.011 0.000 1.253 190 G CA -0.863 44.226 45.100 -0.020 0.000 0.917 190 G HN 0.041 nan 8.290 nan 0.000 0.480 191 L N 0.733 121.955 121.223 -0.001 0.000 2.323 191 L HA 0.822 5.162 4.340 -0.000 0.000 0.265 191 L C 0.321 177.202 176.870 0.018 0.000 1.012 191 L CA -0.810 54.052 54.840 0.036 0.000 0.820 191 L CB 2.201 44.318 42.059 0.096 0.000 1.334 191 L HN 0.948 nan 8.230 nan 0.000 0.427 192 S N 0.626 116.353 115.700 0.045 0.000 2.618 192 S HA 0.886 5.356 4.470 -0.000 0.000 0.277 192 S C -1.027 173.654 174.600 0.136 0.000 1.138 192 S CA -0.653 57.535 58.200 -0.020 0.000 0.844 192 S CB 2.389 65.546 63.200 -0.073 0.000 1.127 192 S HN 0.542 nan 8.310 nan 0.000 0.474 193 F N -1.569 118.448 119.950 0.111 0.000 2.711 193 F HA 0.705 5.232 4.527 -0.000 0.000 0.313 193 F C -1.142 174.763 175.800 0.174 0.000 1.141 193 F CA -0.875 57.215 58.000 0.149 0.000 0.941 193 F CB 1.227 40.409 39.000 0.304 0.000 1.349 193 F HN 0.937 nan 8.300 nan 0.000 0.464 194 H N 1.855 121.143 119.070 0.363 0.000 3.108 194 H HA 0.408 4.964 4.556 -0.000 0.000 0.329 194 H C -0.063 175.380 175.328 0.192 0.000 0.978 194 H CA -0.396 55.767 56.048 0.192 0.000 1.413 194 H CB 2.485 32.292 29.762 0.076 0.000 1.670 194 H HN 0.838 nan 8.280 nan 0.000 0.512 195 V N 2.346 122.119 119.914 -0.236 0.000 3.217 195 V HA 0.357 4.477 4.120 -0.000 0.000 0.264 195 V C 0.847 176.749 176.094 -0.321 0.000 1.135 195 V CA 0.981 63.102 62.300 -0.299 0.000 1.142 195 V CB -0.625 30.850 31.823 -0.580 0.000 0.754 195 V HN 0.941 nan 8.190 nan 0.000 0.484 196 G N -0.651 107.814 108.800 -0.558 0.000 2.525 196 G HA2 0.092 4.052 3.960 -0.000 0.000 0.685 196 G HA3 0.092 4.052 3.960 -0.000 0.000 0.685 196 G C -0.592 174.190 174.900 -0.198 0.000 1.285 196 G CA -0.198 44.750 45.100 -0.254 0.000 0.849 196 G HN 0.694 nan 8.290 nan 0.000 0.653 197 S N -0.229 115.486 115.700 0.026 0.000 2.580 197 S HA 0.484 4.953 4.470 -0.000 0.000 0.274 197 S C 0.894 175.534 174.600 0.066 0.000 1.329 197 S CA 1.319 59.572 58.200 0.088 0.000 1.036 197 S CB 0.990 64.241 63.200 0.085 0.000 0.919 197 S HN 2.131 nan 8.310 nan 0.000 0.515 198 Q N 1.809 121.684 119.800 0.125 0.000 2.452 198 Q HA -0.158 4.182 4.340 -0.000 0.000 0.318 198 Q C -0.537 175.529 176.000 0.110 0.000 1.386 198 Q CA 0.866 56.751 55.803 0.137 0.000 0.872 198 Q CB -2.121 26.701 28.738 0.139 0.000 1.151 198 Q HN 0.667 nan 8.270 nan 0.000 0.417 199 T N 0.273 114.900 114.554 0.122 0.000 2.761 199 T HA 0.309 4.658 4.350 -0.000 0.000 0.296 199 T C 1.371 176.268 174.700 0.327 0.000 0.934 199 T CA 0.246 62.457 62.100 0.184 0.000 1.091 199 T CB 0.909 69.893 68.868 0.193 0.000 0.896 199 T HN 0.483 nan 8.240 nan 0.000 0.515 200 T N -0.092 114.633 114.554 0.286 0.000 3.022 200 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 200 T C 0.700 175.644 174.700 0.407 0.000 1.060 200 T CA -0.326 61.983 62.100 0.348 0.000 1.013 200 T CB 0.105 69.090 68.868 0.195 0.000 0.982 200 T HN 0.360 nan 8.240 nan 0.000 0.508 201 N N 2.808 121.667 118.700 0.266 0.000 2.501 201 N HA 0.323 5.063 4.740 -0.000 0.000 0.245 201 N C -1.983 173.517 175.510 -0.017 0.000 0.974 201 N CA -2.586 50.518 53.050 0.091 0.000 0.941 201 N CB 2.113 40.620 38.487 0.033 0.000 1.122 201 N HN -0.015 nan 8.380 nan 0.000 0.507 202 P HA -0.067 nan 4.420 nan 0.000 0.230 202 P C 0.750 177.961 177.300 -0.148 0.000 1.158 202 P CA 0.630 63.429 63.100 -0.501 0.000 0.769 202 P CB 0.459 31.558 31.700 -1.002 0.000 0.807 203 N N 0.852 119.470 118.700 -0.135 0.000 2.272 203 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 203 N C 1.604 177.024 175.510 -0.149 0.000 1.014 203 N CA 1.210 54.188 53.050 -0.119 0.000 0.870 203 N CB -0.370 38.061 38.487 -0.093 0.000 0.975 203 N HN 0.082 nan 8.380 nan 0.000 0.433 204 K N -0.798 119.510 120.400 -0.152 0.000 2.044 204 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 204 K C 1.744 178.097 176.600 -0.412 0.000 1.049 204 K CA 1.641 57.756 56.287 -0.286 0.000 0.927 204 K CB -0.391 31.925 32.500 -0.307 0.000 0.713 204 K HN 0.358 nan 8.250 nan 0.000 0.443 205 Y N 0.836 120.997 120.300 -0.231 0.000 2.145 205 Y HA -0.232 4.317 4.550 -0.000 0.000 0.286 205 Y C 2.457 178.172 175.900 -0.309 0.000 1.145 205 Y CA 0.851 58.842 58.100 -0.182 0.000 1.148 205 Y CB -0.695 37.755 38.460 -0.018 0.000 0.981 205 Y HN -0.201 nan 8.280 nan 0.000 0.507 206 V N 0.380 120.207 119.914 -0.145 0.000 2.255 206 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 206 V C 2.054 177.837 176.094 -0.518 0.000 1.051 206 V CA 2.249 64.349 62.300 -0.334 0.000 1.018 206 V CB -0.638 31.033 31.823 -0.254 0.000 0.641 206 V HN 0.452 nan 8.190 nan 0.000 0.445 207 E N 0.219 120.180 120.200 -0.398 0.000 2.077 207 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 207 E C 2.345 178.573 176.600 -0.620 0.000 0.989 207 E CA 1.280 57.458 56.400 -0.371 0.000 0.800 207 E CB -0.346 29.161 29.700 -0.320 0.000 0.746 207 E HN 0.609 nan 8.360 nan 0.000 0.452 208 A N 1.348 123.572 122.820 -0.994 0.000 1.902 208 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 208 A C 2.190 179.316 177.584 -0.763 0.000 1.181 208 A CA 1.150 52.244 52.037 -1.572 0.000 0.623 208 A CB -0.600 16.999 19.000 -2.336 0.000 0.818 208 A HN 0.129 nan 8.150 nan 0.000 0.443 209 I N -1.153 119.142 120.570 -0.459 0.000 2.179 209 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 209 I C 2.462 178.503 176.117 -0.127 0.000 1.088 209 I CA 1.265 62.489 61.300 -0.127 0.000 1.357 209 I CB -0.539 37.409 38.000 -0.086 0.000 1.051 209 I HN 0.370 nan 8.210 nan 0.000 0.409 210 H N 0.311 119.274 119.070 -0.179 0.000 2.319 210 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 210 H C 2.463 177.662 175.328 -0.215 0.000 1.092 210 H CA 1.937 57.851 56.048 -0.223 0.000 1.302 210 H CB -0.893 28.789 29.762 -0.133 0.000 1.373 210 H HN 0.275 nan 8.280 nan 0.000 0.497 211 T N 0.416 114.980 114.554 0.018 0.000 2.708 211 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 211 T C 2.524 177.321 174.700 0.162 0.000 1.037 211 T CA 1.388 63.572 62.100 0.140 0.000 1.146 211 T CB -0.575 68.391 68.868 0.164 0.000 0.865 211 T HN 0.412 nan 8.240 nan 0.000 0.435 212 C N 1.034 120.420 119.300 0.144 0.000 2.413 212 C HA -0.037 4.423 4.460 -0.000 0.000 0.276 212 C C 2.859 177.899 174.990 0.084 0.000 1.248 212 C CA 0.633 59.753 59.018 0.169 0.000 1.742 212 C CB -0.977 26.910 27.740 0.244 0.000 2.017 212 C HN 0.546 nan 8.230 nan 0.000 0.481 213 R N -0.085 120.413 120.500 -0.002 0.000 2.091 213 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 213 R C 2.214 178.480 176.300 -0.057 0.000 1.136 213 R CA 1.655 57.714 56.100 -0.068 0.000 0.959 213 R CB -0.430 29.774 30.300 -0.159 0.000 0.856 213 R HN 0.625 nan 8.270 nan 0.000 0.437 214 H N -0.457 118.655 119.070 0.070 0.000 2.389 214 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 214 H C 2.209 177.566 175.328 0.049 0.000 1.081 214 H CA 1.547 57.625 56.048 0.049 0.000 1.345 214 H CB -0.230 29.557 29.762 0.041 0.000 1.393 214 H HN 0.086 nan 8.280 nan 0.000 0.520 215 V N 1.157 121.171 119.914 0.166 0.000 2.343 215 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 215 V C 2.615 178.758 176.094 0.082 0.000 1.051 215 V CA 1.583 63.950 62.300 0.113 0.000 1.036 215 V CB -0.517 31.370 31.823 0.108 0.000 0.654 215 V HN 0.303 nan 8.190 nan 0.000 0.451 216 M N -0.564 119.080 119.600 0.074 0.000 2.149 216 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 216 M C 2.171 178.502 176.300 0.052 0.000 1.064 216 M CA 1.909 57.241 55.300 0.054 0.000 1.102 216 M CB -0.515 32.111 32.600 0.044 0.000 1.369 216 M HN 0.376 nan 8.290 nan 0.000 0.408 217 E N -0.220 120.021 120.200 0.068 0.000 2.077 217 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 217 E C 2.220 178.854 176.600 0.056 0.000 0.989 217 E CA 0.912 57.353 56.400 0.068 0.000 0.800 217 E CB -0.071 29.690 29.700 0.101 0.000 0.746 217 E HN 0.463 nan 8.360 nan 0.000 0.452 218 Q N 0.345 120.182 119.800 0.061 0.000 2.124 218 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 218 Q C 2.477 178.495 176.000 0.029 0.000 0.977 218 Q CA 0.893 56.721 55.803 0.042 0.000 0.850 218 Q CB -0.396 28.368 28.738 0.043 0.000 0.901 218 Q HN 0.219 nan 8.270 nan 0.000 0.429 219 V N 0.469 120.402 119.914 0.031 0.000 2.252 219 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 219 V C 2.512 178.617 176.094 0.019 0.000 1.056 219 V CA 1.664 63.977 62.300 0.021 0.000 1.022 219 V CB -0.758 31.079 31.823 0.022 0.000 0.641 219 V HN 0.108 nan 8.190 nan 0.000 0.445 220 V N -0.344 119.584 119.914 0.024 0.000 2.343 220 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 220 V C 2.591 178.696 176.094 0.018 0.000 1.051 220 V CA 1.844 64.157 62.300 0.022 0.000 1.036 220 V CB -0.625 31.213 31.823 0.026 0.000 0.654 220 V HN 0.548 nan 8.190 nan 0.000 0.451 221 E N 0.153 120.365 120.200 0.020 0.000 2.150 221 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 221 E C 2.253 178.860 176.600 0.011 0.000 0.985 221 E CA 0.793 57.203 56.400 0.016 0.000 0.814 221 E CB -0.272 29.438 29.700 0.017 0.000 0.752 221 E HN 0.550 nan 8.360 nan 0.000 0.466 222 R N -0.334 120.172 120.500 0.010 0.000 2.323 222 R HA 0.046 4.386 4.340 -0.000 0.000 0.198 222 R C 1.050 177.353 176.300 0.004 0.000 0.988 222 R CA 0.557 56.660 56.100 0.004 0.000 1.041 222 R CB 0.070 30.371 30.300 0.001 0.000 0.926 222 R HN 0.204 nan 8.270 nan 0.000 0.476 223 G N 1.194 109.999 108.800 0.007 0.000 2.153 223 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 223 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 223 G C 0.082 174.987 174.900 0.007 0.000 0.994 223 G CA -0.022 45.083 45.100 0.008 0.000 0.698 223 G HN 0.178 nan 8.290 nan 0.000 0.521 224 L N 0.343 121.570 121.223 0.007 0.000 2.421 224 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 224 L C -1.559 175.318 176.870 0.011 0.000 1.122 224 L CA -2.345 52.498 54.840 0.005 0.000 0.804 224 L CB 0.586 42.645 42.059 -0.001 0.000 1.150 224 L HN -0.134 nan 8.230 nan 0.000 0.457 225 P HA 0.025 nan 4.420 nan 0.000 0.264 225 P C -0.747 176.564 177.300 0.019 0.000 1.193 225 P CA -0.153 62.957 63.100 0.017 0.000 0.763 225 P CB 0.475 32.187 31.700 0.019 0.000 0.810 226 A N 4.468 127.302 122.820 0.022 0.000 2.498 226 A HA 0.202 4.522 4.320 -0.000 0.000 0.239 226 A C 0.217 177.818 177.584 0.027 0.000 1.068 226 A CA -0.226 51.826 52.037 0.025 0.000 0.766 226 A CB -0.381 18.635 19.000 0.027 0.000 1.003 226 A HN 0.534 nan 8.150 nan 0.000 0.497 227 L N 2.657 123.896 121.223 0.027 0.000 2.349 227 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 227 L C 1.535 178.423 176.870 0.029 0.000 1.115 227 L CA 0.149 55.004 54.840 0.024 0.000 0.820 227 L CB 1.402 43.472 42.059 0.019 0.000 1.135 227 L HN 0.992 nan 8.230 nan 0.000 0.445 228 S N -0.032 115.688 115.700 0.034 0.000 2.503 228 S HA 0.083 4.553 4.470 -0.000 0.000 0.217 228 S C 0.639 175.248 174.600 0.015 0.000 0.999 228 S CA -0.114 58.127 58.200 0.069 0.000 0.914 228 S CB 0.254 63.524 63.200 0.117 0.000 0.782 228 S HN 0.687 nan 8.310 nan 0.000 0.520 229 T N 2.221 116.726 114.554 -0.082 0.000 2.916 229 T HA 0.630 4.980 4.350 -0.000 0.000 0.298 229 T C -1.758 172.847 174.700 -0.159 0.000 1.031 229 T CA -0.537 61.401 62.100 -0.270 0.000 0.993 229 T CB 1.930 70.618 68.868 -0.301 0.000 1.045 229 T HN 0.202 nan 8.240 nan 0.000 0.454 230 L N 3.017 124.137 121.223 -0.172 0.000 2.333 230 L HA 0.685 5.025 4.340 -0.000 0.000 0.280 230 L C -1.211 175.575 176.870 -0.141 0.000 1.004 230 L CA -0.454 54.333 54.840 -0.089 0.000 0.820 230 L CB 1.509 43.563 42.059 -0.009 0.000 1.247 230 L HN 0.573 nan 8.230 nan 0.000 0.416 231 D N 4.611 124.911 120.400 -0.167 0.000 2.414 231 D HA 0.235 4.875 4.640 -0.000 0.000 0.232 231 D C 0.759 176.805 176.300 -0.424 0.000 1.070 231 D CA -0.379 53.490 54.000 -0.218 0.000 0.839 231 D CB 1.001 41.683 40.800 -0.195 0.000 1.079 231 D HN 0.618 nan 8.370 nan 0.000 0.521 232 I N 1.215 121.540 120.570 -0.408 0.000 3.735 232 I HA 0.405 4.575 4.170 -0.000 0.000 0.310 232 I C 1.063 176.866 176.117 -0.524 0.000 1.270 232 I CA -0.159 60.667 61.300 -0.791 0.000 1.207 232 I CB -0.422 37.513 38.000 -0.108 0.000 1.013 232 I HN 0.448 nan 8.210 nan 0.000 0.452 233 G N 1.099 109.743 108.800 -0.259 0.000 2.601 233 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.252 233 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.252 233 G C 0.114 175.132 174.900 0.196 0.000 1.294 233 G CA -0.322 44.800 45.100 0.035 0.000 0.912 233 G HN 0.784 nan 8.290 nan 0.000 0.574 234 G N -2.930 106.112 108.800 0.404 0.000 2.857 234 G HA2 0.711 4.671 3.960 -0.000 0.000 0.217 234 G HA3 0.711 4.671 3.960 -0.000 0.000 0.217 234 G C 1.337 176.154 174.900 -0.138 0.000 1.357 234 G CA 1.060 46.302 45.100 0.236 0.000 1.033 234 G HN 2.599 nan 8.290 nan 0.000 0.571 235 G N -2.260 106.532 108.800 -0.014 0.000 2.184 235 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.206 235 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.206 235 G C 0.199 175.064 174.900 -0.058 0.000 0.995 235 G CA -0.043 45.027 45.100 -0.049 0.000 0.651 235 G HN 0.574 nan 8.290 nan 0.000 0.511 236 F N 2.924 122.965 119.950 0.151 0.000 2.578 236 F HA 0.416 4.943 4.527 -0.000 0.000 0.376 236 F C -0.807 174.974 175.800 -0.032 0.000 1.085 236 F CA -1.450 56.448 58.000 -0.170 0.000 1.260 236 F CB 0.346 39.138 39.000 -0.346 0.000 1.095 236 F HN -0.029 nan 8.300 nan 0.000 0.573 237 P HA 0.441 nan 4.420 nan 0.000 0.282 237 P C -1.087 176.324 177.300 0.185 0.000 1.259 237 P CA -0.403 62.747 63.100 0.083 0.000 0.826 237 P CB 2.228 33.915 31.700 -0.022 0.000 1.064 238 V N -1.211 118.781 119.914 0.129 0.000 3.074 238 V HA 0.561 4.681 4.120 -0.000 0.000 0.314 238 V C -0.402 175.623 176.094 -0.114 0.000 1.117 238 V CA -1.323 60.950 62.300 -0.046 0.000 1.014 238 V CB 1.423 33.107 31.823 -0.232 0.000 1.057 238 V HN 0.367 nan 8.190 nan 0.000 0.438 239 N N 1.560 120.153 118.700 -0.179 0.000 2.470 239 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 239 N C -0.850 174.473 175.510 -0.312 0.000 1.136 239 N CA -0.079 52.892 53.050 -0.132 0.000 0.961 239 N CB 0.766 39.203 38.487 -0.085 0.000 1.067 239 N HN 0.723 nan 8.380 nan 0.000 0.468 240 Y N 0.220 120.534 120.300 0.024 0.000 2.793 240 Y HA 0.110 4.660 4.550 -0.000 0.000 0.166 240 Y C 2.365 178.278 175.900 0.021 0.000 0.919 240 Y CA 0.235 58.350 58.100 0.026 0.000 1.564 240 Y CB -0.315 38.136 38.460 -0.015 0.000 1.125 240 Y HN 0.530 nan 8.280 nan 0.000 0.432 241 T N -1.900 112.776 114.554 0.203 0.000 3.069 241 T HA 0.228 4.577 4.350 -0.000 0.000 0.252 241 T C 0.110 174.854 174.700 0.073 0.000 1.053 241 T CA 0.003 62.166 62.100 0.104 0.000 0.964 241 T CB 0.175 69.086 68.868 0.072 0.000 1.005 241 T HN 0.040 nan 8.240 nan 0.000 0.532 242 Q N 1.577 121.429 119.800 0.087 0.000 2.356 242 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 242 Q C -1.029 175.010 176.000 0.066 0.000 1.058 242 Q CA -0.645 55.197 55.803 0.065 0.000 0.802 242 Q CB 2.402 31.177 28.738 0.062 0.000 1.303 242 Q HN 0.379 nan 8.270 nan 0.000 0.444 243 Q N 1.491 121.321 119.800 0.050 0.000 2.300 243 Q HA 0.265 4.605 4.340 -0.000 0.000 0.280 243 Q C -0.645 175.394 176.000 0.064 0.000 1.033 243 Q CA 0.021 55.853 55.803 0.047 0.000 0.903 243 Q CB 0.587 29.349 28.738 0.040 0.000 1.195 243 Q HN 0.484 nan 8.270 nan 0.000 0.386 244 V N 1.855 121.810 119.914 0.068 0.000 2.975 244 V HA 0.527 4.647 4.120 -0.000 0.000 0.318 244 V C 0.234 176.388 176.094 0.101 0.000 1.077 244 V CA -1.289 61.066 62.300 0.092 0.000 1.000 244 V CB 1.626 33.502 31.823 0.088 0.000 1.066 244 V HN 1.003 nan 8.190 nan 0.000 0.452 245 M N 3.027 122.718 119.600 0.151 0.000 2.252 245 M HA 0.275 4.755 4.480 -0.000 0.000 0.348 245 M C -2.177 174.212 176.300 0.149 0.000 1.334 245 M CA -1.011 54.395 55.300 0.177 0.000 1.071 245 M CB 0.614 33.397 32.600 0.304 0.000 1.763 245 M HN 0.600 nan 8.290 nan 0.000 0.452 246 P HA -0.087 nan 4.420 nan 0.000 0.265 246 P C 0.409 177.775 177.300 0.110 0.000 1.187 246 P CA 0.026 63.185 63.100 0.098 0.000 0.766 246 P CB 0.411 32.154 31.700 0.070 0.000 0.820 247 I N 3.136 123.756 120.570 0.083 0.000 2.286 247 I HA -0.278 3.891 4.170 -0.000 0.000 0.248 247 I C 1.304 177.420 176.117 -0.003 0.000 1.115 247 I CA 1.885 63.173 61.300 -0.020 0.000 1.392 247 I CB -0.750 37.143 38.000 -0.178 0.000 1.065 247 I HN 0.381 nan 8.210 nan 0.000 0.418 248 D N -0.469 119.932 120.400 0.002 0.000 2.104 248 D HA -0.277 4.363 4.640 -0.000 0.000 0.194 248 D C 1.988 178.299 176.300 0.019 0.000 0.994 248 D CA 1.534 55.527 54.000 -0.011 0.000 0.830 248 D CB -0.796 39.998 40.800 -0.011 0.000 0.959 248 D HN 0.486 nan 8.370 nan 0.000 0.452 249 Q N -0.977 118.854 119.800 0.052 0.000 2.079 249 Q HA -0.067 4.272 4.340 -0.000 0.000 0.200 249 Q C 1.956 178.000 176.000 0.074 0.000 0.974 249 Q CA 0.886 56.721 55.803 0.053 0.000 0.840 249 Q CB -0.330 28.446 28.738 0.063 0.000 0.898 249 Q HN 0.312 nan 8.270 nan 0.000 0.430 250 F N 0.315 120.247 119.950 -0.030 0.000 2.095 250 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 250 F C 1.897 177.656 175.800 -0.068 0.000 1.104 250 F CA 1.300 59.283 58.000 -0.029 0.000 1.232 250 F CB -0.083 38.907 39.000 -0.016 0.000 0.987 250 F HN 0.081 nan 8.300 nan 0.000 0.475 251 C N -0.039 119.322 119.300 0.102 0.000 2.514 251 C HA 0.230 4.690 4.460 -0.000 0.000 0.271 251 C C 2.968 177.912 174.990 -0.077 0.000 1.399 251 C CA 0.312 59.316 59.018 -0.023 0.000 1.765 251 C CB -1.727 25.972 27.740 -0.069 0.000 1.893 251 C HN 0.629 nan 8.230 nan 0.000 0.531 252 A N 2.876 125.659 122.820 -0.061 0.000 1.869 252 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 252 A C 0.337 177.878 177.584 -0.070 0.000 1.203 252 A CA 2.467 54.470 52.037 -0.057 0.000 0.638 252 A CB -1.929 17.047 19.000 -0.040 0.000 0.831 252 A HN 0.484 nan 8.150 nan 0.000 0.450 253 P HA -0.074 nan 4.420 nan 0.000 0.221 253 P C 1.494 178.733 177.300 -0.101 0.000 1.150 253 P CA 0.930 63.972 63.100 -0.096 0.000 0.800 253 P CB -0.219 31.407 31.700 -0.123 0.000 0.787 254 I N 0.239 120.738 120.570 -0.119 0.000 2.142 254 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 254 I C 2.125 178.210 176.117 -0.053 0.000 1.078 254 I CA 1.733 62.982 61.300 -0.084 0.000 1.343 254 I CB -1.116 36.825 38.000 -0.098 0.000 1.046 254 I HN -0.033 nan 8.210 nan 0.000 0.405 255 N N 0.535 119.203 118.700 -0.054 0.000 2.137 255 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 255 N C 1.728 177.221 175.510 -0.027 0.000 1.017 255 N CA 1.371 54.397 53.050 -0.039 0.000 0.859 255 N CB -0.105 38.355 38.487 -0.045 0.000 1.002 255 N HN 0.431 nan 8.380 nan 0.000 0.428 256 E N 0.629 120.811 120.200 -0.031 0.000 2.072 256 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 256 E C 2.147 178.747 176.600 0.000 0.000 0.985 256 E CA 0.999 57.391 56.400 -0.013 0.000 0.801 256 E CB -0.096 29.597 29.700 -0.012 0.000 0.750 256 E HN 0.406 nan 8.360 nan 0.000 0.452 257 A N 1.231 124.032 122.820 -0.031 0.000 1.933 257 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 257 A C 2.190 179.764 177.584 -0.017 0.000 1.175 257 A CA 1.029 53.032 52.037 -0.057 0.000 0.628 257 A CB -0.608 18.238 19.000 -0.258 0.000 0.814 257 A HN 0.132 nan 8.150 nan 0.000 0.444 258 L N 0.410 121.626 121.223 -0.012 0.000 2.141 258 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 258 L C 2.934 179.812 176.870 0.014 0.000 1.094 258 L CA 1.456 56.301 54.840 0.008 0.000 0.763 258 L CB -0.481 41.583 42.059 0.010 0.000 0.908 258 L HN 0.627 nan 8.230 nan 0.000 0.437 259 S N 0.049 115.755 115.700 0.011 0.000 2.469 259 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 259 S C 1.782 176.394 174.600 0.020 0.000 0.998 259 S CA 0.859 59.067 58.200 0.013 0.000 0.957 259 S CB -0.473 62.732 63.200 0.009 0.000 0.764 259 S HN 0.449 nan 8.310 nan 0.000 0.514 260 L N 0.398 121.638 121.223 0.029 0.000 2.492 260 L HA 0.298 4.638 4.340 -0.000 0.000 0.223 260 L C 0.717 177.599 176.870 0.020 0.000 1.132 260 L CA -0.055 54.803 54.840 0.030 0.000 0.850 260 L CB -0.421 41.669 42.059 0.051 0.000 0.966 260 L HN 0.272 nan 8.230 nan 0.000 0.454 261 L N 0.500 121.735 121.223 0.020 0.000 2.467 261 L HA 0.126 4.466 4.340 -0.000 0.000 0.270 261 L C -1.771 175.112 176.870 0.022 0.000 1.205 261 L CA -1.772 53.080 54.840 0.019 0.000 0.828 261 L CB -0.329 41.743 42.059 0.023 0.000 1.101 261 L HN -0.163 nan 8.230 nan 0.000 0.479 262 P HA 0.002 nan 4.420 nan 0.000 0.267 262 P C -0.129 177.190 177.300 0.031 0.000 1.200 262 P CA -0.081 63.034 63.100 0.026 0.000 0.772 262 P CB 0.499 32.217 31.700 0.028 0.000 0.855 263 E N -0.108 120.109 120.200 0.029 0.000 2.268 263 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 263 E C 1.449 178.074 176.600 0.041 0.000 0.995 263 E CA 1.523 57.941 56.400 0.031 0.000 0.836 263 E CB -0.774 28.940 29.700 0.023 0.000 0.763 263 E HN 0.586 nan 8.360 nan 0.000 0.491 264 T N -2.062 112.518 114.554 0.043 0.000 3.148 264 T HA 0.104 4.454 4.350 -0.000 0.000 0.253 264 T C 0.619 175.367 174.700 0.081 0.000 1.134 264 T CA -0.193 61.939 62.100 0.053 0.000 1.051 264 T CB -0.094 68.800 68.868 0.044 0.000 0.959 264 T HN -0.150 nan 8.240 nan 0.000 0.525 265 V N 4.095 124.055 119.914 0.076 0.000 2.427 265 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 265 V C 0.195 176.362 176.094 0.122 0.000 1.034 265 V CA -1.180 61.167 62.300 0.079 0.000 0.893 265 V CB 0.878 32.721 31.823 0.033 0.000 0.982 265 V HN 0.669 nan 8.190 nan 0.000 0.452 266 H N 3.590 122.671 119.070 0.018 0.000 2.651 266 H HA 0.825 5.381 4.556 -0.000 0.000 0.353 266 H C -1.387 173.953 175.328 0.020 0.000 1.178 266 H CA -1.109 54.950 56.048 0.018 0.000 1.224 266 H CB 1.984 31.758 29.762 0.020 0.000 1.702 266 H HN 0.331 nan 8.280 nan 0.000 0.550 267 V N 2.739 122.651 119.914 -0.004 0.000 2.604 267 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 267 V C 0.100 176.193 176.094 -0.001 0.000 1.043 267 V CA -0.802 61.465 62.300 -0.056 0.000 0.888 267 V CB 1.670 33.493 31.823 0.001 0.000 0.995 267 V HN 0.594 nan 8.190 nan 0.000 0.429 268 L N 3.112 124.312 121.223 -0.038 0.000 2.323 268 L HA 1.019 5.359 4.340 -0.000 0.000 0.265 268 L C 0.018 176.911 176.870 0.038 0.000 1.012 268 L CA -0.676 54.190 54.840 0.042 0.000 0.820 268 L CB 2.020 44.055 42.059 -0.040 0.000 1.334 268 L HN 0.765 nan 8.230 nan 0.000 0.427 269 A N 0.707 123.599 122.820 0.121 0.000 2.532 269 A HA 0.728 5.047 4.320 -0.000 0.000 0.290 269 A C -0.941 176.765 177.584 0.202 0.000 1.143 269 A CA -0.489 51.644 52.037 0.160 0.000 0.728 269 A CB 1.777 20.934 19.000 0.261 0.000 1.317 269 A HN 0.787 nan 8.150 nan 0.000 0.414 270 E N 1.103 121.445 120.200 0.237 0.000 3.896 270 E HA 0.228 4.578 4.350 -0.000 0.000 0.217 270 E C -2.675 174.091 176.600 0.277 0.000 1.150 270 E CA -1.550 54.968 56.400 0.197 0.000 1.338 270 E CB 0.958 30.706 29.700 0.080 0.000 1.242 270 E HN 0.453 nan 8.360 nan 0.000 0.435 271 P HA 0.050 nan 4.420 nan 0.000 0.271 271 P C 0.216 177.732 177.300 0.360 0.000 1.216 271 P CA 0.264 63.648 63.100 0.473 0.000 0.771 271 P CB 2.080 34.023 31.700 0.405 0.000 0.864 272 G N 3.166 112.170 108.800 0.340 0.000 2.531 272 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.210 272 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.210 272 G C 1.418 176.510 174.900 0.319 0.000 1.547 272 G CA -0.054 45.180 45.100 0.223 0.000 0.740 272 G HN 0.442 nan 8.290 nan 0.000 0.611 273 R N -0.562 120.123 120.500 0.309 0.000 2.119 273 R HA -0.131 4.209 4.340 -0.000 0.000 0.246 273 R C 2.244 178.699 176.300 0.258 0.000 1.146 273 R CA 1.861 58.131 56.100 0.284 0.000 0.962 273 R CB -0.514 30.040 30.300 0.422 0.000 0.863 273 R HN 0.302 nan 8.270 nan 0.000 0.442 274 F N 0.850 120.922 119.950 0.204 0.000 2.171 274 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 274 F C 1.876 177.719 175.800 0.072 0.000 1.090 274 F CA 1.453 59.524 58.000 0.119 0.000 1.293 274 F CB -0.005 39.071 39.000 0.128 0.000 1.013 274 F HN 0.004 nan 8.300 nan 0.000 0.486 275 I N -0.507 120.209 120.570 0.244 0.000 2.333 275 I HA -0.276 3.894 4.170 -0.000 0.000 0.246 275 I C 2.465 178.561 176.117 -0.035 0.000 1.106 275 I CA 1.291 62.656 61.300 0.108 0.000 1.411 275 I CB -0.468 37.643 38.000 0.185 0.000 1.082 275 I HN 0.401 nan 8.210 nan 0.000 0.420 276 C N -0.519 118.806 119.300 0.041 0.000 2.558 276 C HA 0.415 4.875 4.460 -0.000 0.000 0.288 276 C C 2.967 177.921 174.990 -0.060 0.000 1.338 276 C CA -0.148 58.858 59.018 -0.021 0.000 1.760 276 C CB -0.810 26.967 27.740 0.062 0.000 2.159 276 C HN 0.388 nan 8.230 nan 0.000 0.518 277 A N 2.898 125.694 122.820 -0.039 0.000 1.892 277 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 277 A C 0.149 177.667 177.584 -0.111 0.000 1.188 277 A CA 2.283 54.300 52.037 -0.033 0.000 0.631 277 A CB -1.883 17.132 19.000 0.025 0.000 0.822 277 A HN 0.554 nan 8.150 nan 0.000 0.447 278 P HA 0.099 nan 4.420 nan 0.000 0.237 278 P C 1.010 178.219 177.300 -0.152 0.000 1.178 278 P CA 1.174 64.159 63.100 -0.192 0.000 0.766 278 P CB 0.076 31.625 31.700 -0.253 0.000 0.876 279 A N -1.099 121.633 122.820 -0.146 0.000 2.251 279 A HA 0.170 4.490 4.320 -0.000 0.000 0.209 279 A C 0.710 178.211 177.584 -0.137 0.000 1.187 279 A CA 0.562 52.513 52.037 -0.143 0.000 0.823 279 A CB -0.193 18.713 19.000 -0.156 0.000 0.846 279 A HN 0.044 nan 8.150 nan 0.000 0.486 280 V N 0.162 120.001 119.914 -0.125 0.000 2.656 280 V HA 0.458 4.578 4.120 -0.000 0.000 0.307 280 V C -0.444 175.582 176.094 -0.114 0.000 1.051 280 V CA -0.440 61.784 62.300 -0.127 0.000 0.893 280 V CB 1.899 33.641 31.823 -0.135 0.000 0.999 280 V HN 0.191 nan 8.190 nan 0.000 0.426 281 T N 2.969 117.461 114.554 -0.105 0.000 2.807 281 T HA 0.481 4.830 4.350 -0.000 0.000 0.279 281 T C -0.009 174.637 174.700 -0.090 0.000 0.993 281 T CA -0.477 61.573 62.100 -0.083 0.000 0.970 281 T CB 1.469 70.302 68.868 -0.058 0.000 0.950 281 T HN 0.860 nan 8.240 nan 0.000 0.441 282 S N 1.875 117.517 115.700 -0.097 0.000 2.585 282 S HA 0.756 5.226 4.470 -0.000 0.000 0.277 282 S C -0.440 174.157 174.600 -0.005 0.000 1.241 282 S CA -0.702 57.441 58.200 -0.094 0.000 1.041 282 S CB 1.052 64.129 63.200 -0.205 0.000 0.987 282 S HN 0.451 nan 8.310 nan 0.000 0.512 283 V N 1.532 121.454 119.914 0.014 0.000 2.482 283 V HA 0.790 4.909 4.120 -0.000 0.000 0.295 283 V C 0.087 176.222 176.094 0.068 0.000 1.026 283 V CA -0.464 61.861 62.300 0.042 0.000 0.856 283 V CB 0.931 32.771 31.823 0.029 0.000 1.001 283 V HN 1.266 nan 8.190 nan 0.000 0.424 284 A N 3.586 126.457 122.820 0.086 0.000 2.384 284 A HA 1.013 5.333 4.320 -0.000 0.000 0.312 284 A C -0.106 177.509 177.584 0.053 0.000 1.113 284 A CA -0.336 51.753 52.037 0.088 0.000 0.779 284 A CB 2.090 21.166 19.000 0.126 0.000 1.307 284 A HN 1.130 nan 8.150 nan 0.000 0.436 285 S N -0.209 115.523 115.700 0.054 0.000 2.600 285 S HA 0.661 5.131 4.470 -0.000 0.000 0.300 285 S C -0.719 173.910 174.600 0.048 0.000 1.087 285 S CA -0.626 57.598 58.200 0.040 0.000 0.965 285 S CB 1.320 64.550 63.200 0.050 0.000 1.089 285 S HN 0.939 nan 8.310 nan 0.000 0.496 286 V N 4.083 124.020 119.914 0.037 0.000 2.427 286 V HA 0.165 4.285 4.120 -0.000 0.000 0.268 286 V C 1.128 177.293 176.094 0.119 0.000 1.046 286 V CA -0.119 62.230 62.300 0.081 0.000 0.970 286 V CB 0.280 32.132 31.823 0.049 0.000 1.001 286 V HN 0.995 nan 8.190 nan 0.000 0.476 287 M N 3.236 122.929 119.600 0.155 0.000 2.287 287 M HA 0.251 4.731 4.480 -0.000 0.000 0.266 287 M C 1.023 177.418 176.300 0.158 0.000 1.079 287 M CA 1.275 56.662 55.300 0.146 0.000 1.146 287 M CB 0.183 32.869 32.600 0.144 0.000 1.374 287 M HN 0.804 nan 8.290 nan 0.000 0.435 288 G N 0.030 108.973 108.800 0.238 0.000 2.489 288 G HA2 0.558 4.517 3.960 -0.000 0.000 0.305 288 G HA3 0.558 4.517 3.960 -0.000 0.000 0.305 288 G C -2.035 173.125 174.900 0.433 0.000 1.311 288 G CA -0.702 44.544 45.100 0.244 0.000 0.813 288 G HN 0.320 nan 8.290 nan 0.000 0.480 289 Q N -1.827 118.199 119.800 0.377 0.000 2.594 289 Q HA 0.702 5.042 4.340 -0.000 0.000 0.278 289 Q C -1.320 174.836 176.000 0.261 0.000 0.961 289 Q CA -0.941 55.081 55.803 0.364 0.000 0.844 289 Q CB 1.711 30.593 28.738 0.239 0.000 1.475 289 Q HN 2.045 nan 8.270 nan 0.000 0.389 290 A N 0.945 123.906 122.820 0.234 0.000 2.574 290 A HA 0.562 4.882 4.320 -0.000 0.000 0.297 290 A C -1.600 176.031 177.584 0.078 0.000 1.062 290 A CA -0.677 51.439 52.037 0.131 0.000 0.686 290 A CB 2.196 21.274 19.000 0.131 0.000 1.285 290 A HN 0.710 nan 8.150 nan 0.000 0.403 291 E N 0.982 121.206 120.200 0.040 0.000 2.229 291 E HA 0.436 4.786 4.350 -0.000 0.000 0.283 291 E C -0.696 175.925 176.600 0.034 0.000 1.030 291 E CA -0.284 56.143 56.400 0.045 0.000 0.836 291 E CB 0.559 30.273 29.700 0.024 0.000 1.068 291 E HN 0.493 nan 8.360 nan 0.000 0.401 292 R N 3.722 124.272 120.500 0.084 0.000 2.473 292 R HA 0.157 4.497 4.340 -0.000 0.000 0.303 292 R C -0.752 175.606 176.300 0.097 0.000 1.002 292 R CA -0.525 55.585 56.100 0.016 0.000 0.884 292 R CB 1.198 31.373 30.300 -0.209 0.000 1.173 292 R HN 0.659 nan 8.270 nan 0.000 0.464 293 E N 1.399 121.628 120.200 0.048 0.000 2.269 293 E HA -0.272 4.078 4.350 -0.000 0.000 0.223 293 E C 0.588 177.224 176.600 0.060 0.000 1.244 293 E CA 0.682 57.113 56.400 0.053 0.000 0.713 293 E CB -1.064 28.675 29.700 0.065 0.000 1.178 293 E HN 1.176 nan 8.360 nan 0.000 0.370 294 G N -0.102 108.727 108.800 0.049 0.000 2.168 294 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.263 294 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.263 294 G C 0.088 175.010 174.900 0.038 0.000 0.977 294 G CA 0.851 45.973 45.100 0.037 0.000 0.659 294 G HN 0.386 nan 8.290 nan 0.000 0.533 295 Q N -0.802 119.041 119.800 0.072 0.000 2.377 295 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 295 Q C 0.048 176.083 176.000 0.060 0.000 1.077 295 Q CA -0.950 54.876 55.803 0.038 0.000 0.820 295 Q CB 1.759 30.505 28.738 0.012 0.000 1.347 295 Q HN 0.362 nan 8.270 nan 0.000 0.444 296 I N 1.888 122.410 120.570 -0.080 0.000 2.337 296 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 296 I C -0.785 175.111 176.117 -0.367 0.000 1.046 296 I CA -0.324 60.850 61.300 -0.209 0.000 1.324 296 I CB 0.355 38.131 38.000 -0.374 0.000 1.409 296 I HN 0.395 nan 8.210 nan 0.000 0.494 297 W N 6.600 127.626 121.300 -0.456 0.000 2.335 297 W HA 0.322 4.982 4.660 -0.000 0.000 0.306 297 W C -0.457 175.637 176.519 -0.707 0.000 1.216 297 W CA -0.127 56.889 57.345 -0.549 0.000 1.237 297 W CB 0.203 29.365 29.460 -0.497 0.000 1.243 297 W HN 0.272 nan 8.180 nan 0.000 0.493 298 Y N 2.947 123.125 120.300 -0.205 0.000 2.330 298 Y HA 0.318 4.868 4.550 -0.000 0.000 0.336 298 Y C -0.537 175.204 175.900 -0.265 0.000 1.036 298 Y CA -1.382 56.635 58.100 -0.138 0.000 1.125 298 Y CB 0.587 39.000 38.460 -0.079 0.000 1.194 298 Y HN 0.245 nan 8.280 nan 0.000 0.469 299 Y N 3.827 124.268 120.300 0.235 0.000 2.369 299 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 299 Y C -0.134 175.822 175.900 0.094 0.000 0.961 299 Y CA -0.676 57.514 58.100 0.149 0.000 1.186 299 Y CB 0.526 39.062 38.460 0.126 0.000 1.139 299 Y HN 0.387 nan 8.280 nan 0.000 0.494 300 L N 2.709 124.015 121.223 0.138 0.000 2.431 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.260 300 L C 0.674 177.564 176.870 0.033 0.000 1.098 300 L CA -0.765 54.119 54.840 0.073 0.000 0.800 300 L CB 0.876 42.945 42.059 0.017 0.000 1.210 300 L HN 0.587 nan 8.230 nan 0.000 0.465 301 D N -2.119 118.303 120.400 0.036 0.000 2.319 301 D HA 0.070 4.710 4.640 -0.000 0.000 0.230 301 D C -0.245 176.065 176.300 0.018 0.000 1.094 301 D CA 0.068 54.072 54.000 0.006 0.000 0.856 301 D CB 0.056 40.901 40.800 0.076 0.000 0.915 301 D HN 0.295 nan 8.370 nan 0.000 0.517 302 D N -1.465 118.971 120.400 0.060 0.000 2.661 302 D HA 0.669 5.309 4.640 -0.000 0.000 0.228 302 D C -0.144 176.270 176.300 0.189 0.000 1.183 302 D CA -0.560 53.530 54.000 0.151 0.000 0.844 302 D CB 2.125 43.067 40.800 0.237 0.000 1.555 302 D HN 0.108 nan 8.370 nan 0.000 0.453 303 G N 0.362 109.330 108.800 0.279 0.000 2.510 303 G HA2 0.170 4.130 3.960 -0.000 0.000 0.277 303 G HA3 0.170 4.130 3.960 -0.000 0.000 0.277 303 G C 0.696 175.776 174.900 0.300 0.000 1.223 303 G CA -0.064 45.182 45.100 0.242 0.000 0.887 303 G HN 0.562 nan 8.290 nan 0.000 0.485 304 I N -1.963 118.707 120.570 0.166 0.000 2.830 304 I HA 0.163 4.333 4.170 -0.000 0.000 0.263 304 I C 1.474 177.557 176.117 -0.056 0.000 1.230 304 I CA 1.154 62.479 61.300 0.043 0.000 1.480 304 I CB -0.101 37.818 38.000 -0.135 0.000 1.095 304 I HN 0.305 nan 8.210 nan 0.000 0.455 305 Y N 1.861 122.271 120.300 0.183 0.000 2.466 305 Y HA 0.408 4.958 4.550 -0.000 0.000 0.272 305 Y C 1.766 177.788 175.900 0.203 0.000 1.169 305 Y CA 0.235 58.461 58.100 0.211 0.000 1.285 305 Y CB 0.314 38.956 38.460 0.305 0.000 1.078 305 Y HN 0.266 nan 8.280 nan 0.000 0.523 306 G N -1.587 107.385 108.800 0.288 0.000 3.364 306 G HA2 0.074 4.034 3.960 -0.000 0.000 0.191 306 G HA3 0.074 4.034 3.960 -0.000 0.000 0.191 306 G C 1.029 175.992 174.900 0.105 0.000 1.352 306 G CA 0.106 45.322 45.100 0.193 0.000 0.758 306 G HN -0.005 nan 8.290 nan 0.000 0.730 307 S N 0.285 115.992 115.700 0.011 0.000 2.447 307 S HA 0.037 4.507 4.470 -0.000 0.000 0.233 307 S C 1.368 175.733 174.600 -0.391 0.000 1.006 307 S CA 0.875 58.938 58.200 -0.228 0.000 0.957 307 S CB -0.257 62.696 63.200 -0.411 0.000 0.773 307 S HN 0.310 nan 8.310 nan 0.000 0.507 308 F N 1.947 121.904 119.950 0.012 0.000 2.664 308 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 308 F C 2.129 177.991 175.800 0.103 0.000 1.126 308 F CA -0.217 57.815 58.000 0.054 0.000 1.373 308 F CB -0.492 38.539 39.000 0.053 0.000 1.042 308 F HN 0.155 nan 8.300 nan 0.000 0.535 309 S N -0.603 115.220 115.700 0.205 0.000 2.440 309 S HA -0.160 4.310 4.470 -0.000 0.000 0.238 309 S C 2.423 177.183 174.600 0.267 0.000 1.010 309 S CA 1.096 59.421 58.200 0.209 0.000 0.972 309 S CB -1.063 62.317 63.200 0.301 0.000 0.774 309 S HN 0.416 nan 8.310 nan 0.000 0.501 310 G N 1.948 110.928 108.800 0.301 0.000 2.479 310 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.220 310 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.220 310 G C 1.327 176.350 174.900 0.205 0.000 1.115 310 G CA 0.815 46.109 45.100 0.323 0.000 0.757 310 G HN 0.549 nan 8.290 nan 0.000 0.560 311 L N -0.859 120.497 121.223 0.220 0.000 2.127 311 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 311 L C 2.722 179.568 176.870 -0.040 0.000 1.089 311 L CA 1.370 56.255 54.840 0.074 0.000 0.757 311 L CB -0.282 41.840 42.059 0.105 0.000 0.899 311 L HN 0.329 nan 8.230 nan 0.000 0.434 312 M N -0.926 118.616 119.600 -0.097 0.000 2.276 312 M HA 0.003 4.483 4.480 -0.000 0.000 0.262 312 M C 1.670 177.816 176.300 -0.256 0.000 1.098 312 M CA 1.788 56.918 55.300 -0.282 0.000 1.167 312 M CB -0.146 32.122 32.600 -0.553 0.000 1.337 312 M HN -0.033 nan 8.290 nan 0.000 0.446 313 F N -0.599 119.340 119.950 -0.017 0.000 2.569 313 F HA 0.155 4.682 4.527 -0.000 0.000 0.295 313 F C 1.386 177.155 175.800 -0.052 0.000 1.115 313 F CA 0.714 58.699 58.000 -0.025 0.000 1.450 313 F CB -0.194 38.807 39.000 0.002 0.000 1.107 313 F HN 0.225 nan 8.300 nan 0.000 0.563 314 D N -0.869 119.607 120.400 0.127 0.000 2.479 314 D HA 0.028 4.668 4.640 -0.000 0.000 0.218 314 D C -0.063 176.196 176.300 -0.068 0.000 1.177 314 D CA 0.168 54.174 54.000 0.010 0.000 0.830 314 D CB -0.131 40.704 40.800 0.058 0.000 1.014 314 D HN 0.006 nan 8.370 nan 0.000 0.503 315 D N -0.414 119.947 120.400 -0.066 0.000 2.751 315 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 315 D C -0.416 175.774 176.300 -0.184 0.000 1.149 315 D CA 0.902 54.838 54.000 -0.107 0.000 0.682 315 D CB -1.114 39.632 40.800 -0.090 0.000 1.068 315 D HN 0.331 nan 8.370 nan 0.000 0.429 316 A N 0.580 123.261 122.820 -0.231 0.000 2.271 316 A HA 0.775 5.094 4.320 -0.000 0.000 0.288 316 A C 0.366 177.632 177.584 -0.529 0.000 1.094 316 A CA -0.235 51.504 52.037 -0.497 0.000 0.828 316 A CB 0.987 19.611 19.000 -0.627 0.000 1.091 316 A HN 0.340 nan 8.150 nan 0.000 0.493 317 R N 0.427 120.485 120.500 -0.737 0.000 2.510 317 R HA 0.474 4.814 4.340 -0.000 0.000 0.287 317 R C -2.199 173.824 176.300 -0.461 0.000 1.084 317 R CA -0.342 55.482 56.100 -0.460 0.000 0.934 317 R CB 1.022 31.197 30.300 -0.209 0.000 1.201 317 R HN 0.743 nan 8.270 nan 0.000 0.431 318 Y N 3.495 123.877 120.300 0.137 0.000 2.387 318 Y HA 0.452 5.002 4.550 -0.000 0.000 0.336 318 Y C -1.848 174.154 175.900 0.170 0.000 1.067 318 Y CA -2.796 55.443 58.100 0.230 0.000 1.114 318 Y CB 1.058 39.683 38.460 0.276 0.000 1.208 318 Y HN 0.475 nan 8.280 nan 0.000 0.458 319 P HA 0.169 nan 4.420 nan 0.000 0.268 319 P C -0.991 176.419 177.300 0.183 0.000 1.204 319 P CA 0.177 63.384 63.100 0.179 0.000 0.768 319 P CB 0.555 32.333 31.700 0.130 0.000 0.842 320 L N 2.077 123.373 121.223 0.122 0.000 2.362 320 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 320 L C 0.501 177.400 176.870 0.048 0.000 1.002 320 L CA -0.340 54.558 54.840 0.095 0.000 0.818 320 L CB 2.455 44.551 42.059 0.063 0.000 1.298 320 L HN 0.342 nan 8.230 nan 0.000 0.420 321 T N 0.018 114.593 114.554 0.036 0.000 2.778 321 T HA 0.723 5.073 4.350 -0.000 0.000 0.293 321 T C -1.061 173.636 174.700 -0.005 0.000 1.144 321 T CA -0.240 61.867 62.100 0.012 0.000 1.010 321 T CB 2.030 70.908 68.868 0.016 0.000 1.325 321 T HN 0.762 nan 8.240 nan 0.000 0.515 322 T N -0.136 114.408 114.554 -0.017 0.000 2.906 322 T HA 0.584 4.934 4.350 -0.000 0.000 0.295 322 T C 1.386 176.074 174.700 -0.020 0.000 1.061 322 T CA -0.832 61.248 62.100 -0.034 0.000 1.000 322 T CB 1.119 69.948 68.868 -0.065 0.000 1.103 322 T HN 0.466 nan 8.240 nan 0.000 0.486 323 I N 0.067 120.626 120.570 -0.019 0.000 2.202 323 I HA -0.027 4.143 4.170 -0.000 0.000 0.242 323 I C 1.385 177.496 176.117 -0.010 0.000 1.091 323 I CA 0.888 62.184 61.300 -0.007 0.000 1.368 323 I CB -0.124 37.876 38.000 -0.000 0.000 1.058 323 I HN 0.520 nan 8.210 nan 0.000 0.410 324 K N 3.128 123.515 120.400 -0.022 0.000 2.472 324 K HA 0.063 4.383 4.320 -0.000 0.000 0.280 324 K C -0.325 176.266 176.600 -0.016 0.000 1.028 324 K CA 0.427 56.702 56.287 -0.020 0.000 1.045 324 K CB 0.446 32.926 32.500 -0.032 0.000 0.902 324 K HN 0.181 nan 8.250 nan 0.000 0.478 325 Q N 0.695 120.491 119.800 -0.007 0.000 2.421 325 Q HA 0.504 4.844 4.340 -0.000 0.000 0.280 325 Q C -0.114 175.886 176.000 0.000 0.000 1.085 325 Q CA -0.544 55.256 55.803 -0.004 0.000 0.807 325 Q CB 2.475 31.212 28.738 -0.001 0.000 1.405 325 Q HN 0.866 nan 8.270 nan 0.000 0.419 326 G N -0.057 108.744 108.800 0.002 0.000 2.699 326 G HA2 0.312 4.272 3.960 -0.000 0.000 0.686 326 G HA3 0.312 4.272 3.960 -0.000 0.000 0.686 326 G C 0.130 175.035 174.900 0.007 0.000 1.301 326 G CA -0.138 44.965 45.100 0.005 0.000 0.816 326 G HN 1.350 nan 8.290 nan 0.000 0.595 327 G N -0.453 108.352 108.800 0.009 0.000 2.693 327 G HA2 0.210 4.170 3.960 -0.000 0.000 0.226 327 G HA3 0.210 4.170 3.960 -0.000 0.000 0.226 327 G C 0.179 175.087 174.900 0.014 0.000 1.354 327 G CA 0.989 46.096 45.100 0.012 0.000 0.873 327 G HN 1.964 nan 8.290 nan 0.000 0.562 328 E N -0.153 120.057 120.200 0.017 0.000 2.415 328 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 328 E C 0.613 177.226 176.600 0.022 0.000 1.016 328 E CA -0.279 56.132 56.400 0.019 0.000 0.924 328 E CB 0.033 29.745 29.700 0.022 0.000 0.961 328 E HN 0.438 nan 8.360 nan 0.000 0.459 329 L N 6.458 127.692 121.223 0.018 0.000 2.319 329 L HA 0.329 4.669 4.340 -0.000 0.000 0.280 329 L C 0.063 176.947 176.870 0.022 0.000 1.099 329 L CA -0.296 54.556 54.840 0.020 0.000 0.828 329 L CB 0.571 42.637 42.059 0.012 0.000 1.150 329 L HN 0.532 nan 8.230 nan 0.000 0.442 330 I N 4.683 125.272 120.570 0.033 0.000 2.433 330 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 330 I C -2.259 173.868 176.117 0.017 0.000 1.001 330 I CA -2.332 58.986 61.300 0.030 0.000 1.119 330 I CB 2.200 40.230 38.000 0.050 0.000 1.289 330 I HN 0.299 nan 8.210 nan 0.000 0.438 331 P HA 0.094 nan 4.420 nan 0.000 0.262 331 P C -0.974 176.290 177.300 -0.060 0.000 1.199 331 P CA 0.350 63.431 63.100 -0.031 0.000 0.763 331 P CB 0.544 32.227 31.700 -0.028 0.000 0.790 332 S N 1.375 117.020 115.700 -0.092 0.000 2.627 332 S HA 0.660 5.130 4.470 -0.000 0.000 0.283 332 S C -0.788 173.637 174.600 -0.291 0.000 1.127 332 S CA -0.677 57.430 58.200 -0.154 0.000 0.863 332 S CB 1.612 64.829 63.200 0.029 0.000 1.121 332 S HN 0.086 nan 8.310 nan 0.000 0.479 333 V N 1.926 121.545 119.914 -0.491 0.000 2.588 333 V HA 0.486 4.606 4.120 -0.000 0.000 0.304 333 V C -1.076 174.711 176.094 -0.512 0.000 1.042 333 V CA -0.601 61.264 62.300 -0.726 0.000 0.877 333 V CB 1.552 32.376 31.823 -1.665 0.000 0.996 333 V HN 0.700 nan 8.190 nan 0.000 0.425 334 L N 3.744 124.742 121.223 -0.376 0.000 2.276 334 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 334 L C 0.296 177.000 176.870 -0.277 0.000 1.024 334 L CA 0.075 54.769 54.840 -0.243 0.000 0.826 334 L CB 1.624 43.565 42.059 -0.198 0.000 1.211 334 L HN 0.716 nan 8.230 nan 0.000 0.422 335 S N 1.991 117.566 115.700 -0.209 0.000 2.593 335 S HA 0.751 5.220 4.470 -0.000 0.000 0.297 335 S C 0.270 174.869 174.600 -0.001 0.000 1.112 335 S CA -0.368 57.790 58.200 -0.070 0.000 1.043 335 S CB 1.667 64.891 63.200 0.039 0.000 1.054 335 S HN 0.649 nan 8.310 nan 0.000 0.516 336 G N 2.080 110.909 108.800 0.047 0.000 2.563 336 G HA2 0.440 4.400 3.960 -0.000 0.000 0.283 336 G HA3 0.440 4.400 3.960 -0.000 0.000 0.283 336 G C -1.821 173.107 174.900 0.048 0.000 1.309 336 G CA -1.124 44.004 45.100 0.047 0.000 1.022 336 G HN 0.599 nan 8.290 nan 0.000 0.501 337 P HA 0.037 nan 4.420 nan 0.000 0.235 337 P C 1.167 178.216 177.300 -0.417 0.000 1.177 337 P CA 0.695 63.532 63.100 -0.440 0.000 0.785 337 P CB -0.089 30.963 31.700 -1.080 0.000 0.885 338 T N -1.732 112.745 114.554 -0.130 0.000 2.766 338 T HA 0.083 4.433 4.350 -0.000 0.000 0.295 338 T C 1.244 176.033 174.700 0.148 0.000 1.024 338 T CA -0.389 61.763 62.100 0.087 0.000 1.018 338 T CB -0.025 68.944 68.868 0.168 0.000 1.002 338 T HN 0.089 nan 8.240 nan 0.000 0.532 339 C N 0.300 119.666 119.300 0.109 0.000 2.539 339 C HA 0.200 4.659 4.460 -0.000 0.000 0.271 339 C C 0.932 176.014 174.990 0.153 0.000 1.412 339 C CA -0.682 58.396 59.018 0.099 0.000 1.729 339 C CB -1.881 25.876 27.740 0.029 0.000 1.739 339 C HN 0.830 nan 8.230 nan 0.000 0.570 340 D N 1.339 121.889 120.400 0.250 0.000 2.277 340 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 340 D C 1.302 177.750 176.300 0.248 0.000 1.134 340 D CA 0.343 54.520 54.000 0.294 0.000 0.863 340 D CB 1.373 42.467 40.800 0.490 0.000 1.143 340 D HN 0.368 nan 8.370 nan 0.000 0.458 341 S N 2.213 118.024 115.700 0.185 0.000 2.442 341 S HA -0.161 4.309 4.470 -0.000 0.000 0.236 341 S C 1.954 176.659 174.600 0.175 0.000 1.007 341 S CA 0.617 58.921 58.200 0.173 0.000 0.965 341 S CB -0.164 63.107 63.200 0.119 0.000 0.773 341 S HN 0.377 nan 8.310 nan 0.000 0.504 342 V N 2.109 122.117 119.914 0.157 0.000 2.809 342 V HA -0.036 4.084 4.120 -0.000 0.000 0.256 342 V C 0.674 176.818 176.094 0.085 0.000 1.080 342 V CA 1.571 63.927 62.300 0.094 0.000 1.102 342 V CB -0.656 31.195 31.823 0.047 0.000 0.705 342 V HN 0.475 nan 8.190 nan 0.000 0.475 343 D N 0.912 121.420 120.400 0.180 0.000 2.551 343 D HA 0.179 4.819 4.640 -0.000 0.000 0.223 343 D C -0.636 175.735 176.300 0.118 0.000 1.144 343 D CA 0.378 54.480 54.000 0.169 0.000 1.025 343 D CB 0.017 41.019 40.800 0.337 0.000 1.085 343 D HN 0.199 nan 8.370 nan 0.000 0.506 344 V N 4.762 124.695 119.914 0.032 0.000 2.638 344 V HA 0.272 4.392 4.120 -0.000 0.000 0.306 344 V C 1.290 177.318 176.094 -0.111 0.000 1.052 344 V CA -0.645 61.629 62.300 -0.044 0.000 0.885 344 V CB 1.954 33.748 31.823 -0.047 0.000 0.999 344 V HN 0.297 nan 8.190 nan 0.000 0.424 345 I N 2.667 123.121 120.570 -0.193 0.000 2.731 345 I HA 0.365 4.535 4.170 -0.000 0.000 0.260 345 I C 1.017 177.007 176.117 -0.212 0.000 1.138 345 I CA 0.892 62.035 61.300 -0.263 0.000 1.461 345 I CB 0.376 38.048 38.000 -0.546 0.000 1.128 345 I HN 0.660 nan 8.210 nan 0.000 0.438 346 A N 0.437 123.121 122.820 -0.226 0.000 2.446 346 A HA 0.390 4.710 4.320 -0.000 0.000 0.282 346 A C 0.330 177.765 177.584 -0.249 0.000 1.102 346 A CA -0.504 51.418 52.037 -0.193 0.000 0.737 346 A CB 0.707 19.605 19.000 -0.169 0.000 1.212 346 A HN 0.163 nan 8.150 nan 0.000 0.434 347 E N 0.928 121.002 120.200 -0.210 0.000 2.208 347 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 347 E C 0.060 176.510 176.600 -0.249 0.000 0.988 347 E CA 0.825 57.077 56.400 -0.245 0.000 0.828 347 E CB 0.172 29.784 29.700 -0.148 0.000 0.763 347 E HN 0.584 nan 8.360 nan 0.000 0.478 348 N N 0.158 118.749 118.700 -0.181 0.000 2.519 348 N HA 0.323 5.063 4.740 -0.000 0.000 0.291 348 N C -1.924 173.517 175.510 -0.114 0.000 1.107 348 N CA -0.350 52.612 53.050 -0.147 0.000 0.904 348 N CB 1.160 39.588 38.487 -0.098 0.000 1.500 348 N HN 0.011 nan 8.380 nan 0.000 0.510 349 I N 3.119 123.624 120.570 -0.108 0.000 2.680 349 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 349 I C -1.382 174.710 176.117 -0.042 0.000 1.244 349 I CA -0.795 60.464 61.300 -0.069 0.000 1.042 349 I CB 1.353 39.309 38.000 -0.073 0.000 1.277 349 I HN 0.395 nan 8.210 nan 0.000 0.423 350 L N 7.690 128.898 121.223 -0.024 0.000 2.319 350 L HA 0.494 4.834 4.340 -0.000 0.000 0.280 350 L C -0.838 176.035 176.870 0.006 0.000 1.099 350 L CA -0.199 54.638 54.840 -0.006 0.000 0.828 350 L CB 0.739 42.795 42.059 -0.005 0.000 1.150 350 L HN 0.448 nan 8.230 nan 0.000 0.442 351 L N 4.885 126.126 121.223 0.030 0.000 2.434 351 L HA 0.567 4.906 4.340 -0.000 0.000 0.260 351 L C -2.375 174.522 176.870 0.046 0.000 0.983 351 L CA -2.071 52.788 54.840 0.031 0.000 0.820 351 L CB 2.712 44.796 42.059 0.043 0.000 1.361 351 L HN 0.350 nan 8.230 nan 0.000 0.410 352 P HA 0.005 nan 4.420 nan 0.000 0.270 352 P C -1.001 176.332 177.300 0.055 0.000 1.223 352 P CA -0.464 62.653 63.100 0.027 0.000 0.785 352 P CB 0.602 32.304 31.700 0.003 0.000 0.923 353 K N 1.875 122.322 120.400 0.078 0.000 2.436 353 K HA 0.122 4.442 4.320 -0.000 0.000 0.282 353 K C -0.640 176.000 176.600 0.066 0.000 1.044 353 K CA 0.631 56.997 56.287 0.130 0.000 1.028 353 K CB -0.952 31.611 32.500 0.105 0.000 0.919 353 K HN 0.342 nan 8.250 nan 0.000 0.474 354 L N 4.339 125.595 121.223 0.056 0.000 2.331 354 L HA 0.413 4.752 4.340 -0.000 0.000 0.275 354 L C 0.193 177.093 176.870 0.049 0.000 1.022 354 L CA -0.983 53.795 54.840 -0.104 0.000 0.812 354 L CB 1.853 43.586 42.059 -0.543 0.000 1.257 354 L HN 0.717 nan 8.230 nan 0.000 0.435 355 N N 0.880 119.594 118.700 0.022 0.000 2.495 355 N HA 0.220 4.959 4.740 -0.000 0.000 0.280 355 N C -0.638 174.908 175.510 0.059 0.000 1.168 355 N CA -0.842 52.245 53.050 0.063 0.000 0.978 355 N CB 0.556 39.069 38.487 0.043 0.000 1.191 355 N HN 0.500 nan 8.380 nan 0.000 0.497 356 N N 0.546 119.301 118.700 0.092 0.000 2.407 356 N HA 0.078 4.818 4.740 -0.000 0.000 0.250 356 N C 1.290 176.833 175.510 0.056 0.000 1.236 356 N CA 1.083 54.187 53.050 0.089 0.000 0.879 356 N CB 0.462 39.006 38.487 0.096 0.000 1.088 356 N HN 0.885 nan 8.380 nan 0.000 0.450 357 G N 0.895 109.726 108.800 0.051 0.000 2.225 357 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 357 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 357 G C -0.080 174.829 174.900 0.016 0.000 0.988 357 G CA 0.105 45.227 45.100 0.037 0.000 0.625 357 G HN 0.600 nan 8.290 nan 0.000 0.527 358 D N 0.534 120.930 120.400 -0.008 0.000 2.368 358 D HA 0.476 5.116 4.640 -0.000 0.000 0.240 358 D C 1.104 177.376 176.300 -0.046 0.000 1.169 358 D CA 0.190 54.167 54.000 -0.038 0.000 0.906 358 D CB 0.636 41.388 40.800 -0.080 0.000 1.187 358 D HN 0.357 nan 8.370 nan 0.000 0.435 359 L N 0.777 121.976 121.223 -0.040 0.000 2.322 359 L HA 0.484 4.824 4.340 -0.000 0.000 0.279 359 L C -0.270 176.575 176.870 -0.042 0.000 1.036 359 L CA -0.989 53.837 54.840 -0.024 0.000 0.807 359 L CB 1.623 43.682 42.059 -0.001 0.000 1.226 359 L HN -0.049 nan 8.230 nan 0.000 0.433 360 V N 4.019 123.919 119.914 -0.022 0.000 2.487 360 V HA 0.470 4.590 4.120 -0.000 0.000 0.298 360 V C -0.213 175.904 176.094 0.038 0.000 1.028 360 V CA -0.509 61.781 62.300 -0.017 0.000 0.860 360 V CB 2.188 33.986 31.823 -0.043 0.000 0.991 360 V HN 0.403 nan 8.190 nan 0.000 0.427 361 I N 3.770 124.366 120.570 0.043 0.000 2.433 361 I HA 0.669 4.839 4.170 -0.000 0.000 0.292 361 I C 0.611 176.788 176.117 0.100 0.000 1.001 361 I CA -0.436 60.900 61.300 0.060 0.000 1.119 361 I CB 1.585 39.603 38.000 0.030 0.000 1.289 361 I HN 0.693 nan 8.210 nan 0.000 0.438 362 G N 6.191 115.062 108.800 0.118 0.000 2.415 362 G HA2 0.683 4.643 3.960 -0.000 0.000 0.327 362 G HA3 0.683 4.643 3.960 -0.000 0.000 0.327 362 G C -0.348 174.584 174.900 0.053 0.000 1.182 362 G CA -0.586 44.601 45.100 0.146 0.000 0.924 362 G HN 0.385 nan 8.290 nan 0.000 0.470 363 R N 1.020 121.579 120.500 0.099 0.000 2.758 363 R HA 0.629 4.969 4.340 -0.000 0.000 0.265 363 R C 0.239 176.597 176.300 0.098 0.000 1.016 363 R CA -0.600 55.534 56.100 0.056 0.000 1.040 363 R CB 0.240 30.569 30.300 0.047 0.000 1.152 363 R HN 0.709 nan 8.270 nan 0.000 0.503 364 T N 0.587 115.148 114.554 0.013 0.000 4.039 364 T HA -0.106 4.244 4.350 -0.000 0.000 0.352 364 T C 0.572 175.351 174.700 0.131 0.000 0.756 364 T CA 0.785 62.886 62.100 0.002 0.000 1.923 364 T CB -0.872 67.910 68.868 -0.144 0.000 1.848 364 T HN 0.476 nan 8.240 nan 0.000 0.835 365 M N 0.049 119.621 119.600 -0.047 0.000 2.551 365 M HA 0.259 4.739 4.480 -0.000 0.000 0.252 365 M C 2.019 178.232 176.300 -0.145 0.000 1.219 365 M CA 0.568 55.740 55.300 -0.214 0.000 0.978 365 M CB -0.155 32.227 32.600 -0.363 0.000 1.533 365 M HN 0.508 nan 8.290 nan 0.000 0.474 366 G N 0.335 109.103 108.800 -0.053 0.000 2.492 366 G HA2 0.289 4.248 3.960 -0.000 0.000 0.214 366 G HA3 0.289 4.248 3.960 -0.000 0.000 0.214 366 G C 0.472 175.343 174.900 -0.049 0.000 1.147 366 G CA 0.246 45.307 45.100 -0.066 0.000 0.809 366 G HN 0.496 nan 8.290 nan 0.000 0.533 367 A N -0.595 122.233 122.820 0.014 0.000 2.318 367 A HA 0.624 4.944 4.320 -0.000 0.000 0.324 367 A C -0.389 177.202 177.584 0.011 0.000 1.170 367 A CA -0.816 51.158 52.037 -0.105 0.000 0.810 367 A CB 0.308 19.294 19.000 -0.023 0.000 1.198 367 A HN 0.708 nan 8.150 nan 0.000 0.484 368 Y N 1.106 121.468 120.300 0.103 0.000 3.234 368 Y HA -0.307 4.242 4.550 -0.000 0.000 0.207 368 Y C 1.427 177.385 175.900 0.097 0.000 1.316 368 Y CA 1.122 59.277 58.100 0.092 0.000 1.309 368 Y CB -2.548 35.978 38.460 0.111 0.000 1.408 368 Y HN 0.985 nan 8.280 nan 0.000 0.544 369 T N -6.080 108.532 114.554 0.096 0.000 3.409 369 T HA 0.083 4.432 4.350 -0.000 0.000 0.188 369 T C 1.811 176.503 174.700 -0.015 0.000 0.929 369 T CA 0.469 62.568 62.100 -0.003 0.000 1.184 369 T CB -0.582 68.181 68.868 -0.175 0.000 1.570 369 T HN 0.322 nan 8.240 nan 0.000 0.367 370 S N 2.512 118.176 115.700 -0.060 0.000 2.419 370 S HA 0.037 4.507 4.470 -0.000 0.000 0.235 370 S C 2.391 176.984 174.600 -0.012 0.000 1.019 370 S CA 1.073 59.247 58.200 -0.044 0.000 0.982 370 S CB -1.173 61.997 63.200 -0.050 0.000 0.789 370 S HN 0.847 nan 8.310 nan 0.000 0.490 371 A N 1.938 124.758 122.820 -0.001 0.000 2.024 371 A HA -0.030 4.289 4.320 -0.000 0.000 0.220 371 A C 2.296 179.887 177.584 0.012 0.000 1.164 371 A CA 1.825 53.866 52.037 0.006 0.000 0.643 371 A CB -1.117 17.881 19.000 -0.003 0.000 0.806 371 A HN 0.797 nan 8.150 nan 0.000 0.451 372 T N -3.275 111.301 114.554 0.037 0.000 3.174 372 T HA 0.642 4.991 4.350 -0.000 0.000 0.269 372 T C 0.521 175.286 174.700 0.107 0.000 1.017 372 T CA 0.272 62.378 62.100 0.009 0.000 0.899 372 T CB -0.195 68.662 68.868 -0.017 0.000 1.077 372 T HN 0.574 nan 8.240 nan 0.000 0.552 373 A N 2.109 124.982 122.820 0.089 0.000 2.406 373 A HA 0.594 4.914 4.320 -0.000 0.000 0.243 373 A C 0.908 178.584 177.584 0.155 0.000 1.082 373 A CA -0.055 52.055 52.037 0.123 0.000 0.786 373 A CB 0.100 19.126 19.000 0.043 0.000 1.029 373 A HN 0.681 nan 8.150 nan 0.000 0.495 374 T N -2.015 112.680 114.554 0.235 0.000 2.905 374 T HA 0.561 4.911 4.350 -0.000 0.000 0.283 374 T C -0.421 174.437 174.700 0.263 0.000 1.031 374 T CA -0.516 61.746 62.100 0.269 0.000 1.002 374 T CB 1.512 70.613 68.868 0.389 0.000 1.200 374 T HN 0.433 nan 8.240 nan 0.000 0.560 375 D N 0.217 120.790 120.400 0.289 0.000 2.559 375 D HA 0.202 4.841 4.640 -0.000 0.000 0.234 375 D C -0.389 176.127 176.300 0.361 0.000 1.226 375 D CA -0.263 53.931 54.000 0.324 0.000 0.830 375 D CB -0.027 40.968 40.800 0.325 0.000 1.028 375 D HN 0.368 nan 8.370 nan 0.000 0.492 376 F N 1.906 121.924 119.950 0.114 0.000 2.572 376 F HA 0.007 4.534 4.527 -0.000 0.000 0.370 376 F C 1.372 177.146 175.800 -0.043 0.000 1.103 376 F CA 0.276 58.228 58.000 -0.079 0.000 1.286 376 F CB 0.038 38.798 39.000 -0.401 0.000 1.105 376 F HN 0.110 nan 8.300 nan 0.000 0.583 377 N N 3.393 121.608 118.700 -0.808 0.000 2.900 377 N HA -0.296 4.444 4.740 -0.000 0.000 0.240 377 N C 0.006 175.291 175.510 -0.375 0.000 0.953 377 N CA 0.783 53.412 53.050 -0.701 0.000 0.950 377 N CB -0.752 37.459 38.487 -0.460 0.000 1.102 377 N HN 0.574 nan 8.380 nan 0.000 0.593 378 F N -3.287 116.580 119.950 -0.138 0.000 3.069 378 F HA -0.237 4.290 4.527 -0.000 0.000 0.285 378 F C 0.219 175.948 175.800 -0.118 0.000 0.827 378 F CA 0.495 58.439 58.000 -0.093 0.000 1.108 378 F CB -2.589 36.335 39.000 -0.126 0.000 1.252 378 F HN 0.033 nan 8.300 nan 0.000 0.483 379 F N 1.347 121.378 119.950 0.134 0.000 2.572 379 F HA 0.140 4.667 4.527 -0.000 0.000 0.370 379 F C 1.216 177.095 175.800 0.132 0.000 1.103 379 F CA -0.053 58.013 58.000 0.110 0.000 1.286 379 F CB 0.338 39.391 39.000 0.088 0.000 1.105 379 F HN -0.135 nan 8.300 nan 0.000 0.583 380 K N 5.481 126.069 120.400 0.312 0.000 2.448 380 K HA 0.095 4.415 4.320 -0.000 0.000 0.278 380 K C -0.011 176.715 176.600 0.209 0.000 1.009 380 K CA -0.229 56.195 56.287 0.228 0.000 0.995 380 K CB 0.414 33.026 32.500 0.187 0.000 0.917 380 K HN 0.691 nan 8.250 nan 0.000 0.481 381 R N 1.613 122.195 120.500 0.137 0.000 2.594 381 R HA 0.143 4.483 4.340 -0.000 0.000 0.272 381 R C 0.051 176.387 176.300 0.059 0.000 1.074 381 R CA -0.264 55.847 56.100 0.019 0.000 1.105 381 R CB 0.565 30.675 30.300 -0.317 0.000 1.008 381 R HN 0.739 nan 8.270 nan 0.000 0.472 382 A N 2.291 125.132 122.820 0.034 0.000 2.565 382 A HA -0.085 4.235 4.320 -0.000 0.000 0.237 382 A C 0.162 177.766 177.584 0.033 0.000 1.053 382 A CA 0.232 52.289 52.037 0.033 0.000 0.755 382 A CB 0.118 19.117 19.000 -0.003 0.000 0.980 382 A HN 0.725 nan 8.150 nan 0.000 0.506 383 Q N 1.436 121.261 119.800 0.042 0.000 2.267 383 Q HA 0.311 4.651 4.340 -0.000 0.000 0.255 383 Q C -0.565 175.411 176.000 -0.040 0.000 0.923 383 Q CA -0.207 55.611 55.803 0.024 0.000 0.925 383 Q CB 0.667 29.406 28.738 0.002 0.000 1.195 383 Q HN 0.725 nan 8.270 nan 0.000 0.417 384 T N 4.965 119.503 114.554 -0.026 0.000 2.817 384 T HA 0.340 4.690 4.350 -0.000 0.000 0.293 384 T C -0.233 174.380 174.700 -0.145 0.000 0.964 384 T CA -0.360 61.707 62.100 -0.054 0.000 1.085 384 T CB 0.314 69.213 68.868 0.053 0.000 0.921 384 T HN 0.404 nan 8.240 nan 0.000 0.502 385 I N 3.128 123.566 120.570 -0.220 0.000 2.355 385 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 385 I C 0.424 176.382 176.117 -0.264 0.000 0.999 385 I CA -1.231 59.871 61.300 -0.330 0.000 1.163 385 I CB 0.630 38.374 38.000 -0.428 0.000 1.316 385 I HN 0.628 nan 8.210 nan 0.000 0.454 386 A N 8.274 130.925 122.820 -0.281 0.000 2.289 386 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 386 A C -0.364 177.031 177.584 -0.314 0.000 1.208 386 A CA -0.373 51.478 52.037 -0.309 0.000 0.845 386 A CB 0.528 19.337 19.000 -0.319 0.000 1.125 386 A HN 0.695 nan 8.150 nan 0.000 0.517 387 L N 2.116 123.184 121.223 -0.259 0.000 2.342 387 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 387 L C 0.115 176.869 176.870 -0.193 0.000 1.008 387 L CA -0.986 53.730 54.840 -0.207 0.000 0.818 387 L CB 1.340 43.312 42.059 -0.145 0.000 1.296 387 L HN 0.798 nan 8.230 nan 0.000 0.427 388 N N 0.649 119.260 118.700 -0.148 0.000 2.782 388 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 388 N C 0.977 176.393 175.510 -0.157 0.000 1.101 388 N CA 1.343 54.328 53.050 -0.108 0.000 0.764 388 N CB -0.928 37.504 38.487 -0.091 0.000 1.122 388 N HN 0.878 nan 8.380 nan 0.000 0.561 389 E N -0.638 119.410 120.200 -0.254 0.000 2.058 389 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 389 E C -0.263 176.027 176.600 -0.517 0.000 0.997 389 E CA 1.103 57.227 56.400 -0.460 0.000 0.801 389 E CB 0.081 29.380 29.700 -0.668 0.000 0.746 389 E HN 0.286 nan 8.360 nan 0.000 0.450 390 F N 0.642 120.636 119.950 0.073 0.000 2.415 390 F HA 0.309 4.836 4.527 -0.000 0.000 0.348 390 F C 0.254 176.072 175.800 0.029 0.000 1.119 390 F CA -0.181 57.853 58.000 0.056 0.000 1.069 390 F CB 1.508 40.557 39.000 0.082 0.000 1.124 390 F HN 0.038 nan 8.300 nan 0.000 0.472 391 V N 0.000 120.030 119.914 0.194 0.000 2.409 391 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 391 V CA 0.000 62.359 62.300 0.098 0.000 1.235 391 V CB 0.000 31.872 31.823 0.082 0.000 1.184 391 V HN 0.000 nan 8.190 nan 0.000 0.556