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 3i4k_1_H DATA FIRST_RESID 5 DATA SEQUENCE DLTIQKVESR ILDVPLIRPH GFATTTSTEQ HILLVSVHLE NGVIGYGEGV DATA SEQUENCE VPGGPWWGGE SVETXKALVD GYLAPVLIGR AVSELAGIXA DLERVVARAR DATA SEQUENCE YAKAAVDVAX HDAWARSLNV PVRDLLGGTV RDKVDVTWAL GVLPLDVAVA DATA SEQUENCE EIEERIEEFG NRSFKLKXGA GDPAEDTRRV AELAREVGDR VSLRIDINAR DATA SEQUENCE WDRRTALHYL PILAEAGVEL FEQPTPADDL ETLREITRRT NVSVXADESV DATA SEQUENCE WTPAEALAVV KAQAADVIAL KTTKHGGLLE SKKIAAIAEA GGLACHGATS DATA SEQUENCE LEGPIGTAAS LQFAASTKAI SYGTELFGPQ LLKDTYIVQE FEYKDGQVAI DATA SEQUENCE PQGPGLGVDV DXDKVNFYTR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.306 176.300 0.009 0.000 2.045 5 D CA 0.000 54.005 54.000 0.009 0.000 0.868 5 D CB 0.000 40.811 40.800 0.019 0.000 0.688 6 L N 1.672 122.894 121.223 -0.001 0.000 2.591 6 L HA 0.438 4.781 4.340 0.006 0.000 0.228 6 L C 0.104 176.940 176.870 -0.056 0.000 1.133 6 L CA 0.921 55.753 54.840 -0.013 0.000 0.880 6 L CB -0.469 41.578 42.059 -0.021 0.000 1.033 6 L HN 0.037 nan 8.230 nan 0.000 0.450 7 T N 0.651 115.178 114.554 -0.045 0.000 2.946 7 T HA 0.084 4.437 4.350 0.006 0.000 0.311 7 T C 0.239 174.915 174.700 -0.040 0.000 1.063 7 T CA 0.102 62.171 62.100 -0.051 0.000 1.139 7 T CB 0.375 69.223 68.868 -0.033 0.000 0.994 7 T HN -0.126 nan 8.240 nan 0.000 0.547 8 I N 4.152 124.692 120.570 -0.051 0.000 2.337 8 I HA 0.152 4.326 4.170 0.006 0.000 0.291 8 I C 1.330 177.442 176.117 -0.009 0.000 1.046 8 I CA 0.158 61.439 61.300 -0.032 0.000 1.324 8 I CB 1.334 39.304 38.000 -0.050 0.000 1.409 8 I HN 0.542 nan 8.210 nan 0.000 0.494 9 Q N 4.531 124.342 119.800 0.018 0.000 2.107 9 Q HA 0.142 4.485 4.340 0.006 0.000 0.195 9 Q C 0.672 176.687 176.000 0.025 0.000 0.964 9 Q CA 1.029 56.843 55.803 0.017 0.000 0.833 9 Q CB 0.145 28.894 28.738 0.019 0.000 0.910 9 Q HN 0.609 nan 8.270 nan 0.000 0.465 10 K N 0.135 120.578 120.400 0.072 0.000 2.443 10 K HA 0.498 4.822 4.320 0.006 0.000 0.251 10 K C -1.378 175.335 176.600 0.188 0.000 0.972 10 K CA -0.661 55.678 56.287 0.087 0.000 0.833 10 K CB 2.309 34.811 32.500 0.003 0.000 1.317 10 K HN -0.087 nan 8.250 nan 0.000 0.441 11 V N -0.306 119.691 119.914 0.137 0.000 2.524 11 V HA 0.539 4.663 4.120 0.006 0.000 0.297 11 V C -1.086 175.072 176.094 0.106 0.000 1.035 11 V CA -0.795 61.569 62.300 0.107 0.000 0.867 11 V CB 1.220 33.062 31.823 0.032 0.000 1.004 11 V HN 0.884 nan 8.190 nan 0.000 0.426 12 E N 2.970 123.253 120.200 0.140 0.000 2.281 12 E HA 0.857 5.210 4.350 0.006 0.000 0.262 12 E C -0.726 175.924 176.600 0.083 0.000 0.933 12 E CA -0.902 55.567 56.400 0.114 0.000 0.809 12 E CB 2.422 32.223 29.700 0.167 0.000 1.242 12 E HN 0.925 nan 8.360 nan 0.000 0.418 13 S N 1.105 116.847 115.700 0.072 0.000 2.548 13 S HA 0.643 5.117 4.470 0.006 0.000 0.276 13 S C -0.735 173.902 174.600 0.061 0.000 1.129 13 S CA -1.103 57.136 58.200 0.065 0.000 0.931 13 S CB 1.561 64.792 63.200 0.052 0.000 1.068 13 S HN 0.465 nan 8.310 nan 0.000 0.480 14 R N 1.576 122.114 120.500 0.063 0.000 2.575 14 R HA 0.524 4.867 4.340 0.006 0.000 0.293 14 R C -1.062 175.255 176.300 0.028 0.000 0.983 14 R CA -0.658 55.469 56.100 0.046 0.000 0.887 14 R CB 1.901 32.233 30.300 0.053 0.000 1.184 14 R HN 0.654 nan 8.270 nan 0.000 0.445 15 I N 4.802 125.385 120.570 0.023 0.000 2.337 15 I HA 0.187 4.361 4.170 0.006 0.000 0.291 15 I C -0.200 175.931 176.117 0.023 0.000 1.046 15 I CA -0.226 61.088 61.300 0.023 0.000 1.324 15 I CB 0.560 38.571 38.000 0.019 0.000 1.409 15 I HN 0.312 nan 8.210 nan 0.000 0.494 16 L N 6.199 127.427 121.223 0.009 0.000 2.317 16 L HA 0.455 4.798 4.340 0.006 0.000 0.281 16 L C -0.435 176.472 176.870 0.061 0.000 1.024 16 L CA -0.658 54.183 54.840 0.003 0.000 0.810 16 L CB 1.399 43.366 42.059 -0.154 0.000 1.240 16 L HN 0.488 nan 8.230 nan 0.000 0.427 17 D N 3.062 123.534 120.400 0.119 0.000 2.485 17 D HA 0.140 4.783 4.640 0.006 0.000 0.256 17 D C -0.546 175.810 176.300 0.092 0.000 1.141 17 D CA 0.012 54.098 54.000 0.143 0.000 0.942 17 D CB 2.226 43.145 40.800 0.199 0.000 1.003 17 D HN 0.131 nan 8.370 nan 0.000 0.507 18 V N 2.891 122.760 119.914 -0.076 0.000 2.488 18 V HA 0.256 4.379 4.120 0.006 0.000 0.277 18 V C -2.392 173.636 176.094 -0.110 0.000 1.046 18 V CA -1.651 60.498 62.300 -0.252 0.000 0.986 18 V CB 1.367 33.014 31.823 -0.295 0.000 0.989 18 V HN 0.145 nan 8.190 nan 0.000 0.475 19 P HA 0.189 nan 4.420 nan 0.000 0.269 19 P C -1.044 176.254 177.300 -0.005 0.000 1.215 19 P CA -0.138 62.980 63.100 0.031 0.000 0.780 19 P CB 0.463 32.233 31.700 0.117 0.000 0.898 20 L N 2.624 123.852 121.223 0.007 0.000 2.331 20 L HA 0.326 4.669 4.340 0.006 0.000 0.275 20 L C 1.447 178.329 176.870 0.020 0.000 1.022 20 L CA -0.091 54.749 54.840 0.001 0.000 0.812 20 L CB 0.701 42.757 42.059 -0.004 0.000 1.257 20 L HN 0.382 nan 8.230 nan 0.000 0.435 21 I N 0.686 121.267 120.570 0.019 0.000 2.546 21 I HA -0.052 4.121 4.170 0.006 0.000 0.255 21 I C 0.631 176.768 176.117 0.032 0.000 1.163 21 I CA 0.853 62.171 61.300 0.030 0.000 1.457 21 I CB -0.095 37.925 38.000 0.033 0.000 1.092 21 I HN 0.533 nan 8.210 nan 0.000 0.434 22 R N -0.459 120.059 120.500 0.030 0.000 2.739 22 R HA 0.343 4.687 4.340 0.006 0.000 0.271 22 R C -2.658 173.664 176.300 0.037 0.000 1.010 22 R CA -1.678 54.443 56.100 0.036 0.000 0.897 22 R CB 1.300 31.629 30.300 0.048 0.000 1.236 22 R HN -0.312 nan 8.270 nan 0.000 0.466 23 P HA 0.055 nan 4.420 nan 0.000 0.268 23 P C -1.065 176.236 177.300 0.003 0.000 1.485 23 P CA -0.106 63.006 63.100 0.019 0.000 1.102 23 P CB -0.091 31.610 31.700 0.002 0.000 1.501 24 H N 2.498 121.488 119.070 -0.134 0.000 3.160 24 H HA 0.336 4.896 4.556 0.006 0.000 0.257 24 H C 1.013 176.076 175.328 -0.442 0.000 1.140 24 H CA 0.477 56.354 56.048 -0.284 0.000 1.492 24 H CB -0.294 29.303 29.762 -0.274 0.000 1.529 24 H HN 0.350 nan 8.280 nan 0.000 0.490 25 G N 3.847 112.318 108.800 -0.550 0.000 2.420 25 G HA2 0.407 4.370 3.960 0.006 0.000 0.284 25 G HA3 0.407 4.370 3.960 0.006 0.000 0.284 25 G C -0.906 173.561 174.900 -0.720 0.000 1.177 25 G CA -0.355 44.455 45.100 -0.482 0.000 0.841 25 G HN 0.421 nan 8.290 nan 0.000 0.527 26 F N 0.059 119.869 119.950 -0.233 0.000 2.746 26 F HA 0.585 5.115 4.527 0.006 0.000 0.378 26 F C 1.611 177.232 175.800 -0.299 0.000 1.165 26 F CA -0.181 57.653 58.000 -0.276 0.000 1.089 26 F CB 1.115 39.859 39.000 -0.425 0.000 1.439 26 F HN 0.505 nan 8.300 nan 0.000 0.516 27 A N -0.371 122.405 122.820 -0.074 0.000 1.933 27 A HA -0.075 4.249 4.320 0.006 0.000 0.218 27 A C 1.653 179.135 177.584 -0.171 0.000 1.175 27 A CA 2.504 54.475 52.037 -0.111 0.000 0.628 27 A CB -1.242 17.715 19.000 -0.072 0.000 0.814 27 A HN 0.790 nan 8.150 nan 0.000 0.444 28 T N -4.938 109.407 114.554 -0.348 0.000 3.004 28 T HA 0.309 4.663 4.350 0.006 0.000 0.266 28 T C 0.386 174.891 174.700 -0.325 0.000 0.986 28 T CA 0.790 62.712 62.100 -0.297 0.000 0.902 28 T CB -0.117 68.594 68.868 -0.263 0.000 1.118 28 T HN 0.719 nan 8.240 nan 0.000 0.522 29 T N -0.522 113.780 114.554 -0.419 0.000 2.923 29 T HA 0.611 4.964 4.350 0.006 0.000 0.311 29 T C -1.190 173.497 174.700 -0.022 0.000 1.183 29 T CA -0.536 61.426 62.100 -0.230 0.000 1.020 29 T CB 2.017 70.687 68.868 -0.330 0.000 1.165 29 T HN -0.053 nan 8.240 nan 0.000 0.482 30 T N 2.564 117.126 114.554 0.014 0.000 2.792 30 T HA 0.618 4.971 4.350 0.006 0.000 0.280 30 T C -0.108 174.644 174.700 0.086 0.000 0.990 30 T CA -0.522 61.580 62.100 0.004 0.000 0.960 30 T CB 1.375 70.220 68.868 -0.037 0.000 0.939 30 T HN 0.731 nan 8.240 nan 0.000 0.439 31 S N 1.602 117.369 115.700 0.111 0.000 2.585 31 S HA 0.470 4.944 4.470 0.006 0.000 0.277 31 S C 1.248 175.897 174.600 0.081 0.000 1.241 31 S CA -0.736 57.556 58.200 0.153 0.000 1.041 31 S CB 1.148 64.496 63.200 0.247 0.000 0.987 31 S HN 0.914 nan 8.310 nan 0.000 0.512 32 T N -1.938 112.656 114.554 0.067 0.000 3.087 32 T HA 0.325 4.679 4.350 0.006 0.000 0.283 32 T C -0.252 174.462 174.700 0.022 0.000 0.956 32 T CA -0.435 61.693 62.100 0.046 0.000 0.894 32 T CB -0.225 68.676 68.868 0.055 0.000 1.160 32 T HN 0.773 nan 8.240 nan 0.000 0.532 33 E N 0.290 120.476 120.200 -0.023 0.000 2.400 33 E HA 0.480 4.833 4.350 0.006 0.000 0.285 33 E C -1.619 174.810 176.600 -0.286 0.000 1.005 33 E CA -1.108 55.230 56.400 -0.104 0.000 0.816 33 E CB 0.935 30.596 29.700 -0.064 0.000 1.220 33 E HN -0.001 nan 8.360 nan 0.000 0.426 34 Q N 1.814 121.466 119.800 -0.247 0.000 2.230 34 Q HA 0.294 4.637 4.340 0.006 0.000 0.253 34 Q C -1.334 174.459 176.000 -0.344 0.000 0.919 34 Q CA -0.385 55.259 55.803 -0.266 0.000 0.908 34 Q CB 0.953 29.633 28.738 -0.096 0.000 1.245 34 Q HN 0.574 nan 8.270 nan 0.000 0.437 35 H N 4.623 123.706 119.070 0.022 0.000 2.504 35 H HA 0.472 5.031 4.556 0.005 0.000 0.322 35 H C -0.554 174.763 175.328 -0.019 0.000 1.055 35 H CA -0.351 55.699 56.048 0.003 0.000 1.231 35 H CB 0.545 30.312 29.762 0.007 0.000 1.417 35 H HN 0.570 nan 8.280 nan 0.000 0.472 36 I N 3.780 124.396 120.570 0.076 0.000 2.498 36 I HA 0.081 4.254 4.170 0.006 0.000 0.290 36 I C -0.533 175.599 176.117 0.025 0.000 1.032 36 I CA -0.984 60.336 61.300 0.033 0.000 1.073 36 I CB 2.693 40.705 38.000 0.020 0.000 1.251 36 I HN 0.200 nan 8.210 nan 0.000 0.426 37 L N 7.342 128.585 121.223 0.032 0.000 2.270 37 L HA 0.411 4.755 4.340 0.006 0.000 0.286 37 L C -0.836 176.068 176.870 0.057 0.000 1.059 37 L CA -0.342 54.520 54.840 0.037 0.000 0.839 37 L CB 0.848 42.929 42.059 0.037 0.000 1.221 37 L HN 0.468 nan 8.230 nan 0.000 0.431 38 L N 6.693 127.950 121.223 0.056 0.000 2.278 38 L HA 0.476 4.819 4.340 0.006 0.000 0.287 38 L C -0.589 176.360 176.870 0.132 0.000 1.072 38 L CA 0.229 55.139 54.840 0.118 0.000 0.819 38 L CB 1.033 43.150 42.059 0.097 0.000 1.176 38 L HN 0.393 nan 8.230 nan 0.000 0.435 39 V N 4.009 123.999 119.914 0.127 0.000 2.630 39 V HA 0.755 4.878 4.120 0.006 0.000 0.305 39 V C -0.051 176.036 176.094 -0.012 0.000 1.046 39 V CA -0.405 61.934 62.300 0.065 0.000 0.934 39 V CB 1.927 33.776 31.823 0.044 0.000 1.003 39 V HN 0.921 nan 8.190 nan 0.000 0.451 40 S N 2.212 117.841 115.700 -0.119 0.000 2.571 40 S HA 0.750 5.223 4.470 0.006 0.000 0.284 40 S C -1.166 173.157 174.600 -0.461 0.000 1.128 40 S CA -0.712 57.224 58.200 -0.441 0.000 0.970 40 S CB 1.702 64.579 63.200 -0.538 0.000 1.039 40 S HN 0.391 nan 8.310 nan 0.000 0.485 41 V N 4.654 124.256 119.914 -0.520 0.000 2.347 41 V HA 0.403 4.527 4.120 0.006 0.000 0.280 41 V C -0.516 175.303 176.094 -0.458 0.000 1.021 41 V CA -0.508 61.587 62.300 -0.340 0.000 0.847 41 V CB 0.759 32.475 31.823 -0.179 0.000 0.990 41 V HN 0.909 nan 8.190 nan 0.000 0.444 42 H N 5.868 124.889 119.070 -0.081 0.000 2.597 42 H HA 0.469 5.028 4.556 0.006 0.000 0.303 42 H C -0.339 174.966 175.328 -0.038 0.000 1.057 42 H CA -0.333 55.680 56.048 -0.058 0.000 1.261 42 H CB 1.516 31.252 29.762 -0.043 0.000 1.397 42 H HN 0.445 nan 8.280 nan 0.000 0.461 43 L N 1.764 123.018 121.223 0.051 0.000 2.421 43 L HA 0.066 4.409 4.340 0.006 0.000 0.263 43 L C 1.864 178.759 176.870 0.042 0.000 1.122 43 L CA -0.397 54.461 54.840 0.030 0.000 0.804 43 L CB 1.043 43.114 42.059 0.019 0.000 1.150 43 L HN 0.536 nan 8.230 nan 0.000 0.457 44 E N 1.775 121.989 120.200 0.023 0.000 2.209 44 E HA -0.228 4.126 4.350 0.006 0.000 0.196 44 E C 1.296 177.911 176.600 0.027 0.000 0.993 44 E CA 1.739 58.151 56.400 0.021 0.000 0.819 44 E CB -0.139 29.566 29.700 0.009 0.000 0.745 44 E HN 0.699 nan 8.360 nan 0.000 0.477 45 N N -1.523 117.196 118.700 0.032 0.000 2.434 45 N HA 0.023 4.766 4.740 0.006 0.000 0.196 45 N C 1.197 176.733 175.510 0.043 0.000 1.183 45 N CA 0.480 53.552 53.050 0.036 0.000 0.849 45 N CB 0.300 38.812 38.487 0.041 0.000 0.992 45 N HN 0.233 nan 8.380 nan 0.000 0.460 46 G N 0.290 109.119 108.800 0.049 0.000 2.284 46 G HA2 -0.323 3.640 3.960 0.006 0.000 0.247 46 G HA3 -0.323 3.640 3.960 0.006 0.000 0.247 46 G C 0.083 175.029 174.900 0.077 0.000 1.012 46 G CA 0.259 45.395 45.100 0.061 0.000 0.618 46 G HN 0.368 nan 8.290 nan 0.000 0.521 47 V N 1.686 121.639 119.914 0.065 0.000 2.963 47 V HA 0.595 4.718 4.120 0.006 0.000 0.306 47 V C 0.550 176.664 176.094 0.035 0.000 1.077 47 V CA 0.213 62.551 62.300 0.063 0.000 1.124 47 V CB 1.020 32.879 31.823 0.060 0.000 0.987 47 V HN 0.366 nan 8.190 nan 0.000 0.487 48 I N 4.507 125.080 120.570 0.005 0.000 2.582 48 I HA 0.581 4.754 4.170 0.006 0.000 0.292 48 I C 0.369 176.343 176.117 -0.239 0.000 1.066 48 I CA -0.553 60.636 61.300 -0.185 0.000 1.053 48 I CB 1.994 39.866 38.000 -0.213 0.000 1.241 48 I HN 0.718 nan 8.210 nan 0.000 0.421 49 G N 4.140 112.713 108.800 -0.378 0.000 2.388 49 G HA2 0.649 4.613 3.960 0.006 0.000 0.330 49 G HA3 0.649 4.613 3.960 0.006 0.000 0.330 49 G C -1.700 172.915 174.900 -0.475 0.000 1.142 49 G CA -0.243 44.711 45.100 -0.244 0.000 0.908 49 G HN 0.389 nan 8.290 nan 0.000 0.473 50 Y N -0.018 120.297 120.300 0.025 0.000 2.393 50 Y HA 0.662 5.215 4.550 0.006 0.000 0.341 50 Y C 0.698 176.637 175.900 0.065 0.000 0.988 50 Y CA -0.400 57.728 58.100 0.047 0.000 1.078 50 Y CB 2.869 41.377 38.460 0.080 0.000 1.203 50 Y HN 0.787 nan 8.280 nan 0.000 0.453 51 G N 1.913 110.830 108.800 0.195 0.000 2.706 51 G HA2 0.563 4.526 3.960 0.006 0.000 0.297 51 G HA3 0.563 4.526 3.960 0.006 0.000 0.297 51 G C -1.700 173.283 174.900 0.138 0.000 1.403 51 G CA -0.877 44.308 45.100 0.141 0.000 0.954 51 G HN 0.520 nan 8.290 nan 0.000 0.500 52 E N -0.030 120.236 120.200 0.109 0.000 2.191 52 E HA 0.526 4.879 4.350 0.006 0.000 0.278 52 E C -0.046 176.588 176.600 0.057 0.000 0.972 52 E CA -0.753 55.703 56.400 0.093 0.000 0.804 52 E CB 2.121 31.876 29.700 0.091 0.000 1.110 52 E HN 0.518 nan 8.360 nan 0.000 0.394 53 G N 1.844 110.676 108.800 0.053 0.000 2.547 53 G HA2 0.450 4.413 3.960 0.006 0.000 0.327 53 G HA3 0.450 4.413 3.960 0.006 0.000 0.327 53 G C -1.154 173.752 174.900 0.010 0.000 1.118 53 G CA -0.251 44.877 45.100 0.046 0.000 1.022 53 G HN 0.308 nan 8.290 nan 0.000 0.464 54 V N 3.756 123.659 119.914 -0.017 0.000 2.851 54 V HA 0.753 4.876 4.120 0.006 0.000 0.307 54 V C -0.581 175.352 176.094 -0.268 0.000 1.129 54 V CA -0.555 61.684 62.300 -0.102 0.000 0.932 54 V CB 2.289 34.072 31.823 -0.066 0.000 1.024 54 V HN 0.927 nan 8.190 nan 0.000 0.426 55 V N 3.471 123.147 119.914 -0.397 0.000 3.046 55 V HA 0.764 4.887 4.120 0.006 0.000 0.316 55 V C -2.737 173.056 176.094 -0.502 0.000 1.104 55 V CA -2.827 59.054 62.300 -0.697 0.000 1.006 55 V CB 1.789 33.109 31.823 -0.838 0.000 1.058 55 V HN 0.722 nan 8.190 nan 0.000 0.440 56 P HA 0.290 nan 4.420 nan 0.000 0.259 56 P C 0.967 178.148 177.300 -0.199 0.000 1.635 56 P CA 1.588 64.446 63.100 -0.403 0.000 1.199 56 P CB 0.087 31.438 31.700 -0.581 0.000 1.850 57 G N 1.738 110.568 108.800 0.050 0.000 2.812 57 G HA2 -0.116 3.847 3.960 0.006 0.000 0.219 57 G HA3 -0.116 3.847 3.960 0.006 0.000 0.219 57 G C 0.406 175.481 174.900 0.292 0.000 1.275 57 G CA -0.187 45.095 45.100 0.304 0.000 0.769 57 G HN 0.837 nan 8.290 nan 0.000 0.527 58 G N -1.129 107.719 108.800 0.080 0.000 2.561 58 G HA2 0.704 4.667 3.960 0.006 0.000 0.310 58 G HA3 0.704 4.667 3.960 0.006 0.000 0.310 58 G C -2.182 172.589 174.900 -0.214 0.000 1.292 58 G CA 0.562 45.695 45.100 0.055 0.000 0.811 58 G HN 0.376 nan 8.290 nan 0.000 0.482 59 P HA -0.038 nan 4.420 nan 0.000 0.230 59 P C 1.603 178.871 177.300 -0.054 0.000 1.158 59 P CA 0.971 64.027 63.100 -0.075 0.000 0.769 59 P CB -0.076 31.630 31.700 0.009 0.000 0.807 60 W N -1.672 119.650 121.300 0.036 0.000 2.468 60 W HA -0.088 4.575 4.660 0.007 0.000 0.262 60 W C 1.507 178.041 176.519 0.025 0.000 1.241 60 W CA -0.255 57.102 57.345 0.021 0.000 1.232 60 W CB -1.718 27.744 29.460 0.003 0.000 1.124 60 W HN -0.007 nan 8.180 nan 0.000 0.597 61 W N 1.670 122.327 121.300 -1.072 0.000 2.480 61 W HA 0.182 4.845 4.660 0.005 0.000 0.299 61 W C 2.151 178.478 176.519 -0.319 0.000 1.187 61 W CA 2.837 59.578 57.345 -1.008 0.000 1.347 61 W CB -0.176 28.488 29.460 -1.327 0.000 1.121 61 W HN -0.087 nan 8.180 nan 0.000 0.533 62 G N -2.251 106.664 108.800 0.192 0.000 4.517 62 G HA2 0.350 4.313 3.960 0.006 0.000 0.258 62 G HA3 0.350 4.313 3.960 0.006 0.000 0.258 62 G C 0.686 175.791 174.900 0.342 0.000 1.038 62 G CA -0.083 45.311 45.100 0.489 0.000 0.810 62 G HN 0.719 nan 8.290 nan 0.000 0.383 63 G N -0.047 108.832 108.800 0.132 0.000 2.195 63 G HA2 -0.222 3.742 3.960 0.006 0.000 0.246 63 G HA3 -0.222 3.742 3.960 0.006 0.000 0.246 63 G C 0.023 174.962 174.900 0.065 0.000 0.984 63 G CA 0.368 45.522 45.100 0.089 0.000 0.633 63 G HN 0.555 nan 8.290 nan 0.000 0.525 64 E N 0.311 120.534 120.200 0.039 0.000 2.221 64 E HA 0.671 5.025 4.350 0.006 0.000 0.268 64 E C 0.015 176.552 176.600 -0.105 0.000 0.933 64 E CA -0.049 56.346 56.400 -0.008 0.000 0.809 64 E CB 1.975 31.692 29.700 0.029 0.000 1.190 64 E HN 0.574 nan 8.360 nan 0.000 0.406 65 S N -1.003 114.655 115.700 -0.070 0.000 2.638 65 S HA 0.206 4.680 4.470 0.006 0.000 0.274 65 S C 0.894 175.462 174.600 -0.052 0.000 1.157 65 S CA -0.413 57.739 58.200 -0.081 0.000 0.826 65 S CB 0.908 64.076 63.200 -0.053 0.000 1.139 65 S HN 0.384 nan 8.310 nan 0.000 0.474 66 V N -0.849 119.037 119.914 -0.047 0.000 2.469 66 V HA -0.121 4.003 4.120 0.006 0.000 0.251 66 V C 1.915 178.001 176.094 -0.013 0.000 1.064 66 V CA 2.247 64.535 62.300 -0.019 0.000 1.066 66 V CB -1.575 30.247 31.823 -0.002 0.000 0.667 66 V HN 0.837 nan 8.190 nan 0.000 0.461 67 E N 0.875 121.059 120.200 -0.027 0.000 2.028 67 E HA 0.008 4.361 4.350 0.006 0.000 0.190 67 E C 1.498 178.104 176.600 0.010 0.000 0.984 67 E CA 1.239 57.632 56.400 -0.011 0.000 0.800 67 E CB -0.749 28.939 29.700 -0.021 0.000 0.758 67 E HN 0.686 nan 8.360 nan 0.000 0.448 71 A N 2.057 124.920 122.820 0.071 0.000 1.908 71 A HA -0.056 4.267 4.320 0.006 0.000 0.218 71 A C 1.944 179.637 177.584 0.182 0.000 1.181 71 A CA 1.546 53.645 52.037 0.103 0.000 0.627 71 A CB -0.604 18.456 19.000 0.100 0.000 0.818 71 A HN 0.302 nan 8.150 nan 0.000 0.445 72 L N -0.811 120.514 121.223 0.169 0.000 2.072 72 L HA -0.116 4.227 4.340 0.006 0.000 0.205 72 L C 2.527 179.526 176.870 0.215 0.000 1.079 72 L CA 0.852 55.830 54.840 0.230 0.000 0.752 72 L CB -0.654 41.467 42.059 0.103 0.000 0.906 72 L HN 0.240 nan 8.230 nan 0.000 0.436 73 V N 0.088 120.078 119.914 0.127 0.000 2.237 73 V HA -0.287 3.836 4.120 0.006 0.000 0.245 73 V C 2.175 178.312 176.094 0.072 0.000 1.046 73 V CA 2.048 64.403 62.300 0.092 0.000 1.007 73 V CB -0.488 31.375 31.823 0.067 0.000 0.638 73 V HN 0.432 nan 8.190 nan 0.000 0.445 74 D N 0.581 121.013 120.400 0.053 0.000 2.097 74 D HA -0.099 4.545 4.640 0.006 0.000 0.197 74 D C 2.159 178.436 176.300 -0.038 0.000 0.984 74 D CA 1.743 55.751 54.000 0.013 0.000 0.826 74 D CB -0.606 40.198 40.800 0.008 0.000 0.973 74 D HN 0.488 nan 8.370 nan 0.000 0.460 75 G N -1.280 107.486 108.800 -0.056 0.000 2.448 75 G HA2 -0.157 3.806 3.960 0.006 0.000 0.218 75 G HA3 -0.157 3.806 3.960 0.006 0.000 0.218 75 G C 0.863 175.410 174.900 -0.589 0.000 1.135 75 G CA 0.605 45.504 45.100 -0.335 0.000 0.784 75 G HN 0.293 nan 8.290 nan 0.000 0.543 76 Y N -1.408 118.899 120.300 0.010 0.000 2.731 76 Y HA 0.379 4.932 4.550 0.005 0.000 0.269 76 Y C 2.362 178.267 175.900 0.008 0.000 1.156 76 Y CA -0.536 57.570 58.100 0.009 0.000 1.191 76 Y CB 0.019 38.486 38.460 0.011 0.000 1.382 76 Y HN -0.050 nan 8.280 nan 0.000 0.477 77 L N -0.033 121.297 121.223 0.178 0.000 2.023 77 L HA -0.074 4.270 4.340 0.006 0.000 0.205 77 L C 2.683 179.586 176.870 0.055 0.000 1.073 77 L CA 1.287 56.187 54.840 0.100 0.000 0.745 77 L CB -0.856 41.254 42.059 0.086 0.000 0.900 77 L HN 0.258 nan 8.230 nan 0.000 0.435 78 A N 1.106 123.952 122.820 0.043 0.000 1.884 78 A HA -0.188 4.135 4.320 0.006 0.000 0.219 78 A C 0.030 177.618 177.584 0.006 0.000 1.197 78 A CA 2.357 54.405 52.037 0.019 0.000 0.637 78 A CB -2.158 16.851 19.000 0.016 0.000 0.827 78 A HN 0.348 nan 8.150 nan 0.000 0.450 79 P HA -0.092 nan 4.420 nan 0.000 0.223 79 P C 1.312 178.609 177.300 -0.005 0.000 1.144 79 P CA 1.455 64.549 63.100 -0.011 0.000 0.783 79 P CB -0.232 31.452 31.700 -0.027 0.000 0.771 80 V N -0.966 118.951 119.914 0.005 0.000 2.719 80 V HA -0.147 3.976 4.120 0.006 0.000 0.252 80 V C 2.503 178.588 176.094 -0.015 0.000 1.065 80 V CA 1.215 63.515 62.300 0.000 0.000 1.086 80 V CB -1.012 30.818 31.823 0.012 0.000 0.700 80 V HN -0.007 nan 8.190 nan 0.000 0.467 81 L N -0.549 120.663 121.223 -0.018 0.000 2.095 81 L HA 0.125 4.468 4.340 0.006 0.000 0.204 81 L C 1.120 177.968 176.870 -0.037 0.000 1.080 81 L CA 1.006 55.825 54.840 -0.035 0.000 0.759 81 L CB -0.565 41.474 42.059 -0.034 0.000 0.914 81 L HN 0.150 nan 8.230 nan 0.000 0.439 82 I N 0.871 121.427 120.570 -0.024 0.000 2.828 82 I HA 0.032 4.205 4.170 0.006 0.000 0.292 82 I C 1.460 177.561 176.117 -0.027 0.000 1.206 82 I CA 1.055 62.343 61.300 -0.021 0.000 1.420 82 I CB -0.537 37.454 38.000 -0.014 0.000 1.368 82 I HN 0.504 nan 8.210 nan 0.000 0.556 83 G N 5.006 113.789 108.800 -0.029 0.000 2.175 83 G HA2 -0.233 3.730 3.960 0.006 0.000 0.244 83 G HA3 -0.233 3.730 3.960 0.006 0.000 0.244 83 G C 0.282 175.156 174.900 -0.043 0.000 0.982 83 G CA -0.453 44.629 45.100 -0.031 0.000 0.641 83 G HN 0.593 nan 8.290 nan 0.000 0.527 84 R N 0.391 120.856 120.500 -0.057 0.000 2.604 84 R HA 0.730 5.074 4.340 0.006 0.000 0.287 84 R C 0.465 176.699 176.300 -0.110 0.000 0.970 84 R CA -0.129 55.924 56.100 -0.079 0.000 0.946 84 R CB 1.535 31.786 30.300 -0.082 0.000 1.127 84 R HN 0.484 nan 8.270 nan 0.000 0.473 85 A N 1.602 124.342 122.820 -0.134 0.000 2.440 85 A HA 0.055 4.378 4.320 0.006 0.000 0.251 85 A C 1.125 178.525 177.584 -0.306 0.000 1.089 85 A CA -0.384 51.541 52.037 -0.186 0.000 0.779 85 A CB 0.767 19.665 19.000 -0.172 0.000 1.022 85 A HN 0.661 nan 8.150 nan 0.000 0.492 86 V N 2.959 122.649 119.914 -0.375 0.000 3.078 86 V HA -0.135 3.988 4.120 0.006 0.000 0.265 86 V C 2.138 177.562 176.094 -1.118 0.000 1.122 86 V CA 2.510 64.488 62.300 -0.537 0.000 1.141 86 V CB -0.670 30.921 31.823 -0.386 0.000 0.735 86 V HN 1.126 nan 8.190 nan 0.000 0.498 87 S N -1.254 113.764 115.700 -1.138 0.000 2.607 87 S HA 0.047 4.521 4.470 0.006 0.000 0.224 87 S C 1.238 175.371 174.600 -0.778 0.000 0.969 87 S CA 0.641 57.975 58.200 -1.443 0.000 0.927 87 S CB -0.239 62.660 63.200 -0.501 0.000 0.772 87 S HN 0.796 nan 8.310 nan 0.000 0.533 88 E N 0.505 120.377 120.200 -0.546 0.000 2.444 88 E HA 0.194 4.547 4.350 0.006 0.000 0.191 88 E C 1.202 177.640 176.600 -0.270 0.000 1.041 88 E CA -0.311 55.911 56.400 -0.298 0.000 0.883 88 E CB 0.010 29.588 29.700 -0.202 0.000 1.024 88 E HN 0.280 nan 8.360 nan 0.000 0.470 89 L N 1.967 122.948 121.223 -0.404 0.000 2.017 89 L HA -0.368 3.976 4.340 0.006 0.000 0.234 89 L C 2.244 179.049 176.870 -0.108 0.000 1.097 89 L CA 2.689 57.371 54.840 -0.262 0.000 0.816 89 L CB -1.071 40.821 42.059 -0.278 0.000 0.914 89 L HN 0.188 nan 8.230 nan 0.000 0.444 90 A N -1.181 121.613 122.820 -0.044 0.000 1.940 90 A HA -0.110 4.214 4.320 0.006 0.000 0.219 90 A C 2.300 179.878 177.584 -0.009 0.000 1.176 90 A CA 1.901 53.944 52.037 0.011 0.000 0.631 90 A CB -1.502 17.527 19.000 0.048 0.000 0.814 90 A HN 0.664 nan 8.150 nan 0.000 0.446 91 G N -0.365 108.413 108.800 -0.037 0.000 2.403 91 G HA2 0.074 4.038 3.960 0.006 0.000 0.216 91 G HA3 0.074 4.038 3.960 0.006 0.000 0.216 91 G C 0.919 175.799 174.900 -0.034 0.000 1.154 91 G CA 0.624 45.705 45.100 -0.032 0.000 0.784 91 G HN 0.484 nan 8.290 nan 0.000 0.538 95 D N 0.896 121.298 120.400 0.004 0.000 2.269 95 D HA 0.002 4.645 4.640 0.006 0.000 0.208 95 D C 1.791 178.098 176.300 0.013 0.000 0.963 95 D CA 0.836 54.839 54.000 0.005 0.000 0.864 95 D CB -0.002 40.796 40.800 -0.002 0.000 0.936 95 D HN 0.546 nan 8.370 nan 0.000 0.505 96 L N 0.929 122.162 121.223 0.016 0.000 2.141 96 L HA -0.114 4.229 4.340 0.006 0.000 0.209 96 L C 2.202 179.086 176.870 0.024 0.000 1.094 96 L CA 0.796 55.652 54.840 0.026 0.000 0.763 96 L CB -0.256 41.820 42.059 0.029 0.000 0.908 96 L HN -0.103 nan 8.230 nan 0.000 0.437 97 E N 0.529 120.740 120.200 0.018 0.000 2.265 97 E HA -0.185 4.169 4.350 0.006 0.000 0.196 97 E C 2.198 178.803 176.600 0.009 0.000 0.996 97 E CA 0.915 57.322 56.400 0.012 0.000 0.832 97 E CB -0.136 29.571 29.700 0.012 0.000 0.756 97 E HN 0.506 nan 8.360 nan 0.000 0.491 98 R N 0.307 120.815 120.500 0.013 0.000 2.148 98 R HA -0.057 4.286 4.340 0.006 0.000 0.223 98 R C 2.370 178.681 176.300 0.018 0.000 1.088 98 R CA 1.258 57.366 56.100 0.013 0.000 0.985 98 R CB 0.014 30.322 30.300 0.014 0.000 0.880 98 R HN 0.170 nan 8.270 nan 0.000 0.451 99 V N -3.643 116.287 119.914 0.028 0.000 3.379 99 V HA 0.238 4.361 4.120 0.006 0.000 0.249 99 V C 0.539 176.631 176.094 -0.004 0.000 1.184 99 V CA -0.069 62.258 62.300 0.045 0.000 1.106 99 V CB 0.848 32.733 31.823 0.103 0.000 0.826 99 V HN -0.158 nan 8.190 nan 0.000 0.465 100 V N 1.327 121.232 119.914 -0.015 0.000 2.612 100 V HA 0.865 4.988 4.120 0.006 0.000 0.301 100 V C 0.095 176.170 176.094 -0.031 0.000 1.059 100 V CA -0.282 61.983 62.300 -0.058 0.000 0.886 100 V CB 1.107 32.903 31.823 -0.044 0.000 1.007 100 V HN 0.539 nan 8.190 nan 0.000 0.426 101 A N 4.916 127.710 122.820 -0.044 0.000 2.293 101 A HA 0.893 5.216 4.320 0.006 0.000 0.302 101 A C 0.738 178.313 177.584 -0.016 0.000 1.119 101 A CA -0.188 51.834 52.037 -0.026 0.000 0.823 101 A CB 0.500 19.480 19.000 -0.033 0.000 1.097 101 A HN 0.981 nan 8.150 nan 0.000 0.491 102 R N 0.186 120.686 120.500 -0.001 0.000 3.815 102 R HA -0.248 4.096 4.340 0.006 0.000 0.470 102 R C 0.896 177.233 176.300 0.061 0.000 0.241 102 R CA 1.160 57.272 56.100 0.019 0.000 1.481 102 R CB -1.787 28.503 30.300 -0.017 0.000 0.988 102 R HN 2.562 nan 8.270 nan 0.000 0.570 103 A N 0.838 123.719 122.820 0.101 0.000 2.560 103 A HA -0.256 4.068 4.320 0.006 0.000 0.299 103 A C 1.243 178.926 177.584 0.165 0.000 1.484 103 A CA 1.612 53.739 52.037 0.150 0.000 0.749 103 A CB -0.777 18.269 19.000 0.077 0.000 1.072 103 A HN 0.470 nan 8.150 nan 0.000 0.426 104 R N -1.141 119.486 120.500 0.211 0.000 2.096 104 R HA -0.161 4.183 4.340 0.006 0.000 0.235 104 R C 1.482 177.785 176.300 0.005 0.000 1.127 104 R CA 2.212 58.374 56.100 0.103 0.000 0.968 104 R CB -0.586 29.784 30.300 0.118 0.000 0.861 104 R HN 0.817 nan 8.270 nan 0.000 0.440 105 Y N 0.764 121.088 120.300 0.040 0.000 2.181 105 Y HA -0.164 4.391 4.550 0.007 0.000 0.288 105 Y C 2.541 178.424 175.900 -0.028 0.000 1.146 105 Y CA 1.420 59.481 58.100 -0.065 0.000 1.164 105 Y CB -0.494 37.897 38.460 -0.115 0.000 0.982 105 Y HN 0.103 nan 8.280 nan 0.000 0.515 106 A N 0.255 123.176 122.820 0.168 0.000 1.877 106 A HA -0.203 4.121 4.320 0.006 0.000 0.216 106 A C 2.140 179.770 177.584 0.076 0.000 1.186 106 A CA 1.806 53.907 52.037 0.106 0.000 0.620 106 A CB -0.500 18.558 19.000 0.097 0.000 0.822 106 A HN 0.404 nan 8.150 nan 0.000 0.443 107 K N -0.135 120.305 120.400 0.067 0.000 2.147 107 K HA -0.038 4.285 4.320 0.006 0.000 0.205 107 K C 2.242 178.865 176.600 0.037 0.000 1.049 107 K CA 0.955 57.273 56.287 0.050 0.000 0.936 107 K CB -0.331 32.197 32.500 0.047 0.000 0.722 107 K HN 0.448 nan 8.250 nan 0.000 0.446 108 A N 1.869 124.697 122.820 0.014 0.000 1.883 108 A HA -0.181 4.143 4.320 0.006 0.000 0.217 108 A C 2.437 180.037 177.584 0.027 0.000 1.186 108 A CA 1.957 53.989 52.037 -0.008 0.000 0.624 108 A CB -0.798 18.154 19.000 -0.080 0.000 0.822 108 A HN 0.332 nan 8.150 nan 0.000 0.444 109 A N -0.548 122.296 122.820 0.039 0.000 1.873 109 A HA -0.098 4.226 4.320 0.006 0.000 0.218 109 A C 2.242 179.859 177.584 0.055 0.000 1.193 109 A CA 2.084 54.153 52.037 0.053 0.000 0.629 109 A CB -1.140 17.894 19.000 0.058 0.000 0.826 109 A HN 0.490 nan 8.150 nan 0.000 0.447 110 V N 0.933 120.876 119.914 0.049 0.000 2.407 110 V HA -0.253 3.870 4.120 0.006 0.000 0.248 110 V C 2.447 178.573 176.094 0.054 0.000 1.055 110 V CA 2.315 64.638 62.300 0.039 0.000 1.049 110 V CB -0.733 31.110 31.823 0.033 0.000 0.662 110 V HN 0.756 nan 8.190 nan 0.000 0.455 111 D N 0.276 120.725 120.400 0.082 0.000 2.097 111 D HA -0.134 4.509 4.640 0.006 0.000 0.197 111 D C 2.044 178.494 176.300 0.250 0.000 0.984 111 D CA 1.539 55.630 54.000 0.151 0.000 0.826 111 D CB 0.121 41.013 40.800 0.152 0.000 0.973 111 D HN 0.315 nan 8.370 nan 0.000 0.460 112 V N 1.373 121.388 119.914 0.168 0.000 2.626 112 V HA -0.024 4.099 4.120 0.006 0.000 0.252 112 V C 1.669 177.863 176.094 0.166 0.000 1.067 112 V CA 0.945 63.346 62.300 0.168 0.000 1.081 112 V CB -0.723 31.156 31.823 0.093 0.000 0.686 112 V HN 0.319 nan 8.190 nan 0.000 0.468 116 D N 1.652 122.193 120.400 0.234 0.000 2.117 116 D HA -0.029 4.614 4.640 0.006 0.000 0.197 116 D C 2.054 178.434 176.300 0.132 0.000 0.987 116 D CA 1.663 55.760 54.000 0.161 0.000 0.829 116 D CB 0.068 40.958 40.800 0.151 0.000 0.961 116 D HN 0.389 nan 8.370 nan 0.000 0.460 117 A N -0.450 122.436 122.820 0.110 0.000 1.872 117 A HA -0.112 4.211 4.320 0.006 0.000 0.214 117 A C 2.121 179.816 177.584 0.184 0.000 1.187 117 A CA 1.291 53.381 52.037 0.088 0.000 0.614 117 A CB -1.361 17.645 19.000 0.011 0.000 0.826 117 A HN 0.504 nan 8.150 nan 0.000 0.442 118 W N 0.859 122.148 121.300 -0.018 0.000 2.425 118 W HA 0.050 4.710 4.660 0.000 0.000 0.277 118 W C 2.275 178.799 176.519 0.008 0.000 1.231 118 W CA 0.797 58.130 57.345 -0.020 0.000 1.248 118 W CB -0.322 29.104 29.460 -0.057 0.000 1.117 118 W HN 0.376 nan 8.180 nan 0.000 0.568 119 A N 0.453 123.341 122.820 0.113 0.000 1.855 119 A HA -0.099 4.224 4.320 0.006 0.000 0.213 119 A C 2.096 179.681 177.584 0.002 0.000 1.195 119 A CA 1.445 53.468 52.037 -0.023 0.000 0.610 119 A CB -0.658 18.359 19.000 0.028 0.000 0.837 119 A HN 0.264 nan 8.150 nan 0.000 0.444 120 R N 0.080 120.613 120.500 0.054 0.000 2.127 120 R HA -0.073 4.270 4.340 0.006 0.000 0.238 120 R C 2.239 178.570 176.300 0.051 0.000 1.134 120 R CA 1.508 57.639 56.100 0.050 0.000 0.975 120 R CB -0.350 29.991 30.300 0.069 0.000 0.865 120 R HN 0.459 nan 8.270 nan 0.000 0.447 121 S N 0.674 116.423 115.700 0.081 0.000 2.474 121 S HA 0.021 4.494 4.470 0.006 0.000 0.235 121 S C 1.517 176.153 174.600 0.060 0.000 0.997 121 S CA 0.765 59.021 58.200 0.093 0.000 0.949 121 S CB 0.094 63.394 63.200 0.168 0.000 0.766 121 S HN 0.254 nan 8.310 nan 0.000 0.517 122 L N 0.643 121.871 121.223 0.009 0.000 2.693 122 L HA 0.317 4.661 4.340 0.006 0.000 0.235 122 L C 0.742 177.591 176.870 -0.035 0.000 1.127 122 L CA -0.067 54.750 54.840 -0.037 0.000 0.914 122 L CB -0.292 41.683 42.059 -0.141 0.000 1.193 122 L HN 0.215 nan 8.230 nan 0.000 0.502 123 N N 0.313 119.004 118.700 -0.016 0.000 2.753 123 N HA -0.178 4.565 4.740 0.006 0.000 0.251 123 N C -0.288 175.205 175.510 -0.028 0.000 1.097 123 N CA 0.981 54.024 53.050 -0.013 0.000 0.786 123 N CB -0.942 37.540 38.487 -0.008 0.000 1.137 123 N HN 0.291 nan 8.380 nan 0.000 0.566 124 V N -3.687 116.198 119.914 -0.048 0.000 2.769 124 V HA 0.869 4.993 4.120 0.006 0.000 0.312 124 V C -2.280 173.786 176.094 -0.047 0.000 1.058 124 V CA -2.041 60.225 62.300 -0.057 0.000 0.952 124 V CB 1.900 33.669 31.823 -0.090 0.000 1.019 124 V HN -0.095 nan 8.190 nan 0.000 0.445 125 P HA 0.225 nan 4.420 nan 0.000 0.270 125 P C 1.049 178.333 177.300 -0.027 0.000 1.223 125 P CA -0.118 62.967 63.100 -0.025 0.000 0.785 125 P CB 0.836 32.519 31.700 -0.028 0.000 0.923 126 V N 2.853 122.766 119.914 -0.001 0.000 2.332 126 V HA -0.286 3.837 4.120 0.006 0.000 0.248 126 V C 2.409 178.492 176.094 -0.020 0.000 1.055 126 V CA 2.332 64.641 62.300 0.014 0.000 1.038 126 V CB -1.305 30.542 31.823 0.040 0.000 0.651 126 V HN 0.664 nan 8.190 nan 0.000 0.450 127 R N 0.682 121.162 120.500 -0.033 0.000 2.170 127 R HA -0.223 4.121 4.340 0.006 0.000 0.242 127 R C 1.389 177.648 176.300 -0.068 0.000 1.145 127 R CA 2.160 58.225 56.100 -0.058 0.000 0.984 127 R CB -0.762 29.504 30.300 -0.058 0.000 0.869 127 R HN 0.397 nan 8.270 nan 0.000 0.455 128 D N 0.645 121.006 120.400 -0.066 0.000 2.363 128 D HA 0.033 4.676 4.640 0.006 0.000 0.220 128 D C 1.505 177.746 176.300 -0.097 0.000 0.994 128 D CA 0.657 54.609 54.000 -0.080 0.000 0.890 128 D CB 0.173 40.924 40.800 -0.082 0.000 0.906 128 D HN 0.306 nan 8.370 nan 0.000 0.530 129 L N -0.492 120.679 121.223 -0.086 0.000 2.554 129 L HA 0.175 4.518 4.340 0.006 0.000 0.225 129 L C 1.055 177.916 176.870 -0.016 0.000 1.104 129 L CA 0.282 55.070 54.840 -0.088 0.000 0.866 129 L CB 0.311 42.345 42.059 -0.041 0.000 1.047 129 L HN -0.019 nan 8.230 nan 0.000 0.468 130 L N -0.588 120.612 121.223 -0.039 0.000 3.017 130 L HA 0.419 4.763 4.340 0.006 0.000 0.255 130 L C 1.143 177.963 176.870 -0.084 0.000 1.247 130 L CA 0.270 55.078 54.840 -0.053 0.000 1.038 130 L CB 0.291 42.292 42.059 -0.096 0.000 1.380 130 L HN 0.286 nan 8.230 nan 0.000 0.548 131 G N -0.856 107.903 108.800 -0.068 0.000 2.238 131 G HA2 -0.024 3.939 3.960 0.006 0.000 0.217 131 G HA3 -0.024 3.939 3.960 0.006 0.000 0.217 131 G C 0.552 175.408 174.900 -0.072 0.000 0.996 131 G CA -0.299 44.759 45.100 -0.070 0.000 0.632 131 G HN 0.908 nan 8.290 nan 0.000 0.503 132 G N -1.717 107.036 108.800 -0.078 0.000 2.384 132 G HA2 0.498 4.462 3.960 0.006 0.000 0.204 132 G HA3 0.498 4.462 3.960 0.006 0.000 0.204 132 G C 0.049 174.904 174.900 -0.074 0.000 1.237 132 G CA 0.800 45.859 45.100 -0.069 0.000 1.060 132 G HN 2.331 nan 8.290 nan 0.000 0.514 133 T N -2.200 112.316 114.554 -0.062 0.000 2.823 133 T HA 0.693 5.046 4.350 0.006 0.000 0.279 133 T C 0.621 175.287 174.700 -0.057 0.000 0.998 133 T CA 0.347 62.410 62.100 -0.061 0.000 0.994 133 T CB 1.876 70.715 68.868 -0.049 0.000 0.960 133 T HN 1.293 nan 8.240 nan 0.000 0.448 134 V N 2.571 122.447 119.914 -0.063 0.000 3.455 134 V HA 0.351 4.475 4.120 0.006 0.000 0.250 134 V C 0.843 176.912 176.094 -0.042 0.000 1.230 134 V CA 0.557 62.824 62.300 -0.055 0.000 1.105 134 V CB -0.279 31.503 31.823 -0.068 0.000 0.850 134 V HN 1.008 nan 8.190 nan 0.000 0.461 135 R N 0.198 120.672 120.500 -0.044 0.000 2.710 135 R HA 0.457 4.800 4.340 0.006 0.000 0.270 135 R C -1.310 174.971 176.300 -0.032 0.000 1.021 135 R CA -0.160 55.921 56.100 -0.033 0.000 0.889 135 R CB 1.160 31.442 30.300 -0.029 0.000 1.243 135 R HN 0.140 nan 8.270 nan 0.000 0.464 136 D N 0.043 120.428 120.400 -0.026 0.000 2.479 136 D HA 0.164 4.807 4.640 0.006 0.000 0.218 136 D C -0.549 175.738 176.300 -0.022 0.000 1.177 136 D CA -0.310 53.675 54.000 -0.024 0.000 0.830 136 D CB 0.381 41.167 40.800 -0.023 0.000 1.014 136 D HN 0.626 nan 8.370 nan 0.000 0.503 137 K N -0.621 119.767 120.400 -0.020 0.000 2.597 137 K HA 0.616 4.940 4.320 0.006 0.000 0.282 137 K C -1.351 175.240 176.600 -0.016 0.000 0.975 137 K CA -1.147 55.129 56.287 -0.019 0.000 0.867 137 K CB 2.198 34.691 32.500 -0.013 0.000 1.465 137 K HN 0.001 nan 8.250 nan 0.000 0.417 138 V N -2.117 117.788 119.914 -0.014 0.000 3.049 138 V HA 0.522 4.645 4.120 0.006 0.000 0.309 138 V C -1.103 174.992 176.094 0.002 0.000 1.148 138 V CA -0.955 61.338 62.300 -0.012 0.000 0.990 138 V CB 1.908 33.717 31.823 -0.024 0.000 1.039 138 V HN 0.847 nan 8.190 nan 0.000 0.430 139 D N 1.277 121.675 120.400 -0.003 0.000 2.357 139 D HA 0.554 5.197 4.640 0.006 0.000 0.242 139 D C -0.532 175.778 176.300 0.018 0.000 1.153 139 D CA 0.173 54.175 54.000 0.004 0.000 0.918 139 D CB 2.029 42.816 40.800 -0.022 0.000 1.181 139 D HN 0.549 nan 8.370 nan 0.000 0.435 140 V N 1.277 121.221 119.914 0.050 0.000 2.577 140 V HA 0.225 4.349 4.120 0.006 0.000 0.303 140 V C 0.022 176.166 176.094 0.084 0.000 1.042 140 V CA -0.725 61.635 62.300 0.100 0.000 0.872 140 V CB 2.153 34.102 31.823 0.209 0.000 0.998 140 V HN 0.475 nan 8.190 nan 0.000 0.423 141 T N 4.872 119.504 114.554 0.130 0.000 2.767 141 T HA 0.265 4.619 4.350 0.006 0.000 0.288 141 T C -0.540 174.309 174.700 0.247 0.000 0.963 141 T CA -0.142 62.012 62.100 0.090 0.000 1.019 141 T CB 0.789 69.726 68.868 0.116 0.000 0.923 141 T HN 0.693 nan 8.240 nan 0.000 0.468 142 W N 3.670 124.911 121.300 -0.097 0.000 2.338 142 W HA 0.603 5.266 4.660 0.005 0.000 0.307 142 W C -0.613 175.901 176.519 -0.009 0.000 1.167 142 W CA -1.154 56.117 57.345 -0.123 0.000 1.208 142 W CB 0.590 30.012 29.460 -0.064 0.000 1.228 142 W HN 0.671 nan 8.180 nan 0.000 0.499 143 A N 6.250 128.509 122.820 -0.936 0.000 2.305 143 A HA 0.654 4.977 4.320 0.006 0.000 0.322 143 A C -1.490 175.667 177.584 -0.711 0.000 1.187 143 A CA -0.675 51.058 52.037 -0.506 0.000 0.825 143 A CB 1.114 20.068 19.000 -0.076 0.000 1.164 143 A HN 0.556 nan 8.150 nan 0.000 0.498 144 L N 2.779 123.845 121.223 -0.261 0.000 2.280 144 L HA 0.520 4.863 4.340 0.006 0.000 0.287 144 L C 1.156 177.912 176.870 -0.191 0.000 1.023 144 L CA 0.197 54.934 54.840 -0.171 0.000 0.819 144 L CB 1.029 43.067 42.059 -0.035 0.000 1.212 144 L HN 0.874 nan 8.230 nan 0.000 0.420 145 G N 1.765 110.378 108.800 -0.311 0.000 2.590 145 G HA2 0.225 4.188 3.960 0.006 0.000 0.276 145 G HA3 0.225 4.188 3.960 0.006 0.000 0.276 145 G C -0.166 174.558 174.900 -0.293 0.000 1.337 145 G CA -0.574 44.216 45.100 -0.516 0.000 1.030 145 G HN 0.426 nan 8.290 nan 0.000 0.534 146 V N 0.079 119.818 119.914 -0.293 0.000 2.509 146 V HA 0.393 4.517 4.120 0.006 0.000 0.297 146 V C -0.130 175.884 176.094 -0.133 0.000 1.014 146 V CA 0.735 62.932 62.300 -0.172 0.000 1.127 146 V CB -0.721 31.009 31.823 -0.154 0.000 0.925 146 V HN 0.437 nan 8.190 nan 0.000 0.480 147 L N 6.627 127.797 121.223 -0.089 0.000 2.545 147 L HA 0.497 4.840 4.340 0.006 0.000 0.258 147 L C -2.504 174.340 176.870 -0.043 0.000 0.942 147 L CA -1.734 53.068 54.840 -0.063 0.000 0.855 147 L CB 2.423 44.449 42.059 -0.056 0.000 1.374 147 L HN 0.402 nan 8.230 nan 0.000 0.411 148 P HA 0.065 nan 4.420 nan 0.000 0.270 148 P C 0.523 177.810 177.300 -0.021 0.000 1.227 148 P CA -0.478 62.607 63.100 -0.024 0.000 0.788 148 P CB 0.619 32.306 31.700 -0.021 0.000 0.926 149 L N 2.092 123.306 121.223 -0.015 0.000 1.957 149 L HA -0.295 4.048 4.340 0.006 0.000 0.228 149 L C 1.453 178.313 176.870 -0.018 0.000 1.086 149 L CA 2.278 57.110 54.840 -0.013 0.000 0.796 149 L CB -1.463 40.593 42.059 -0.007 0.000 0.900 149 L HN 0.363 nan 8.230 nan 0.000 0.439 150 D N -1.168 119.222 120.400 -0.016 0.000 2.123 150 D HA -0.182 4.461 4.640 0.006 0.000 0.196 150 D C 2.247 178.532 176.300 -0.024 0.000 0.992 150 D CA 1.580 55.568 54.000 -0.019 0.000 0.833 150 D CB -0.335 40.456 40.800 -0.015 0.000 0.954 150 D HN 0.257 nan 8.370 nan 0.000 0.455 151 V N 1.163 121.064 119.914 -0.023 0.000 2.250 151 V HA -0.336 3.787 4.120 0.006 0.000 0.250 151 V C 2.435 178.511 176.094 -0.029 0.000 1.060 151 V CA 2.176 64.463 62.300 -0.023 0.000 1.030 151 V CB -0.972 30.838 31.823 -0.021 0.000 0.643 151 V HN 0.296 nan 8.190 nan 0.000 0.445 152 A N -0.467 122.333 122.820 -0.034 0.000 1.898 152 A HA -0.122 4.202 4.320 0.006 0.000 0.216 152 A C 2.341 179.880 177.584 -0.075 0.000 1.181 152 A CA 1.778 53.788 52.037 -0.046 0.000 0.620 152 A CB -0.693 18.282 19.000 -0.042 0.000 0.819 152 A HN 0.354 nan 8.150 nan 0.000 0.442 153 V N -0.032 119.845 119.914 -0.062 0.000 2.453 153 V HA -0.296 3.828 4.120 0.006 0.000 0.252 153 V C 2.907 178.952 176.094 -0.082 0.000 1.068 153 V CA 2.007 64.265 62.300 -0.070 0.000 1.070 153 V CB -1.238 30.559 31.823 -0.043 0.000 0.664 153 V HN 0.619 nan 8.190 nan 0.000 0.461 154 A N -0.645 122.136 122.820 -0.065 0.000 1.898 154 A HA -0.156 4.167 4.320 0.006 0.000 0.214 154 A C 2.281 179.817 177.584 -0.079 0.000 1.183 154 A CA 1.359 53.359 52.037 -0.061 0.000 0.622 154 A CB -0.396 18.580 19.000 -0.040 0.000 0.824 154 A HN 0.553 nan 8.150 nan 0.000 0.444 155 E N 0.006 120.159 120.200 -0.078 0.000 2.085 155 E HA -0.185 4.169 4.350 0.006 0.000 0.194 155 E C 1.832 178.328 176.600 -0.172 0.000 0.994 155 E CA 1.290 57.643 56.400 -0.078 0.000 0.801 155 E CB -0.220 29.476 29.700 -0.007 0.000 0.743 155 E HN 0.663 nan 8.360 nan 0.000 0.453 156 I N 1.189 121.585 120.570 -0.290 0.000 2.099 156 I HA -0.300 3.873 4.170 0.006 0.000 0.239 156 I C 2.469 178.404 176.117 -0.302 0.000 1.066 156 I CA 1.223 62.173 61.300 -0.583 0.000 1.324 156 I CB -0.396 37.221 38.000 -0.637 0.000 1.037 156 I HN 0.160 nan 8.210 nan 0.000 0.401 157 E N 0.557 120.653 120.200 -0.172 0.000 2.086 157 E HA -0.329 4.024 4.350 0.006 0.000 0.200 157 E C 1.983 178.547 176.600 -0.059 0.000 1.012 157 E CA 1.742 58.093 56.400 -0.082 0.000 0.812 157 E CB -0.435 29.227 29.700 -0.063 0.000 0.743 157 E HN 0.563 nan 8.360 nan 0.000 0.453 158 E N 0.353 120.508 120.200 -0.074 0.000 2.058 158 E HA -0.203 4.150 4.350 0.006 0.000 0.194 158 E C 2.160 178.734 176.600 -0.042 0.000 0.997 158 E CA 0.845 57.209 56.400 -0.061 0.000 0.801 158 E CB 0.168 29.830 29.700 -0.064 0.000 0.746 158 E HN 0.000 nan 8.360 nan 0.000 0.450 159 R N 0.405 120.874 120.500 -0.052 0.000 2.081 159 R HA -0.122 4.222 4.340 0.006 0.000 0.235 159 R C 2.454 178.847 176.300 0.155 0.000 1.131 159 R CA 1.093 57.211 56.100 0.030 0.000 0.960 159 R CB -0.855 29.442 30.300 -0.004 0.000 0.856 159 R HN 0.393 nan 8.270 nan 0.000 0.436 160 I N 0.804 121.479 120.570 0.175 0.000 2.163 160 I HA -0.257 3.916 4.170 0.006 0.000 0.243 160 I C 2.574 178.731 176.117 0.067 0.000 1.085 160 I CA 1.290 62.695 61.300 0.175 0.000 1.347 160 I CB -0.313 37.779 38.000 0.153 0.000 1.044 160 I HN 0.128 nan 8.210 nan 0.000 0.408 161 E N 0.783 120.990 120.200 0.012 0.000 2.028 161 E HA -0.258 4.095 4.350 0.006 0.000 0.191 161 E C 2.043 178.581 176.600 -0.104 0.000 0.988 161 E CA 1.536 57.913 56.400 -0.038 0.000 0.799 161 E CB -0.054 29.616 29.700 -0.050 0.000 0.755 161 E HN 0.504 nan 8.360 nan 0.000 0.447 162 E N -1.485 118.612 120.200 -0.172 0.000 2.076 162 E HA -0.089 4.264 4.350 0.006 0.000 0.190 162 E C 1.354 177.558 176.600 -0.660 0.000 0.979 162 E CA 0.725 56.859 56.400 -0.444 0.000 0.807 162 E CB 0.083 29.434 29.700 -0.582 0.000 0.761 162 E HN 0.146 nan 8.360 nan 0.000 0.454 163 F N -1.283 118.624 119.950 -0.071 0.000 2.746 163 F HA 0.361 4.892 4.527 0.006 0.000 0.313 163 F C 1.309 177.104 175.800 -0.009 0.000 1.095 163 F CA 0.322 58.294 58.000 -0.047 0.000 1.224 163 F CB 1.268 40.195 39.000 -0.122 0.000 1.060 163 F HN 0.123 nan 8.300 nan 0.000 0.584 164 G N 1.493 110.373 108.800 0.133 0.000 2.198 164 G HA2 -0.346 3.617 3.960 0.006 0.000 0.260 164 G HA3 -0.346 3.617 3.960 0.006 0.000 0.260 164 G C -0.191 174.758 174.900 0.081 0.000 1.025 164 G CA 0.049 45.208 45.100 0.098 0.000 0.769 164 G HN 0.421 nan 8.290 nan 0.000 0.507 165 N N -0.561 118.185 118.700 0.076 0.000 2.454 165 N HA 0.391 5.134 4.740 0.006 0.000 0.254 165 N C 1.467 176.856 175.510 -0.201 0.000 1.228 165 N CA 0.234 53.226 53.050 -0.096 0.000 0.900 165 N CB 0.359 38.707 38.487 -0.232 0.000 1.089 165 N HN 0.427 nan 8.380 nan 0.000 0.449 166 R N 0.072 120.446 120.500 -0.209 0.000 2.334 166 R HA 0.116 4.459 4.340 0.006 0.000 0.212 166 R C -0.199 175.964 176.300 -0.229 0.000 0.897 166 R CA 0.096 56.109 56.100 -0.145 0.000 1.056 166 R CB 0.211 30.477 30.300 -0.056 0.000 1.046 166 R HN 0.606 nan 8.270 nan 0.000 0.513 167 S N -0.041 115.398 115.700 -0.437 0.000 2.547 167 S HA 0.622 5.095 4.470 0.006 0.000 0.281 167 S C -0.883 173.363 174.600 -0.591 0.000 1.118 167 S CA -0.848 57.147 58.200 -0.342 0.000 0.947 167 S CB 1.366 64.457 63.200 -0.182 0.000 1.053 167 S HN 0.004 nan 8.310 nan 0.000 0.482 168 F N 1.430 121.432 119.950 0.088 0.000 2.529 168 F HA 0.572 5.103 4.527 0.006 0.000 0.320 168 F C 0.192 176.031 175.800 0.066 0.000 1.118 168 F CA -0.723 57.337 58.000 0.100 0.000 0.915 168 F CB 2.241 41.308 39.000 0.111 0.000 1.161 168 F HN 0.697 nan 8.300 nan 0.000 0.445 169 K N 4.751 125.276 120.400 0.209 0.000 2.240 169 K HA 0.645 4.969 4.320 0.006 0.000 0.271 169 K C -1.591 175.065 176.600 0.092 0.000 1.018 169 K CA -0.429 55.937 56.287 0.130 0.000 0.874 169 K CB 0.763 33.334 32.500 0.118 0.000 1.098 169 K HN 0.728 nan 8.250 nan 0.000 0.458 170 L N 5.089 126.359 121.223 0.078 0.000 2.265 170 L HA 0.378 4.721 4.340 0.006 0.000 0.289 170 L C 0.207 177.078 176.870 0.000 0.000 1.033 170 L CA -0.669 54.188 54.840 0.029 0.000 0.814 170 L CB 1.385 43.466 42.059 0.037 0.000 1.203 170 L HN 0.598 nan 8.230 nan 0.000 0.423 174 A N 0.896 123.733 122.820 0.029 0.000 2.328 174 A HA 0.748 5.071 4.320 0.006 0.000 0.284 174 A C 1.346 178.944 177.584 0.024 0.000 1.160 174 A CA 0.934 52.973 52.037 0.004 0.000 0.818 174 A CB -0.016 18.962 19.000 -0.037 0.000 1.087 174 A HN 2.082 nan 8.150 nan 0.000 0.504 175 G N 2.139 110.945 108.800 0.009 0.000 2.633 175 G HA2 -0.201 3.763 3.960 0.006 0.000 0.263 175 G HA3 -0.201 3.763 3.960 0.006 0.000 0.263 175 G C -0.050 174.845 174.900 -0.008 0.000 1.310 175 G CA 0.358 45.455 45.100 -0.005 0.000 0.914 175 G HN 1.323 nan 8.290 nan 0.000 0.569 176 D N 0.854 121.227 120.400 -0.045 0.000 2.583 176 D HA 0.285 4.929 4.640 0.006 0.000 0.232 176 D C -0.478 175.740 176.300 -0.136 0.000 1.128 176 D CA -0.132 53.809 54.000 -0.099 0.000 0.859 176 D CB 0.833 41.575 40.800 -0.096 0.000 1.169 176 D HN 0.092 nan 8.370 nan 0.000 0.481 177 P HA -0.108 nan 4.420 nan 0.000 0.215 177 P C 0.867 177.781 177.300 -0.643 0.000 1.157 177 P CA 1.565 64.342 63.100 -0.539 0.000 0.863 177 P CB 0.058 31.103 31.700 -1.092 0.000 0.787 178 A N 0.083 122.469 122.820 -0.724 0.000 1.902 178 A HA -0.247 4.076 4.320 0.006 0.000 0.217 178 A C 2.130 179.601 177.584 -0.189 0.000 1.181 178 A CA 1.767 53.500 52.037 -0.508 0.000 0.623 178 A CB -1.255 17.612 19.000 -0.222 0.000 0.818 178 A HN 0.189 nan 8.150 nan 0.000 0.443 179 E N -0.716 119.405 120.200 -0.132 0.000 2.072 179 E HA -0.192 4.162 4.350 0.006 0.000 0.191 179 E C 1.676 178.261 176.600 -0.024 0.000 0.985 179 E CA 0.998 57.365 56.400 -0.055 0.000 0.801 179 E CB -0.180 29.493 29.700 -0.045 0.000 0.750 179 E HN 0.572 nan 8.360 nan 0.000 0.452 180 D N 0.079 120.471 120.400 -0.013 0.000 2.117 180 D HA -0.116 4.528 4.640 0.006 0.000 0.197 180 D C 1.856 178.205 176.300 0.082 0.000 0.987 180 D CA 1.321 55.357 54.000 0.059 0.000 0.829 180 D CB -0.047 40.853 40.800 0.168 0.000 0.961 180 D HN 0.019 nan 8.370 nan 0.000 0.460 181 T N -0.338 114.266 114.554 0.082 0.000 2.701 181 T HA -0.117 4.236 4.350 0.006 0.000 0.263 181 T C 2.009 176.763 174.700 0.090 0.000 1.040 181 T CA 1.155 63.332 62.100 0.129 0.000 1.147 181 T CB -0.162 68.796 68.868 0.150 0.000 0.865 181 T HN 0.061 nan 8.240 nan 0.000 0.426 182 R N 0.966 121.499 120.500 0.055 0.000 2.113 182 R HA -0.099 4.244 4.340 0.006 0.000 0.244 182 R C 2.543 178.869 176.300 0.043 0.000 1.142 182 R CA 1.575 57.706 56.100 0.051 0.000 0.953 182 R CB -0.200 30.118 30.300 0.031 0.000 0.860 182 R HN 0.275 nan 8.270 nan 0.000 0.438 183 R N -0.310 120.209 120.500 0.032 0.000 2.096 183 R HA -0.146 4.197 4.340 0.006 0.000 0.229 183 R C 2.003 178.323 176.300 0.033 0.000 1.134 183 R CA 2.224 58.339 56.100 0.024 0.000 0.917 183 R CB -0.604 29.704 30.300 0.013 0.000 0.832 183 R HN 0.168 nan 8.270 nan 0.000 0.430 184 V N 1.388 121.328 119.914 0.043 0.000 2.469 184 V HA -0.264 3.859 4.120 0.006 0.000 0.251 184 V C 2.505 178.640 176.094 0.067 0.000 1.064 184 V CA 1.880 64.211 62.300 0.052 0.000 1.066 184 V CB -0.807 31.052 31.823 0.059 0.000 0.667 184 V HN 0.610 nan 8.190 nan 0.000 0.461 185 A N -0.328 122.537 122.820 0.075 0.000 1.877 185 A HA -0.246 4.077 4.320 0.006 0.000 0.216 185 A C 2.200 179.820 177.584 0.061 0.000 1.186 185 A CA 1.943 54.028 52.037 0.080 0.000 0.620 185 A CB -0.424 18.628 19.000 0.086 0.000 0.822 185 A HN 0.622 nan 8.150 nan 0.000 0.443 186 E N -0.522 119.706 120.200 0.047 0.000 2.028 186 E HA -0.137 4.216 4.350 0.006 0.000 0.191 186 E C 2.033 178.651 176.600 0.030 0.000 0.988 186 E CA 1.046 57.466 56.400 0.035 0.000 0.799 186 E CB -0.311 29.405 29.700 0.026 0.000 0.755 186 E HN 0.599 nan 8.360 nan 0.000 0.447 187 L N 0.727 121.966 121.223 0.027 0.000 2.187 187 L HA -0.219 4.124 4.340 0.006 0.000 0.213 187 L C 2.258 179.146 176.870 0.031 0.000 1.100 187 L CA 1.075 55.926 54.840 0.018 0.000 0.765 187 L CB -0.172 41.895 42.059 0.013 0.000 0.904 187 L HN 0.103 nan 8.230 nan 0.000 0.437 188 A N 0.280 123.128 122.820 0.048 0.000 1.841 188 A HA -0.203 4.121 4.320 0.006 0.000 0.214 188 A C 2.272 179.888 177.584 0.052 0.000 1.195 188 A CA 1.581 53.655 52.037 0.061 0.000 0.611 188 A CB -0.518 18.529 19.000 0.078 0.000 0.835 188 A HN 0.450 nan 8.150 nan 0.000 0.443 189 R N -0.141 120.387 120.500 0.047 0.000 2.120 189 R HA -0.115 4.229 4.340 0.006 0.000 0.234 189 R C 2.071 178.390 176.300 0.032 0.000 1.123 189 R CA 1.417 57.541 56.100 0.040 0.000 0.975 189 R CB -0.330 29.992 30.300 0.036 0.000 0.866 189 R HN 0.681 nan 8.270 nan 0.000 0.446 190 E N 0.074 120.290 120.200 0.026 0.000 2.051 190 E HA -0.150 4.203 4.350 0.006 0.000 0.192 190 E C 1.912 178.523 176.600 0.018 0.000 0.991 190 E CA 1.599 58.009 56.400 0.017 0.000 0.799 190 E CB 0.157 29.861 29.700 0.007 0.000 0.748 190 E HN 0.137 nan 8.360 nan 0.000 0.449 191 V N -0.450 119.478 119.914 0.023 0.000 2.543 191 V HA 0.062 4.186 4.120 0.006 0.000 0.232 191 V C 2.078 178.204 176.094 0.053 0.000 1.087 191 V CA 1.032 63.351 62.300 0.031 0.000 1.113 191 V CB -1.117 30.720 31.823 0.023 0.000 0.779 191 V HN 0.459 nan 8.190 nan 0.000 0.495 192 G N 1.143 109.983 108.800 0.066 0.000 3.351 192 G HA2 -0.507 3.456 3.960 0.006 0.000 0.389 192 G HA3 -0.507 3.456 3.960 0.006 0.000 0.389 192 G C 1.035 175.977 174.900 0.070 0.000 2.097 192 G CA 1.772 46.916 45.100 0.073 0.000 2.376 192 G HN 0.510 nan 8.290 nan 0.000 0.948 193 D N 0.521 120.954 120.400 0.055 0.000 2.154 193 D HA -0.150 4.494 4.640 0.006 0.000 0.190 193 D C 2.601 178.935 176.300 0.056 0.000 1.003 193 D CA 1.688 55.717 54.000 0.049 0.000 0.849 193 D CB -0.281 40.543 40.800 0.039 0.000 0.942 193 D HN 0.554 nan 8.370 nan 0.000 0.446 194 R N 0.348 120.887 120.500 0.065 0.000 2.148 194 R HA 0.008 4.352 4.340 0.006 0.000 0.223 194 R C 1.057 177.417 176.300 0.101 0.000 1.088 194 R CA 0.512 56.657 56.100 0.075 0.000 0.985 194 R CB 0.187 30.532 30.300 0.075 0.000 0.880 194 R HN 0.220 nan 8.270 nan 0.000 0.451 195 V N -3.810 116.181 119.914 0.129 0.000 3.141 195 V HA 0.441 4.564 4.120 0.006 0.000 0.312 195 V C -0.438 175.733 176.094 0.127 0.000 1.157 195 V CA -1.230 61.163 62.300 0.155 0.000 1.041 195 V CB 2.017 34.032 31.823 0.320 0.000 1.071 195 V HN -0.094 nan 8.190 nan 0.000 0.441 196 S N 1.509 117.263 115.700 0.090 0.000 2.439 196 S HA 0.640 5.113 4.470 0.006 0.000 0.282 196 S C -0.532 174.132 174.600 0.107 0.000 1.170 196 S CA -0.515 57.729 58.200 0.072 0.000 1.054 196 S CB -0.771 62.446 63.200 0.029 0.000 0.956 196 S HN 0.623 nan 8.310 nan 0.000 0.490 197 L N 5.299 126.592 121.223 0.116 0.000 2.317 197 L HA 0.692 5.035 4.340 0.006 0.000 0.281 197 L C -0.021 176.915 176.870 0.110 0.000 1.024 197 L CA -0.886 54.038 54.840 0.140 0.000 0.810 197 L CB 1.476 43.618 42.059 0.139 0.000 1.240 197 L HN 0.578 nan 8.230 nan 0.000 0.427 198 R N 2.394 122.966 120.500 0.120 0.000 2.867 198 R HA 0.789 5.133 4.340 0.006 0.000 0.268 198 R C -1.199 175.177 176.300 0.127 0.000 1.014 198 R CA -0.714 55.453 56.100 0.112 0.000 0.946 198 R CB 1.954 32.306 30.300 0.087 0.000 1.208 198 R HN 0.563 nan 8.270 nan 0.000 0.477 199 I N -2.883 117.775 120.570 0.147 0.000 2.934 199 I HA 0.743 4.917 4.170 0.006 0.000 0.306 199 I C -1.329 174.831 176.117 0.072 0.000 1.110 199 I CA -0.657 60.702 61.300 0.097 0.000 1.019 199 I CB 2.636 40.682 38.000 0.077 0.000 1.227 199 I HN 0.376 nan 8.210 nan 0.000 0.434 200 D N 3.069 123.478 120.400 0.016 0.000 2.970 200 D HA 0.486 5.130 4.640 0.006 0.000 0.230 200 D C -0.537 175.725 176.300 -0.062 0.000 1.276 200 D CA -0.341 53.672 54.000 0.021 0.000 0.910 200 D CB 1.831 42.691 40.800 0.102 0.000 1.590 200 D HN 0.689 nan 8.370 nan 0.000 0.551 201 I N 1.855 122.344 120.570 -0.135 0.000 4.009 201 I HA 0.133 4.306 4.170 0.006 0.000 0.331 201 I C 0.476 176.535 176.117 -0.098 0.000 1.462 201 I CA -0.431 60.719 61.300 -0.249 0.000 1.117 201 I CB -0.181 37.448 38.000 -0.618 0.000 1.091 201 I HN 0.314 nan 8.210 nan 0.000 0.410 202 N N 2.605 121.312 118.700 0.012 0.000 2.708 202 N HA -0.269 4.474 4.740 0.006 0.000 0.251 202 N C 0.872 176.368 175.510 -0.024 0.000 1.017 202 N CA 0.949 54.028 53.050 0.048 0.000 0.742 202 N CB -0.556 38.061 38.487 0.216 0.000 0.943 202 N HN 0.671 nan 8.380 nan 0.000 0.539 203 A N -1.078 121.719 122.820 -0.039 0.000 2.783 203 A HA -0.277 4.046 4.320 0.006 0.000 0.292 203 A C 1.307 178.905 177.584 0.023 0.000 1.495 203 A CA 1.455 53.481 52.037 -0.018 0.000 0.787 203 A CB -0.640 18.328 19.000 -0.053 0.000 1.017 203 A HN 0.428 nan 8.150 nan 0.000 0.516 204 R N -1.990 118.529 120.500 0.032 0.000 2.362 204 R HA 0.148 4.492 4.340 0.006 0.000 0.227 204 R C -0.334 176.134 176.300 0.281 0.000 0.905 204 R CA 0.098 56.262 56.100 0.107 0.000 1.067 204 R CB -0.000 30.345 30.300 0.075 0.000 1.078 204 R HN 0.652 nan 8.270 nan 0.000 0.516 205 W N 1.777 123.076 121.300 -0.002 0.000 2.570 205 W HA 0.206 4.870 4.660 0.006 0.000 0.337 205 W C 0.158 176.681 176.519 0.007 0.000 1.067 205 W CA -1.887 55.459 57.345 0.001 0.000 1.229 205 W CB 0.803 30.266 29.460 0.004 0.000 1.355 205 W HN 0.014 nan 8.180 nan 0.000 0.555 206 D N 0.413 120.928 120.400 0.192 0.000 2.387 206 D HA 0.184 4.827 4.640 0.006 0.000 0.251 206 D C 1.327 177.695 176.300 0.114 0.000 1.141 206 D CA -0.532 53.533 54.000 0.109 0.000 0.987 206 D CB 0.705 41.531 40.800 0.044 0.000 1.116 206 D HN 0.399 nan 8.370 nan 0.000 0.491 207 R N -0.004 120.544 120.500 0.080 0.000 2.112 207 R HA -0.239 4.105 4.340 0.006 0.000 0.242 207 R C 2.150 178.488 176.300 0.063 0.000 1.137 207 R CA 1.589 57.733 56.100 0.074 0.000 0.944 207 R CB -0.149 30.180 30.300 0.049 0.000 0.857 207 R HN 0.569 nan 8.270 nan 0.000 0.435 208 R N -0.381 120.137 120.500 0.030 0.000 2.081 208 R HA -0.109 4.235 4.340 0.006 0.000 0.235 208 R C 1.896 178.196 176.300 -0.000 0.000 1.131 208 R CA 2.085 58.189 56.100 0.007 0.000 0.960 208 R CB -0.322 29.964 30.300 -0.023 0.000 0.856 208 R HN 0.307 nan 8.270 nan 0.000 0.436 209 T N 0.682 115.226 114.554 -0.017 0.000 2.708 209 T HA -0.113 4.240 4.350 0.006 0.000 0.266 209 T C 1.823 176.563 174.700 0.066 0.000 1.037 209 T CA 1.453 63.511 62.100 -0.071 0.000 1.146 209 T CB -0.304 68.388 68.868 -0.295 0.000 0.865 209 T HN 0.452 nan 8.240 nan 0.000 0.435 210 A N 1.287 124.247 122.820 0.234 0.000 1.877 210 A HA -0.004 4.319 4.320 0.006 0.000 0.216 210 A C 2.294 179.991 177.584 0.189 0.000 1.186 210 A CA 1.288 53.558 52.037 0.389 0.000 0.620 210 A CB -0.922 18.266 19.000 0.313 0.000 0.822 210 A HN 0.484 nan 8.150 nan 0.000 0.443 211 L N -1.332 119.955 121.223 0.108 0.000 2.191 211 L HA -0.188 4.155 4.340 0.006 0.000 0.212 211 L C 2.693 179.565 176.870 0.003 0.000 1.103 211 L CA 1.429 56.301 54.840 0.054 0.000 0.769 211 L CB -0.593 41.490 42.059 0.041 0.000 0.908 211 L HN 0.610 nan 8.230 nan 0.000 0.438 212 H N -0.533 118.450 119.070 -0.145 0.000 2.317 212 H HA -0.129 4.430 4.556 0.006 0.000 0.304 212 H C 2.102 177.195 175.328 -0.391 0.000 1.067 212 H CA 1.939 57.783 56.048 -0.341 0.000 1.352 212 H CB 0.088 29.505 29.762 -0.575 0.000 1.398 212 H HN 0.228 nan 8.280 nan 0.000 0.510 213 Y N 0.686 121.061 120.300 0.126 0.000 2.314 213 Y HA -0.005 4.548 4.550 0.006 0.000 0.294 213 Y C 2.962 178.919 175.900 0.095 0.000 1.119 213 Y CA 0.274 58.439 58.100 0.108 0.000 1.179 213 Y CB -0.430 38.072 38.460 0.069 0.000 1.025 213 Y HN 0.057 nan 8.280 nan 0.000 0.541 214 L N 0.129 121.476 121.223 0.207 0.000 2.137 214 L HA -0.212 4.131 4.340 0.006 0.000 0.213 214 L C -0.634 176.265 176.870 0.047 0.000 1.085 214 L CA 1.349 56.148 54.840 -0.068 0.000 0.760 214 L CB -1.687 40.142 42.059 -0.385 0.000 0.893 214 L HN 0.202 nan 8.230 nan 0.000 0.434 215 P HA -0.169 nan 4.420 nan 0.000 0.218 215 P C 1.771 179.133 177.300 0.103 0.000 1.148 215 P CA 1.366 64.520 63.100 0.089 0.000 0.822 215 P CB 0.062 31.764 31.700 0.004 0.000 0.784 216 I N -1.363 119.264 120.570 0.095 0.000 2.179 216 I HA -0.217 3.956 4.170 0.006 0.000 0.242 216 I C 2.218 178.423 176.117 0.146 0.000 1.088 216 I CA 1.353 62.719 61.300 0.111 0.000 1.357 216 I CB -0.662 37.423 38.000 0.142 0.000 1.051 216 I HN -0.088 nan 8.210 nan 0.000 0.409 217 L N 0.553 121.887 121.223 0.185 0.000 2.083 217 L HA -0.186 4.158 4.340 0.006 0.000 0.209 217 L C 2.903 179.938 176.870 0.274 0.000 1.083 217 L CA 1.212 56.188 54.840 0.227 0.000 0.752 217 L CB -0.839 41.373 42.059 0.254 0.000 0.899 217 L HN 0.249 nan 8.230 nan 0.000 0.433 218 A N 0.176 123.199 122.820 0.338 0.000 1.883 218 A HA -0.277 4.047 4.320 0.006 0.000 0.217 218 A C 2.294 179.961 177.584 0.139 0.000 1.186 218 A CA 2.002 54.198 52.037 0.266 0.000 0.624 218 A CB -0.566 18.601 19.000 0.278 0.000 0.822 218 A HN 0.487 nan 8.150 nan 0.000 0.444 219 E N -0.210 120.062 120.200 0.119 0.000 2.150 219 E HA -0.090 4.263 4.350 0.006 0.000 0.193 219 E C 1.998 178.644 176.600 0.077 0.000 0.985 219 E CA 0.905 57.352 56.400 0.079 0.000 0.814 219 E CB -0.231 29.507 29.700 0.064 0.000 0.752 219 E HN 0.534 nan 8.360 nan 0.000 0.466 220 A N 0.005 122.882 122.820 0.095 0.000 2.067 220 A HA 0.078 4.402 4.320 0.006 0.000 0.219 220 A C 1.893 179.525 177.584 0.081 0.000 1.158 220 A CA 1.474 53.562 52.037 0.086 0.000 0.661 220 A CB -0.293 18.767 19.000 0.099 0.000 0.801 220 A HN 0.529 nan 8.150 nan 0.000 0.452 221 G N -2.600 106.254 108.800 0.089 0.000 2.227 221 G HA2 -0.102 3.862 3.960 0.006 0.000 0.168 221 G HA3 -0.102 3.862 3.960 0.006 0.000 0.168 221 G C 0.112 175.054 174.900 0.069 0.000 1.006 221 G CA -0.132 45.010 45.100 0.069 0.000 0.684 221 G HN 0.687 nan 8.290 nan 0.000 0.489 222 V N 1.344 121.325 119.914 0.110 0.000 2.694 222 V HA 0.155 4.278 4.120 0.006 0.000 0.306 222 V C 1.375 177.442 176.094 -0.045 0.000 1.054 222 V CA 1.323 63.686 62.300 0.106 0.000 1.161 222 V CB 1.179 33.175 31.823 0.289 0.000 0.916 222 V HN 0.493 nan 8.190 nan 0.000 0.490 223 E N 3.076 123.239 120.200 -0.062 0.000 2.460 223 E HA 0.277 4.630 4.350 0.006 0.000 0.200 223 E C -0.294 176.171 176.600 -0.225 0.000 1.011 223 E CA -0.022 56.302 56.400 -0.127 0.000 0.912 223 E CB 0.908 30.594 29.700 -0.022 0.000 0.953 223 E HN 0.455 nan 8.360 nan 0.000 0.494 224 L N 0.303 121.389 121.223 -0.227 0.000 2.543 224 L HA 0.341 4.685 4.340 0.006 0.000 0.265 224 L C -1.913 174.923 176.870 -0.056 0.000 0.945 224 L CA -0.593 54.124 54.840 -0.205 0.000 0.869 224 L CB 1.324 43.368 42.059 -0.025 0.000 1.294 224 L HN -0.240 nan 8.230 nan 0.000 0.405 225 F N 3.211 123.167 119.950 0.011 0.000 2.332 225 F HA 0.461 4.992 4.527 0.006 0.000 0.368 225 F C 0.479 176.279 175.800 0.001 0.000 1.110 225 F CA -0.778 57.223 58.000 0.002 0.000 1.087 225 F CB 1.144 40.150 39.000 0.010 0.000 1.235 225 F HN 0.479 nan 8.300 nan 0.000 0.470 226 E N 2.589 122.898 120.200 0.183 0.000 2.200 226 E HA 0.132 4.485 4.350 0.006 0.000 0.283 226 E C -0.088 176.563 176.600 0.085 0.000 1.015 226 E CA -0.725 55.745 56.400 0.118 0.000 0.819 226 E CB 0.682 30.445 29.700 0.105 0.000 1.081 226 E HN 0.552 nan 8.360 nan 0.000 0.397 227 Q N 4.432 124.284 119.800 0.086 0.000 2.377 227 Q HA -0.170 4.173 4.340 0.006 0.000 0.368 227 Q C -1.920 174.085 176.000 0.008 0.000 1.284 227 Q CA 0.600 56.438 55.803 0.057 0.000 1.172 227 Q CB 0.093 28.868 28.738 0.061 0.000 1.331 227 Q HN 0.458 nan 8.270 nan 0.000 0.311 228 P HA -0.020 nan 4.420 nan 0.000 0.230 228 P C 0.013 177.312 177.300 -0.001 0.000 1.168 228 P CA 0.988 64.032 63.100 -0.092 0.000 0.793 228 P CB 0.431 32.055 31.700 -0.127 0.000 0.851 229 T N -4.460 110.121 114.554 0.045 0.000 2.910 229 T HA 0.564 4.918 4.350 0.006 0.000 0.287 229 T C -3.074 171.652 174.700 0.043 0.000 1.050 229 T CA -2.879 59.266 62.100 0.075 0.000 1.011 229 T CB 0.720 69.643 68.868 0.090 0.000 1.195 229 T HN -0.300 nan 8.240 nan 0.000 0.540 230 P HA 0.117 nan 4.420 nan 0.000 0.264 230 P C 0.732 178.038 177.300 0.010 0.000 1.173 230 P CA 0.267 63.377 63.100 0.016 0.000 0.761 230 P CB 0.144 31.855 31.700 0.019 0.000 0.794 231 A N 4.021 126.836 122.820 -0.008 0.000 1.917 231 A HA -0.255 4.068 4.320 0.006 0.000 0.219 231 A C 1.707 179.296 177.584 0.008 0.000 1.182 231 A CA 2.395 54.435 52.037 0.006 0.000 0.633 231 A CB -1.441 17.555 19.000 -0.007 0.000 0.819 231 A HN 0.699 nan 8.150 nan 0.000 0.448 232 D N -0.786 119.608 120.400 -0.010 0.000 2.269 232 D HA -0.086 4.558 4.640 0.006 0.000 0.208 232 D C 0.543 176.845 176.300 0.004 0.000 0.963 232 D CA 0.903 54.896 54.000 -0.012 0.000 0.864 232 D CB -0.250 40.537 40.800 -0.022 0.000 0.936 232 D HN 0.259 nan 8.370 nan 0.000 0.505 233 D N 0.149 120.557 120.400 0.014 0.000 2.631 233 D HA 0.095 4.738 4.640 0.006 0.000 0.227 233 D C 1.109 177.427 176.300 0.030 0.000 1.146 233 D CA -0.178 53.835 54.000 0.021 0.000 1.009 233 D CB 0.043 40.859 40.800 0.027 0.000 1.057 233 D HN 0.212 nan 8.370 nan 0.000 0.509 234 L N 1.090 122.329 121.223 0.027 0.000 2.131 234 L HA -0.110 4.233 4.340 0.006 0.000 0.210 234 L C 2.094 178.984 176.870 0.034 0.000 1.092 234 L CA 0.892 55.752 54.840 0.033 0.000 0.759 234 L CB -0.084 41.992 42.059 0.029 0.000 0.903 234 L HN 0.298 nan 8.230 nan 0.000 0.435 235 E N -0.484 119.733 120.200 0.029 0.000 2.110 235 E HA -0.178 4.175 4.350 0.006 0.000 0.193 235 E C 2.091 178.713 176.600 0.036 0.000 0.988 235 E CA 1.634 58.051 56.400 0.029 0.000 0.804 235 E CB -0.018 29.696 29.700 0.022 0.000 0.745 235 E HN 0.405 nan 8.360 nan 0.000 0.458 236 T N 1.237 115.815 114.554 0.041 0.000 2.821 236 T HA -0.076 4.278 4.350 0.006 0.000 0.267 236 T C 1.892 176.629 174.700 0.063 0.000 1.046 236 T CA 0.633 62.764 62.100 0.051 0.000 1.139 236 T CB -0.097 68.803 68.868 0.053 0.000 0.871 236 T HN 0.085 nan 8.240 nan 0.000 0.454 237 L N 0.723 121.984 121.223 0.063 0.000 2.042 237 L HA -0.128 4.216 4.340 0.006 0.000 0.210 237 L C 2.814 179.728 176.870 0.074 0.000 1.076 237 L CA 1.283 56.169 54.840 0.076 0.000 0.749 237 L CB -0.467 41.634 42.059 0.069 0.000 0.893 237 L HN 0.128 nan 8.230 nan 0.000 0.432 238 R N 0.799 121.333 120.500 0.056 0.000 2.073 238 R HA -0.219 4.125 4.340 0.006 0.000 0.234 238 R C 2.105 178.436 176.300 0.052 0.000 1.134 238 R CA 1.805 57.934 56.100 0.048 0.000 0.952 238 R CB -0.457 29.864 30.300 0.035 0.000 0.850 238 R HN 0.255 nan 8.270 nan 0.000 0.433 239 E N 0.527 120.758 120.200 0.052 0.000 2.110 239 E HA -0.143 4.211 4.350 0.006 0.000 0.193 239 E C 1.932 178.573 176.600 0.068 0.000 0.988 239 E CA 1.687 58.117 56.400 0.051 0.000 0.804 239 E CB -0.432 29.294 29.700 0.044 0.000 0.745 239 E HN 0.604 nan 8.360 nan 0.000 0.458 240 I N -1.413 119.210 120.570 0.090 0.000 2.286 240 I HA -0.201 3.972 4.170 0.006 0.000 0.248 240 I C 1.889 178.095 176.117 0.149 0.000 1.115 240 I CA 1.800 63.174 61.300 0.124 0.000 1.392 240 I CB -0.533 37.559 38.000 0.154 0.000 1.065 240 I HN -0.053 nan 8.210 nan 0.000 0.418 241 T N 1.045 115.674 114.554 0.124 0.000 2.777 241 T HA -0.051 4.303 4.350 0.006 0.000 0.266 241 T C 2.011 176.751 174.700 0.066 0.000 1.040 241 T CA 1.227 63.384 62.100 0.094 0.000 1.141 241 T CB -0.235 68.667 68.868 0.056 0.000 0.868 241 T HN 0.388 nan 8.240 nan 0.000 0.444 242 R N 0.897 121.430 120.500 0.055 0.000 2.091 242 R HA -0.011 4.333 4.340 0.006 0.000 0.238 242 R C 2.573 178.899 176.300 0.043 0.000 1.136 242 R CA 1.213 57.337 56.100 0.040 0.000 0.959 242 R CB -0.200 30.120 30.300 0.034 0.000 0.856 242 R HN 0.393 nan 8.270 nan 0.000 0.437 243 R N -0.462 120.071 120.500 0.056 0.000 2.161 243 R HA -0.021 4.322 4.340 0.006 0.000 0.213 243 R C 2.047 178.386 176.300 0.065 0.000 1.055 243 R CA 1.614 57.744 56.100 0.051 0.000 0.996 243 R CB 0.028 30.355 30.300 0.044 0.000 0.901 243 R HN 0.324 nan 8.270 nan 0.000 0.456 244 T N -3.063 111.552 114.554 0.102 0.000 2.990 244 T HA 0.102 4.456 4.350 0.006 0.000 0.250 244 T C 0.641 175.391 174.700 0.082 0.000 1.041 244 T CA -0.303 61.873 62.100 0.127 0.000 1.010 244 T CB 0.189 69.216 68.868 0.264 0.000 1.003 244 T HN 0.059 nan 8.240 nan 0.000 0.499 245 N N 0.784 119.517 118.700 0.056 0.000 2.747 245 N HA -0.129 4.615 4.740 0.006 0.000 0.249 245 N C -0.333 175.160 175.510 -0.028 0.000 1.107 245 N CA 0.939 53.998 53.050 0.015 0.000 0.707 245 N CB -1.682 36.811 38.487 0.010 0.000 1.054 245 N HN 0.688 nan 8.380 nan 0.000 0.555 246 V N -0.964 118.918 119.914 -0.054 0.000 2.604 246 V HA 0.594 4.717 4.120 0.006 0.000 0.305 246 V C 0.580 176.541 176.094 -0.221 0.000 1.043 246 V CA -0.523 61.644 62.300 -0.221 0.000 0.888 246 V CB 2.076 33.596 31.823 -0.505 0.000 0.995 246 V HN 0.187 nan 8.190 nan 0.000 0.429 247 S N 3.940 119.507 115.700 -0.222 0.000 2.563 247 S HA 0.426 4.899 4.470 0.006 0.000 0.284 247 S C -0.005 174.512 174.600 -0.138 0.000 1.331 247 S CA -0.133 57.970 58.200 -0.161 0.000 1.047 247 S CB 1.124 64.215 63.200 -0.182 0.000 0.859 247 S HN 0.816 nan 8.310 nan 0.000 0.514 251 D N -0.014 120.485 120.400 0.164 0.000 3.054 251 D HA 0.088 4.732 4.640 0.006 0.000 0.209 251 D C 1.436 177.902 176.300 0.277 0.000 1.527 251 D CA 0.851 54.982 54.000 0.218 0.000 1.427 251 D CB 0.242 41.188 40.800 0.244 0.000 1.059 251 D HN 0.440 nan 8.370 nan 0.000 0.243 252 E N 0.765 121.080 120.200 0.192 0.000 2.209 252 E HA -0.086 4.267 4.350 0.006 0.000 0.196 252 E C 1.903 178.710 176.600 0.345 0.000 0.993 252 E CA 0.722 57.221 56.400 0.166 0.000 0.819 252 E CB -0.463 29.087 29.700 -0.251 0.000 0.745 252 E HN 0.090 nan 8.360 nan 0.000 0.477 253 S N 0.214 116.042 115.700 0.214 0.000 2.474 253 S HA 0.013 4.487 4.470 0.006 0.000 0.235 253 S C 0.736 175.479 174.600 0.238 0.000 0.997 253 S CA 0.353 58.657 58.200 0.173 0.000 0.949 253 S CB 0.257 63.523 63.200 0.111 0.000 0.766 253 S HN 0.025 nan 8.310 nan 0.000 0.517 254 V N 1.351 121.477 119.914 0.353 0.000 2.398 254 V HA 0.264 4.387 4.120 0.006 0.000 0.282 254 V C -0.597 175.820 176.094 0.539 0.000 1.014 254 V CA -0.639 61.878 62.300 0.363 0.000 0.838 254 V CB 0.994 32.967 31.823 0.249 0.000 1.018 254 V HN 0.459 nan 8.190 nan 0.000 0.432 255 W N 1.899 123.294 121.300 0.158 0.000 3.033 255 W HA 0.201 4.863 4.660 0.004 0.000 0.250 255 W C 1.539 178.190 176.519 0.219 0.000 1.105 255 W CA 0.775 58.218 57.345 0.163 0.000 1.655 255 W CB -0.332 29.172 29.460 0.074 0.000 1.001 255 W HN 0.552 nan 8.180 nan 0.000 0.653 256 T N -2.611 112.144 114.554 0.334 0.000 2.923 256 T HA 0.370 4.724 4.350 0.006 0.000 0.281 256 T C -1.951 172.790 174.700 0.070 0.000 0.995 256 T CA -1.798 60.399 62.100 0.162 0.000 0.985 256 T CB 2.226 71.151 68.868 0.096 0.000 1.114 256 T HN -0.360 nan 8.240 nan 0.000 0.548 257 P HA 0.124 nan 4.420 nan 0.000 0.217 257 P C 1.592 178.899 177.300 0.012 0.000 1.151 257 P CA 1.099 64.197 63.100 -0.004 0.000 0.828 257 P CB -0.268 31.429 31.700 -0.005 0.000 0.788 258 A N 0.101 122.933 122.820 0.019 0.000 1.972 258 A HA -0.217 4.106 4.320 0.006 0.000 0.219 258 A C 2.051 179.647 177.584 0.021 0.000 1.169 258 A CA 1.561 53.607 52.037 0.014 0.000 0.635 258 A CB -1.055 17.949 19.000 0.008 0.000 0.810 258 A HN 0.196 nan 8.150 nan 0.000 0.446 259 E N -0.347 119.875 120.200 0.037 0.000 2.158 259 E HA 0.004 4.357 4.350 0.006 0.000 0.191 259 E C 2.245 178.880 176.600 0.058 0.000 0.982 259 E CA 0.690 57.121 56.400 0.051 0.000 0.823 259 E CB -0.223 29.529 29.700 0.086 0.000 0.766 259 E HN 0.613 nan 8.360 nan 0.000 0.468 260 A N 1.473 124.323 122.820 0.051 0.000 1.969 260 A HA -0.119 4.205 4.320 0.006 0.000 0.218 260 A C 2.124 179.724 177.584 0.027 0.000 1.169 260 A CA 0.716 52.776 52.037 0.038 0.000 0.635 260 A CB -0.429 18.574 19.000 0.005 0.000 0.810 260 A HN 0.208 nan 8.150 nan 0.000 0.445 261 L N -0.794 120.441 121.223 0.020 0.000 2.027 261 L HA -0.133 4.211 4.340 0.006 0.000 0.206 261 L C 2.899 179.780 176.870 0.017 0.000 1.074 261 L CA 1.468 56.317 54.840 0.015 0.000 0.745 261 L CB -0.578 41.488 42.059 0.011 0.000 0.898 261 L HN 0.435 nan 8.230 nan 0.000 0.433 262 A N -0.727 122.105 122.820 0.019 0.000 1.933 262 A HA -0.169 4.155 4.320 0.006 0.000 0.218 262 A C 2.195 179.793 177.584 0.023 0.000 1.175 262 A CA 1.761 53.809 52.037 0.018 0.000 0.628 262 A CB -0.761 18.249 19.000 0.016 0.000 0.814 262 A HN 0.320 nan 8.150 nan 0.000 0.444 263 V N -0.638 119.295 119.914 0.031 0.000 2.427 263 V HA -0.203 3.921 4.120 0.006 0.000 0.248 263 V C 2.564 178.673 176.094 0.026 0.000 1.051 263 V CA 1.838 64.159 62.300 0.035 0.000 1.048 263 V CB -0.537 31.315 31.823 0.048 0.000 0.666 263 V HN 0.378 nan 8.190 nan 0.000 0.456 264 V N -0.198 119.730 119.914 0.022 0.000 2.295 264 V HA -0.281 3.843 4.120 0.006 0.000 0.246 264 V C 2.438 178.540 176.094 0.014 0.000 1.049 264 V CA 2.117 64.427 62.300 0.016 0.000 1.024 264 V CB -0.618 31.213 31.823 0.014 0.000 0.648 264 V HN 0.536 nan 8.190 nan 0.000 0.447 265 K N 0.206 120.614 120.400 0.014 0.000 2.097 265 K HA -0.082 4.242 4.320 0.006 0.000 0.206 265 K C 1.971 178.578 176.600 0.013 0.000 1.049 265 K CA 1.468 57.762 56.287 0.011 0.000 0.933 265 K CB -0.321 32.185 32.500 0.010 0.000 0.717 265 K HN 0.475 nan 8.250 nan 0.000 0.442 266 A N 0.868 123.697 122.820 0.016 0.000 2.238 266 A HA -0.055 4.268 4.320 0.006 0.000 0.208 266 A C 0.149 177.744 177.584 0.018 0.000 1.177 266 A CA 0.121 52.168 52.037 0.017 0.000 0.804 266 A CB -0.193 18.819 19.000 0.020 0.000 0.823 266 A HN 0.352 nan 8.150 nan 0.000 0.482 267 Q N -2.154 117.656 119.800 0.017 0.000 2.434 267 Q HA -0.299 4.044 4.340 0.006 0.000 0.299 267 Q C 1.047 177.059 176.000 0.020 0.000 1.286 267 Q CA 0.310 56.122 55.803 0.015 0.000 0.872 267 Q CB -2.014 26.732 28.738 0.012 0.000 1.193 267 Q HN 0.830 nan 8.270 nan 0.000 0.466 268 A N -0.585 122.250 122.820 0.025 0.000 2.167 268 A HA 0.463 4.786 4.320 0.006 0.000 0.214 268 A C 0.824 178.429 177.584 0.036 0.000 1.151 268 A CA 1.107 53.164 52.037 0.034 0.000 0.735 268 A CB 0.478 19.501 19.000 0.039 0.000 0.802 268 A HN 0.746 nan 8.150 nan 0.000 0.467 269 A N -1.222 121.614 122.820 0.026 0.000 2.594 269 A HA 0.531 4.854 4.320 0.006 0.000 0.296 269 A C -0.617 176.963 177.584 -0.007 0.000 1.061 269 A CA -0.321 51.726 52.037 0.018 0.000 0.689 269 A CB 0.420 19.440 19.000 0.034 0.000 1.280 269 A HN -0.048 nan 8.150 nan 0.000 0.406 270 D N -0.148 120.230 120.400 -0.036 0.000 2.249 270 D HA 0.196 4.839 4.640 0.006 0.000 0.205 270 D C 0.444 176.690 176.300 -0.089 0.000 0.962 270 D CA 1.570 55.528 54.000 -0.069 0.000 0.860 270 D CB 0.389 41.122 40.800 -0.112 0.000 0.955 270 D HN 0.324 nan 8.370 nan 0.000 0.505 271 V N 0.883 120.748 119.914 -0.082 0.000 2.925 271 V HA 0.410 4.534 4.120 0.006 0.000 0.311 271 V C -0.323 175.786 176.094 0.025 0.000 1.104 271 V CA -0.870 61.391 62.300 -0.065 0.000 0.954 271 V CB 3.017 34.729 31.823 -0.186 0.000 1.022 271 V HN -0.158 nan 8.190 nan 0.000 0.427 272 I N 2.502 123.118 120.570 0.076 0.000 2.406 272 I HA 0.603 4.776 4.170 0.006 0.000 0.290 272 I C 0.477 176.697 176.117 0.171 0.000 0.999 272 I CA -0.745 60.624 61.300 0.116 0.000 1.124 272 I CB 1.964 40.025 38.000 0.102 0.000 1.289 272 I HN 0.760 nan 8.210 nan 0.000 0.441 273 A N 7.637 130.565 122.820 0.180 0.000 2.666 273 A HA 0.268 4.591 4.320 0.006 0.000 0.301 273 A C -0.330 177.349 177.584 0.157 0.000 1.470 273 A CA -0.237 51.917 52.037 0.196 0.000 1.159 273 A CB -0.192 18.912 19.000 0.174 0.000 1.116 273 A HN 0.529 nan 8.150 nan 0.000 0.548 274 L N 3.019 124.341 121.223 0.166 0.000 2.313 274 L HA 0.399 4.743 4.340 0.006 0.000 0.282 274 L C -0.255 176.584 176.870 -0.051 0.000 1.092 274 L CA 0.552 55.522 54.840 0.216 0.000 0.831 274 L CB 0.088 42.219 42.059 0.119 0.000 1.159 274 L HN 0.583 nan 8.230 nan 0.000 0.442 275 K N 3.460 123.681 120.400 -0.298 0.000 2.545 275 K HA 0.235 4.558 4.320 0.006 0.000 0.252 275 K C 1.004 177.292 176.600 -0.521 0.000 0.948 275 K CA -0.008 56.003 56.287 -0.460 0.000 0.827 275 K CB 1.593 33.760 32.500 -0.555 0.000 1.128 275 K HN 0.699 nan 8.250 nan 0.000 0.429 276 T N -1.929 112.390 114.554 -0.391 0.000 2.929 276 T HA -0.207 4.147 4.350 0.006 0.000 0.271 276 T C 1.786 176.301 174.700 -0.309 0.000 1.085 276 T CA 2.007 63.904 62.100 -0.338 0.000 1.125 276 T CB -0.439 68.247 68.868 -0.303 0.000 0.874 276 T HN 0.625 nan 8.240 nan 0.000 0.494 277 T N 0.696 115.034 114.554 -0.361 0.000 2.668 277 T HA 0.026 4.379 4.350 0.006 0.000 0.258 277 T C 1.905 176.170 174.700 -0.726 0.000 1.051 277 T CA 1.093 62.982 62.100 -0.352 0.000 1.155 277 T CB -0.468 68.275 68.868 -0.208 0.000 0.864 277 T HN 0.442 nan 8.240 nan 0.000 0.413 278 K N 0.474 120.210 120.400 -1.107 0.000 2.113 278 K HA -0.232 4.091 4.320 0.006 0.000 0.208 278 K C 2.191 178.223 176.600 -0.946 0.000 1.047 278 K CA 1.596 56.875 56.287 -1.680 0.000 0.928 278 K CB -0.289 31.364 32.500 -1.411 0.000 0.716 278 K HN 0.501 nan 8.250 nan 0.000 0.446 279 H N -1.053 117.748 119.070 -0.449 0.000 2.547 279 H HA 0.086 4.646 4.556 0.007 0.000 0.272 279 H C 1.108 176.340 175.328 -0.160 0.000 0.989 279 H CA 1.056 56.970 56.048 -0.225 0.000 1.214 279 H CB 0.421 30.063 29.762 -0.200 0.000 1.389 279 H HN 0.546 nan 8.280 nan 0.000 0.577 280 G N -0.123 108.594 108.800 -0.139 0.000 2.165 280 G HA2 0.018 3.982 3.960 0.006 0.000 0.226 280 G HA3 0.018 3.982 3.960 0.006 0.000 0.226 280 G C 0.522 175.412 174.900 -0.016 0.000 1.035 280 G CA 0.344 45.407 45.100 -0.063 0.000 0.744 280 G HN 0.908 nan 8.290 nan 0.000 0.501 281 G N -2.129 106.646 108.800 -0.042 0.000 2.357 281 G HA2 0.230 4.194 3.960 0.006 0.000 0.643 281 G HA3 0.230 4.194 3.960 0.006 0.000 0.643 281 G C 0.574 175.464 174.900 -0.016 0.000 1.358 281 G CA -0.136 44.967 45.100 0.004 0.000 0.986 281 G HN 0.965 nan 8.290 nan 0.000 0.620 282 L N 0.254 121.481 121.223 0.007 0.000 2.109 282 L HA 0.083 4.427 4.340 0.006 0.000 0.207 282 L C 2.974 179.907 176.870 0.104 0.000 1.086 282 L CA 0.953 55.786 54.840 -0.011 0.000 0.760 282 L CB -0.406 41.500 42.059 -0.255 0.000 0.910 282 L HN 0.542 nan 8.230 nan 0.000 0.437 283 L N -0.769 120.545 121.223 0.150 0.000 2.027 283 L HA -0.151 4.192 4.340 0.006 0.000 0.206 283 L C 2.720 179.652 176.870 0.102 0.000 1.074 283 L CA 0.996 55.931 54.840 0.158 0.000 0.745 283 L CB -0.559 41.604 42.059 0.174 0.000 0.898 283 L HN 0.245 nan 8.230 nan 0.000 0.433 284 E N 0.085 120.325 120.200 0.067 0.000 2.110 284 E HA -0.146 4.207 4.350 0.006 0.000 0.193 284 E C 2.374 178.960 176.600 -0.024 0.000 0.988 284 E CA 1.186 57.603 56.400 0.029 0.000 0.804 284 E CB -0.186 29.536 29.700 0.037 0.000 0.745 284 E HN 0.329 nan 8.360 nan 0.000 0.458 285 S N 0.832 116.504 115.700 -0.048 0.000 2.399 285 S HA -0.098 4.375 4.470 0.006 0.000 0.231 285 S C 1.755 176.403 174.600 0.081 0.000 1.022 285 S CA 0.820 58.900 58.200 -0.200 0.000 0.983 285 S CB 0.046 62.865 63.200 -0.634 0.000 0.803 285 S HN 0.126 nan 8.310 nan 0.000 0.480 286 K N 1.561 122.123 120.400 0.270 0.000 2.097 286 K HA 0.026 4.349 4.320 0.006 0.000 0.205 286 K C 1.916 178.586 176.600 0.117 0.000 1.050 286 K CA 0.993 57.445 56.287 0.275 0.000 0.938 286 K CB -0.222 32.383 32.500 0.176 0.000 0.718 286 K HN 0.394 nan 8.250 nan 0.000 0.442 287 K N 0.513 120.944 120.400 0.052 0.000 2.057 287 K HA -0.047 4.277 4.320 0.006 0.000 0.206 287 K C 2.104 178.689 176.600 -0.025 0.000 1.050 287 K CA 0.831 57.125 56.287 0.011 0.000 0.935 287 K CB -0.141 32.360 32.500 0.001 0.000 0.715 287 K HN -0.017 nan 8.250 nan 0.000 0.439 288 I N 1.737 122.246 120.570 -0.102 0.000 2.099 288 I HA -0.264 3.910 4.170 0.006 0.000 0.239 288 I C 2.570 178.656 176.117 -0.052 0.000 1.066 288 I CA 1.558 62.754 61.300 -0.173 0.000 1.324 288 I CB -1.561 36.135 38.000 -0.507 0.000 1.037 288 I HN 0.123 nan 8.210 nan 0.000 0.401 289 A N 0.659 123.496 122.820 0.027 0.000 1.978 289 A HA -0.113 4.210 4.320 0.006 0.000 0.220 289 A C 2.535 180.147 177.584 0.046 0.000 1.170 289 A CA 2.043 54.131 52.037 0.085 0.000 0.636 289 A CB -0.759 18.357 19.000 0.193 0.000 0.810 289 A HN 0.454 nan 8.150 nan 0.000 0.448 290 A N -0.220 122.621 122.820 0.035 0.000 1.930 290 A HA -0.014 4.310 4.320 0.006 0.000 0.217 290 A C 2.104 179.696 177.584 0.013 0.000 1.175 290 A CA 1.443 53.492 52.037 0.020 0.000 0.627 290 A CB -0.495 18.516 19.000 0.019 0.000 0.815 290 A HN 0.495 nan 8.150 nan 0.000 0.443 291 I N -0.460 120.114 120.570 0.007 0.000 2.233 291 I HA -0.193 3.980 4.170 0.006 0.000 0.243 291 I C 2.980 179.102 176.117 0.009 0.000 1.093 291 I CA 0.877 62.179 61.300 0.005 0.000 1.380 291 I CB -0.357 37.642 38.000 -0.001 0.000 1.067 291 I HN 0.335 nan 8.210 nan 0.000 0.413 292 A N 0.609 123.436 122.820 0.012 0.000 1.865 292 A HA -0.301 4.022 4.320 0.006 0.000 0.217 292 A C 2.314 179.909 177.584 0.019 0.000 1.191 292 A CA 2.182 54.230 52.037 0.019 0.000 0.623 292 A CB -0.804 18.214 19.000 0.030 0.000 0.826 292 A HN 0.516 nan 8.150 nan 0.000 0.444 293 E N -0.105 120.108 120.200 0.022 0.000 2.058 293 E HA -0.182 4.172 4.350 0.006 0.000 0.194 293 E C 2.091 178.698 176.600 0.011 0.000 0.997 293 E CA 1.308 57.718 56.400 0.018 0.000 0.801 293 E CB -0.316 29.394 29.700 0.017 0.000 0.746 293 E HN 0.527 nan 8.360 nan 0.000 0.450 294 A N 0.495 123.321 122.820 0.010 0.000 1.940 294 A HA -0.086 4.238 4.320 0.006 0.000 0.219 294 A C 2.258 179.846 177.584 0.007 0.000 1.176 294 A CA 1.616 53.657 52.037 0.007 0.000 0.631 294 A CB -0.753 18.252 19.000 0.007 0.000 0.814 294 A HN 0.423 nan 8.150 nan 0.000 0.446 295 G N -2.362 106.443 108.800 0.008 0.000 3.141 295 G HA2 0.388 4.351 3.960 0.006 0.000 0.218 295 G HA3 0.388 4.351 3.960 0.006 0.000 0.218 295 G C 1.101 176.004 174.900 0.005 0.000 1.170 295 G CA 0.475 45.579 45.100 0.007 0.000 0.769 295 G HN 1.593 nan 8.290 nan 0.000 0.546 296 G N -0.261 108.542 108.800 0.005 0.000 2.162 296 G HA2 -0.267 3.696 3.960 0.006 0.000 0.260 296 G HA3 -0.267 3.696 3.960 0.006 0.000 0.260 296 G C 0.386 175.285 174.900 -0.001 0.000 0.976 296 G CA 0.319 45.420 45.100 0.002 0.000 0.655 296 G HN 0.494 nan 8.290 nan 0.000 0.533 297 L N 0.663 121.888 121.223 0.004 0.000 2.326 297 L HA 0.672 5.016 4.340 0.006 0.000 0.278 297 L C 1.070 177.946 176.870 0.011 0.000 1.092 297 L CA -0.291 54.549 54.840 0.000 0.000 0.810 297 L CB 1.252 43.316 42.059 0.009 0.000 1.153 297 L HN 0.284 nan 8.230 nan 0.000 0.439 298 A N 2.431 125.249 122.820 -0.004 0.000 2.304 298 A HA 0.476 4.799 4.320 0.006 0.000 0.271 298 A C -0.478 177.152 177.584 0.076 0.000 1.091 298 A CA -0.292 51.762 52.037 0.028 0.000 0.812 298 A CB 0.601 19.590 19.000 -0.018 0.000 1.056 298 A HN 0.796 nan 8.150 nan 0.000 0.489 299 C N 0.703 120.085 119.300 0.137 0.000 2.408 299 C HA 0.624 5.087 4.460 0.006 0.000 0.321 299 C C -0.141 175.011 174.990 0.270 0.000 1.245 299 C CA -0.262 58.864 59.018 0.179 0.000 1.523 299 C CB 0.522 28.356 27.740 0.156 0.000 2.178 299 C HN 0.996 nan 8.230 nan 0.000 0.488 300 H N 0.548 119.725 119.070 0.179 0.000 2.459 300 H HA 0.513 5.072 4.556 0.006 0.000 0.332 300 H C 0.563 175.953 175.328 0.103 0.000 1.094 300 H CA 0.131 56.289 56.048 0.183 0.000 1.224 300 H CB 1.160 31.071 29.762 0.248 0.000 1.449 300 H HN 0.816 nan 8.280 nan 0.000 0.484 301 G N 4.279 112.894 108.800 -0.309 0.000 2.778 301 G HA2 0.411 4.374 3.960 0.006 0.000 0.287 301 G HA3 0.411 4.374 3.960 0.006 0.000 0.287 301 G C 0.175 174.855 174.900 -0.367 0.000 0.747 301 G CA 0.130 45.087 45.100 -0.238 0.000 1.961 301 G HN 0.840 nan 8.290 nan 0.000 0.539 302 A N 2.152 124.854 122.820 -0.196 0.000 2.327 302 A HA 0.758 5.081 4.320 0.006 0.000 0.255 302 A C 0.664 178.117 177.584 -0.220 0.000 1.099 302 A CA -0.002 51.963 52.037 -0.120 0.000 0.801 302 A CB 0.929 19.939 19.000 0.018 0.000 1.062 302 A HN 0.642 nan 8.150 nan 0.000 0.496 303 T N -1.015 113.397 114.554 -0.238 0.000 2.900 303 T HA 0.482 4.835 4.350 0.006 0.000 0.295 303 T C 0.144 174.653 174.700 -0.318 0.000 1.044 303 T CA -0.199 61.709 62.100 -0.320 0.000 0.995 303 T CB 1.212 69.799 68.868 -0.468 0.000 1.072 303 T HN 0.461 nan 8.240 nan 0.000 0.473 304 S N 3.233 118.730 115.700 -0.339 0.000 2.574 304 S HA 0.258 4.731 4.470 0.006 0.000 0.242 304 S C -0.115 174.310 174.600 -0.292 0.000 0.982 304 S CA -0.357 57.602 58.200 -0.402 0.000 0.977 304 S CB -0.407 62.557 63.200 -0.394 0.000 0.814 304 S HN 0.723 nan 8.310 nan 0.000 0.464 305 L N 1.478 122.548 121.223 -0.255 0.000 3.512 305 L HA -0.143 4.200 4.340 0.006 0.000 0.446 305 L C 0.051 176.829 176.870 -0.154 0.000 1.290 305 L CA 0.295 55.022 54.840 -0.189 0.000 0.871 305 L CB -2.212 39.816 42.059 -0.052 0.000 1.767 305 L HN 0.240 nan 8.230 nan 0.000 0.855 306 E N -0.357 119.737 120.200 -0.177 0.000 2.425 306 E HA 0.498 4.851 4.350 0.006 0.000 0.258 306 E C 1.140 177.700 176.600 -0.066 0.000 1.151 306 E CA 0.775 57.109 56.400 -0.110 0.000 0.958 306 E CB 0.304 29.932 29.700 -0.120 0.000 0.968 306 E HN 0.408 nan 8.360 nan 0.000 0.451 307 G N 0.708 109.518 108.800 0.016 0.000 2.509 307 G HA2 0.157 4.120 3.960 0.006 0.000 0.269 307 G HA3 0.157 4.120 3.960 0.006 0.000 0.269 307 G C -1.574 173.326 174.900 -0.001 0.000 1.416 307 G CA -0.660 44.481 45.100 0.068 0.000 1.052 307 G HN 0.424 nan 8.290 nan 0.000 0.542 308 P HA -0.087 nan 4.420 nan 0.000 0.216 308 P C 1.876 179.219 177.300 0.071 0.000 1.153 308 P CA 0.941 64.065 63.100 0.040 0.000 0.848 308 P CB 0.193 31.818 31.700 -0.125 0.000 0.787 309 I N 0.091 120.656 120.570 -0.008 0.000 2.226 309 I HA -0.120 4.054 4.170 0.006 0.000 0.245 309 I C 2.660 178.827 176.117 0.083 0.000 1.100 309 I CA 1.950 63.295 61.300 0.074 0.000 1.374 309 I CB -1.977 36.117 38.000 0.155 0.000 1.057 309 I HN 0.031 nan 8.210 nan 0.000 0.413 310 G N 0.099 108.935 108.800 0.060 0.000 2.394 310 G HA2 -0.186 3.778 3.960 0.006 0.000 0.214 310 G HA3 -0.186 3.778 3.960 0.006 0.000 0.214 310 G C 1.629 176.507 174.900 -0.037 0.000 1.176 310 G CA 1.090 46.196 45.100 0.010 0.000 0.786 310 G HN 0.308 nan 8.290 nan 0.000 0.533 311 T N 1.705 116.218 114.554 -0.069 0.000 2.833 311 T HA 0.017 4.370 4.350 0.006 0.000 0.269 311 T C 2.730 177.386 174.700 -0.074 0.000 1.054 311 T CA 1.367 63.380 62.100 -0.146 0.000 1.135 311 T CB -0.235 68.461 68.868 -0.287 0.000 0.869 311 T HN 0.363 nan 8.240 nan 0.000 0.466 312 A N 1.326 124.177 122.820 0.052 0.000 1.898 312 A HA 0.269 4.592 4.320 0.006 0.000 0.216 312 A C 2.630 180.256 177.584 0.069 0.000 1.181 312 A CA 1.547 53.667 52.037 0.139 0.000 0.620 312 A CB -0.961 18.152 19.000 0.188 0.000 0.819 312 A HN 0.496 nan 8.150 nan 0.000 0.442 313 A N -0.733 122.113 122.820 0.044 0.000 1.969 313 A HA -0.014 4.309 4.320 0.006 0.000 0.218 313 A C 2.391 179.990 177.584 0.025 0.000 1.169 313 A CA 1.911 53.967 52.037 0.031 0.000 0.635 313 A CB -0.639 18.373 19.000 0.020 0.000 0.810 313 A HN 0.423 nan 8.150 nan 0.000 0.445 314 S N -0.279 115.414 115.700 -0.012 0.000 2.387 314 S HA 0.002 4.476 4.470 0.006 0.000 0.226 314 S C 1.776 176.407 174.600 0.052 0.000 1.026 314 S CA 1.064 59.256 58.200 -0.013 0.000 0.972 314 S CB -0.354 62.785 63.200 -0.102 0.000 0.814 314 S HN 0.520 nan 8.310 nan 0.000 0.477 315 L N 1.379 122.612 121.223 0.016 0.000 2.083 315 L HA -0.128 4.216 4.340 0.006 0.000 0.209 315 L C 2.727 179.619 176.870 0.036 0.000 1.083 315 L CA 0.911 55.763 54.840 0.019 0.000 0.752 315 L CB -0.429 41.639 42.059 0.016 0.000 0.899 315 L HN 0.265 nan 8.230 nan 0.000 0.433 316 Q N -0.785 119.043 119.800 0.047 0.000 2.119 316 Q HA -0.202 4.141 4.340 0.006 0.000 0.201 316 Q C 2.120 178.133 176.000 0.022 0.000 0.972 316 Q CA 1.605 57.422 55.803 0.024 0.000 0.847 316 Q CB -0.402 28.349 28.738 0.021 0.000 0.903 316 Q HN 0.445 nan 8.270 nan 0.000 0.433 317 F N 1.303 121.213 119.950 -0.067 0.000 2.102 317 F HA -0.150 4.381 4.527 0.007 0.000 0.298 317 F C 2.196 177.963 175.800 -0.054 0.000 1.105 317 F CA 1.488 59.447 58.000 -0.069 0.000 1.239 317 F CB -0.274 38.683 39.000 -0.072 0.000 0.991 317 F HN 0.044 nan 8.300 nan 0.000 0.474 318 A N 0.371 123.270 122.820 0.131 0.000 1.972 318 A HA -0.080 4.243 4.320 0.006 0.000 0.219 318 A C 2.325 179.863 177.584 -0.076 0.000 1.169 318 A CA 1.640 53.695 52.037 0.030 0.000 0.635 318 A CB -1.528 17.503 19.000 0.053 0.000 0.810 318 A HN 0.519 nan 8.150 nan 0.000 0.446 319 A N -0.057 122.721 122.820 -0.069 0.000 2.015 319 A HA 0.015 4.338 4.320 0.006 0.000 0.219 319 A C 2.187 179.700 177.584 -0.118 0.000 1.163 319 A CA 1.938 53.929 52.037 -0.075 0.000 0.646 319 A CB -0.522 18.448 19.000 -0.051 0.000 0.806 319 A HN 1.039 nan 8.150 nan 0.000 0.448 320 S N -2.069 113.515 115.700 -0.193 0.000 2.554 320 S HA 0.211 4.684 4.470 0.006 0.000 0.226 320 S C 0.132 174.546 174.600 -0.310 0.000 0.980 320 S CA 0.118 58.184 58.200 -0.222 0.000 0.939 320 S CB -0.014 63.056 63.200 -0.217 0.000 0.832 320 S HN 0.165 nan 8.310 nan 0.000 0.486 321 T N 2.571 116.906 114.554 -0.366 0.000 2.912 321 T HA 0.383 4.736 4.350 0.006 0.000 0.326 321 T C 0.533 175.132 174.700 -0.169 0.000 1.080 321 T CA -0.712 61.167 62.100 -0.369 0.000 1.000 321 T CB 1.559 69.997 68.868 -0.716 0.000 1.008 321 T HN -0.070 nan 8.240 nan 0.000 0.473 322 K N 2.756 123.089 120.400 -0.112 0.000 2.147 322 K HA -0.012 4.312 4.320 0.006 0.000 0.205 322 K C 2.266 178.854 176.600 -0.019 0.000 1.049 322 K CA 1.179 57.434 56.287 -0.053 0.000 0.936 322 K CB -0.538 31.938 32.500 -0.041 0.000 0.722 322 K HN 0.679 nan 8.250 nan 0.000 0.446 323 A N 1.244 124.054 122.820 -0.018 0.000 2.032 323 A HA -0.129 4.194 4.320 0.006 0.000 0.221 323 A C 1.043 178.669 177.584 0.069 0.000 1.165 323 A CA 0.718 52.772 52.037 0.029 0.000 0.645 323 A CB -0.402 18.622 19.000 0.041 0.000 0.807 323 A HN 0.194 nan 8.150 nan 0.000 0.453 324 I N 1.944 122.555 120.570 0.068 0.000 2.453 324 I HA 0.004 4.177 4.170 0.006 0.000 0.300 324 I C 0.901 177.072 176.117 0.089 0.000 1.159 324 I CA 0.851 62.215 61.300 0.105 0.000 1.379 324 I CB -0.416 37.641 38.000 0.094 0.000 1.460 324 I HN 0.385 nan 8.210 nan 0.000 0.601 325 S N 4.441 120.218 115.700 0.129 0.000 2.629 325 S HA 0.078 4.552 4.470 0.006 0.000 0.236 325 S C 0.424 175.160 174.600 0.226 0.000 1.010 325 S CA -0.260 58.019 58.200 0.132 0.000 0.981 325 S CB 0.000 63.261 63.200 0.102 0.000 0.919 325 S HN 0.554 nan 8.310 nan 0.000 0.514 326 Y N 2.574 122.935 120.300 0.102 0.000 2.672 326 Y HA 0.489 5.042 4.550 0.005 0.000 0.272 326 Y C 0.822 176.872 175.900 0.250 0.000 1.055 326 Y CA -0.190 57.996 58.100 0.142 0.000 1.151 326 Y CB 0.098 38.641 38.460 0.139 0.000 1.190 326 Y HN 0.486 nan 8.280 nan 0.000 0.574 327 G N 1.107 109.947 108.800 0.067 0.000 2.697 327 G HA2 -0.090 3.873 3.960 0.006 0.000 0.240 327 G HA3 -0.090 3.873 3.960 0.006 0.000 0.240 327 G C -0.147 174.643 174.900 -0.183 0.000 1.346 327 G CA -0.045 45.038 45.100 -0.028 0.000 0.887 327 G HN 0.957 nan 8.290 nan 0.000 0.569 328 T N -3.573 110.813 114.554 -0.281 0.000 2.804 328 T HA 0.763 5.116 4.350 0.006 0.000 0.290 328 T C 0.150 174.656 174.700 -0.322 0.000 1.099 328 T CA 0.418 62.182 62.100 -0.561 0.000 1.011 328 T CB 2.056 70.769 68.868 -0.259 0.000 1.291 328 T HN 1.656 nan 8.240 nan 0.000 0.523 329 E N 0.296 120.332 120.200 -0.274 0.000 3.191 329 E HA 0.302 4.655 4.350 0.006 0.000 0.192 329 E C -0.352 176.037 176.600 -0.352 0.000 0.972 329 E CA -0.500 55.869 56.400 -0.053 0.000 1.266 329 E CB -0.205 29.561 29.700 0.110 0.000 1.076 329 E HN 0.483 nan 8.360 nan 0.000 0.462 330 L N 2.418 123.498 121.223 -0.240 0.000 2.416 330 L HA 0.204 4.548 4.340 0.006 0.000 0.243 330 L C 0.075 176.872 176.870 -0.122 0.000 1.373 330 L CA -0.329 54.347 54.840 -0.273 0.000 1.227 330 L CB -0.750 41.198 42.059 -0.184 0.000 1.428 330 L HN 0.394 nan 8.230 nan 0.000 0.425 331 F N -2.060 117.846 119.950 -0.073 0.000 2.678 331 F HA 0.418 4.949 4.527 0.006 0.000 0.305 331 F C 1.769 177.457 175.800 -0.186 0.000 1.090 331 F CA -0.595 57.315 58.000 -0.149 0.000 1.272 331 F CB -1.077 37.890 39.000 -0.055 0.000 1.060 331 F HN 0.162 nan 8.300 nan 0.000 0.576 332 G N 2.678 111.323 108.800 -0.258 0.000 2.766 332 G HA2 -0.329 3.635 3.960 0.006 0.000 0.222 332 G HA3 -0.329 3.635 3.960 0.006 0.000 0.222 332 G C -0.513 174.373 174.900 -0.023 0.000 1.225 332 G CA 1.656 46.668 45.100 -0.146 0.000 0.784 332 G HN 0.316 nan 8.290 nan 0.000 0.631 333 P HA -0.121 nan 4.420 nan 0.000 0.219 333 P C 1.745 179.072 177.300 0.045 0.000 1.144 333 P CA 1.405 64.510 63.100 0.008 0.000 0.806 333 P CB -0.098 31.605 31.700 0.005 0.000 0.771 334 Q N -1.746 118.054 119.800 0.001 0.000 2.436 334 Q HA -0.037 4.306 4.340 0.006 0.000 0.209 334 Q C 1.262 177.284 176.000 0.037 0.000 0.965 334 Q CA 0.636 56.411 55.803 -0.047 0.000 0.910 334 Q CB -0.250 28.347 28.738 -0.235 0.000 0.980 334 Q HN 0.272 nan 8.270 nan 0.000 0.491 335 L N -0.399 120.854 121.223 0.049 0.000 2.513 335 L HA 0.107 4.450 4.340 0.006 0.000 0.222 335 L C 0.416 177.284 176.870 -0.004 0.000 1.096 335 L CA 0.573 55.417 54.840 0.006 0.000 0.857 335 L CB 0.235 42.244 42.059 -0.084 0.000 1.026 335 L HN 0.088 nan 8.230 nan 0.000 0.469 336 L N 0.159 121.386 121.223 0.006 0.000 2.367 336 L HA 0.053 4.396 4.340 0.006 0.000 0.275 336 L C 1.597 178.474 176.870 0.012 0.000 1.129 336 L CA -0.163 54.676 54.840 -0.001 0.000 0.839 336 L CB 0.531 42.592 42.059 0.003 0.000 1.133 336 L HN 0.006 nan 8.230 nan 0.000 0.453 337 K N 1.520 121.924 120.400 0.008 0.000 2.147 337 K HA -0.116 4.207 4.320 0.006 0.000 0.205 337 K C 0.169 176.793 176.600 0.040 0.000 1.049 337 K CA 1.338 57.645 56.287 0.033 0.000 0.936 337 K CB 0.177 32.707 32.500 0.051 0.000 0.722 337 K HN 0.731 nan 8.250 nan 0.000 0.446 338 D N -2.806 117.601 120.400 0.012 0.000 2.643 338 D HA 0.283 4.926 4.640 0.006 0.000 0.283 338 D C -1.191 175.107 176.300 -0.003 0.000 1.242 338 D CA -0.575 53.444 54.000 0.032 0.000 0.863 338 D CB 1.711 42.578 40.800 0.111 0.000 1.382 338 D HN -0.013 nan 8.370 nan 0.000 0.444 339 T N -1.142 113.442 114.554 0.050 0.000 2.645 339 T HA 0.584 4.938 4.350 0.006 0.000 0.273 339 T C -1.162 173.655 174.700 0.196 0.000 0.960 339 T CA -0.371 61.765 62.100 0.061 0.000 1.051 339 T CB 0.485 69.335 68.868 -0.030 0.000 1.366 339 T HN 0.456 nan 8.240 nan 0.000 0.536 340 Y N 0.061 120.373 120.300 0.019 0.000 2.810 340 Y HA 0.642 5.195 4.550 0.005 0.000 0.244 340 Y C 0.076 175.966 175.900 -0.016 0.000 1.092 340 Y CA -0.712 57.411 58.100 0.038 0.000 1.130 340 Y CB -0.720 37.777 38.460 0.061 0.000 1.219 340 Y HN 0.338 nan 8.280 nan 0.000 0.616 341 I N -0.651 119.792 120.570 -0.212 0.000 4.240 341 I HA 0.303 4.476 4.170 0.006 0.000 0.331 341 I C 1.100 177.126 176.117 -0.152 0.000 1.381 341 I CA -0.095 61.064 61.300 -0.235 0.000 1.136 341 I CB 0.595 38.395 38.000 -0.332 0.000 1.137 341 I HN 0.169 nan 8.210 nan 0.000 0.411 342 V N -1.248 118.609 119.914 -0.095 0.000 0.621 342 V HA -0.443 3.680 4.120 0.006 0.000 0.092 342 V C 0.774 176.807 176.094 -0.102 0.000 1.583 342 V CA 1.810 64.063 62.300 -0.078 0.000 3.311 342 V CB -1.678 30.100 31.823 -0.075 0.000 0.582 342 V HN 0.458 nan 8.190 nan 0.000 0.594 343 Q N 1.713 121.420 119.800 -0.155 0.000 2.584 343 Q HA 0.530 4.873 4.340 0.006 0.000 0.218 343 Q C 0.024 175.893 176.000 -0.217 0.000 1.079 343 Q CA 0.636 56.327 55.803 -0.186 0.000 1.008 343 Q CB 0.354 28.945 28.738 -0.246 0.000 1.267 343 Q HN 0.704 nan 8.270 nan 0.000 0.586 344 E N 0.002 120.087 120.200 -0.192 0.000 2.212 344 E HA 0.344 4.698 4.350 0.006 0.000 0.268 344 E C -1.040 175.452 176.600 -0.179 0.000 0.902 344 E CA -0.582 55.748 56.400 -0.116 0.000 0.779 344 E CB 1.092 30.791 29.700 -0.001 0.000 1.172 344 E HN 0.301 nan 8.360 nan 0.000 0.409 345 F N 1.402 121.350 119.950 -0.003 0.000 2.389 345 F HA 0.111 4.641 4.527 0.005 0.000 0.337 345 F C 0.913 176.645 175.800 -0.113 0.000 1.112 345 F CA -0.084 57.849 58.000 -0.111 0.000 1.192 345 F CB 0.735 39.635 39.000 -0.166 0.000 1.185 345 F HN 0.267 nan 8.300 nan 0.000 0.552 346 E N 2.927 123.112 120.200 -0.024 0.000 2.014 346 E HA 0.138 4.491 4.350 0.006 0.000 0.275 346 E C -1.540 175.012 176.600 -0.080 0.000 0.997 346 E CA -0.338 56.056 56.400 -0.010 0.000 0.804 346 E CB 0.484 30.174 29.700 -0.018 0.000 1.090 346 E HN 0.445 nan 8.360 nan 0.000 0.401 347 Y N 3.612 124.026 120.300 0.189 0.000 2.478 347 Y HA 0.226 4.779 4.550 0.006 0.000 0.329 347 Y C 0.113 176.166 175.900 0.256 0.000 0.967 347 Y CA -0.695 57.532 58.100 0.211 0.000 1.255 347 Y CB 0.822 39.409 38.460 0.212 0.000 1.103 347 Y HN 0.326 nan 8.280 nan 0.000 0.497 348 K N 0.852 121.419 120.400 0.278 0.000 2.562 348 K HA 0.413 4.736 4.320 0.006 0.000 0.267 348 K C -1.251 175.422 176.600 0.121 0.000 0.938 348 K CA -0.971 55.422 56.287 0.176 0.000 0.840 348 K CB 1.875 34.428 32.500 0.090 0.000 1.390 348 K HN 0.349 nan 8.250 nan 0.000 0.428 349 D N 1.306 121.760 120.400 0.089 0.000 2.716 349 D HA -0.164 4.480 4.640 0.006 0.000 0.239 349 D C 0.744 177.087 176.300 0.071 0.000 1.125 349 D CA 1.715 55.752 54.000 0.061 0.000 0.681 349 D CB -1.330 39.494 40.800 0.040 0.000 1.070 349 D HN 1.210 nan 8.370 nan 0.000 0.432 350 G N -0.100 108.759 108.800 0.100 0.000 2.212 350 G HA2 -0.355 3.609 3.960 0.006 0.000 0.267 350 G HA3 -0.355 3.609 3.960 0.006 0.000 0.267 350 G C 0.309 175.262 174.900 0.089 0.000 1.002 350 G CA 1.487 46.634 45.100 0.079 0.000 0.729 350 G HN 0.569 nan 8.290 nan 0.000 0.517 351 Q N -2.100 117.772 119.800 0.120 0.000 2.683 351 Q HA 0.821 5.164 4.340 0.006 0.000 0.302 351 Q C -0.951 175.120 176.000 0.120 0.000 1.042 351 Q CA -0.873 54.989 55.803 0.099 0.000 0.773 351 Q CB 2.877 31.643 28.738 0.047 0.000 1.508 351 Q HN 0.550 nan 8.270 nan 0.000 0.459 352 V N -0.329 119.598 119.914 0.022 0.000 2.971 352 V HA 0.837 4.960 4.120 0.006 0.000 0.309 352 V C -1.651 174.383 176.094 -0.099 0.000 1.130 352 V CA -0.530 61.685 62.300 -0.142 0.000 0.964 352 V CB 1.959 33.584 31.823 -0.331 0.000 1.029 352 V HN 0.883 nan 8.190 nan 0.000 0.427 353 A N 5.687 128.444 122.820 -0.105 0.000 2.310 353 A HA 0.767 5.090 4.320 0.006 0.000 0.299 353 A C -0.560 177.012 177.584 -0.020 0.000 1.147 353 A CA -0.444 51.564 52.037 -0.048 0.000 0.818 353 A CB 0.487 19.463 19.000 -0.040 0.000 1.096 353 A HN 0.747 nan 8.150 nan 0.000 0.495 354 I N 3.177 123.740 120.570 -0.012 0.000 2.452 354 I HA 0.211 4.385 4.170 0.006 0.000 0.287 354 I C -1.977 174.143 176.117 0.004 0.000 1.079 354 I CA -1.862 59.442 61.300 0.007 0.000 1.387 354 I CB 0.486 38.482 38.000 -0.007 0.000 1.404 354 I HN 0.367 nan 8.210 nan 0.000 0.522 355 P HA -0.034 nan 4.420 nan 0.000 0.256 355 P C -0.691 176.588 177.300 -0.035 0.000 1.173 355 P CA 0.118 63.200 63.100 -0.030 0.000 0.768 355 P CB 0.191 31.876 31.700 -0.025 0.000 0.758 356 Q N 2.407 122.178 119.800 -0.049 0.000 2.259 356 Q HA 0.624 4.968 4.340 0.006 0.000 0.249 356 Q C 0.793 176.767 176.000 -0.043 0.000 0.914 356 Q CA 0.236 56.015 55.803 -0.040 0.000 0.904 356 Q CB 1.623 30.337 28.738 -0.040 0.000 1.213 356 Q HN 0.720 nan 8.270 nan 0.000 0.428 357 G N 2.497 111.278 108.800 -0.032 0.000 2.339 357 G HA2 0.024 3.987 3.960 0.006 0.000 0.381 357 G HA3 0.024 3.987 3.960 0.006 0.000 0.381 357 G C -3.049 171.841 174.900 -0.016 0.000 1.400 357 G CA -1.038 44.046 45.100 -0.027 0.000 1.002 357 G HN 0.422 nan 8.290 nan 0.000 0.633 358 P HA 0.452 nan 4.420 nan 0.000 0.272 358 P C 1.222 178.531 177.300 0.015 0.000 1.223 358 P CA 1.635 64.736 63.100 0.001 0.000 0.784 358 P CB 0.934 32.638 31.700 0.007 0.000 0.923 359 G N 1.652 110.466 108.800 0.023 0.000 2.574 359 G HA2 -0.324 3.639 3.960 0.006 0.000 0.282 359 G HA3 -0.324 3.639 3.960 0.006 0.000 0.282 359 G C 0.613 175.540 174.900 0.045 0.000 1.257 359 G CA 0.224 45.353 45.100 0.049 0.000 0.956 359 G HN 0.433 nan 8.290 nan 0.000 0.560 360 L N 2.475 123.737 121.223 0.065 0.000 2.447 360 L HA 0.220 4.564 4.340 0.006 0.000 0.225 360 L C 2.800 179.687 176.870 0.030 0.000 1.148 360 L CA 2.425 57.300 54.840 0.059 0.000 0.808 360 L CB -1.287 40.822 42.059 0.083 0.000 0.928 360 L HN 2.337 nan 8.230 nan 0.000 0.448 361 G N -1.204 107.602 108.800 0.009 0.000 2.147 361 G HA2 -0.214 3.750 3.960 0.006 0.000 0.244 361 G HA3 -0.214 3.750 3.960 0.006 0.000 0.244 361 G C 0.137 174.995 174.900 -0.069 0.000 1.005 361 G CA 0.296 45.381 45.100 -0.025 0.000 0.713 361 G HN 0.279 nan 8.290 nan 0.000 0.515 362 V N 0.125 120.003 119.914 -0.060 0.000 2.777 362 V HA 0.551 4.674 4.120 0.006 0.000 0.306 362 V C -1.504 174.539 176.094 -0.085 0.000 1.112 362 V CA -0.751 61.475 62.300 -0.123 0.000 0.917 362 V CB 2.077 33.799 31.823 -0.168 0.000 1.018 362 V HN 0.306 nan 8.190 nan 0.000 0.426 363 D N 4.177 124.516 120.400 -0.103 0.000 2.217 363 D HA 0.503 5.147 4.640 0.006 0.000 0.243 363 D C -0.079 176.141 176.300 -0.133 0.000 1.054 363 D CA -0.357 53.593 54.000 -0.083 0.000 0.838 363 D CB 2.001 42.774 40.800 -0.044 0.000 1.162 363 D HN 0.574 nan 8.370 nan 0.000 0.472 364 V N 0.023 119.812 119.914 -0.209 0.000 2.655 364 V HA 0.192 4.315 4.120 0.006 0.000 0.300 364 V C 0.337 176.380 176.094 -0.084 0.000 1.044 364 V CA -0.204 61.955 62.300 -0.234 0.000 1.095 364 V CB 1.119 32.582 31.823 -0.599 0.000 0.952 364 V HN 0.505 nan 8.190 nan 0.000 0.485 368 K N 1.251 121.751 120.400 0.167 0.000 2.217 368 K HA 0.062 4.385 4.320 0.006 0.000 0.202 368 K C 1.942 178.771 176.600 0.382 0.000 1.051 368 K CA 0.780 57.244 56.287 0.295 0.000 0.952 368 K CB 0.496 33.205 32.500 0.349 0.000 0.736 368 K HN -0.029 nan 8.250 nan 0.000 0.453 369 V N 1.726 121.786 119.914 0.245 0.000 2.548 369 V HA -0.207 3.916 4.120 0.006 0.000 0.249 369 V C 1.514 177.683 176.094 0.126 0.000 1.055 369 V CA 1.668 64.053 62.300 0.142 0.000 1.065 369 V CB -0.531 31.353 31.823 0.102 0.000 0.681 369 V HN 0.365 nan 8.190 nan 0.000 0.462 370 N N -0.652 118.126 118.700 0.131 0.000 2.250 370 N HA -0.096 4.648 4.740 0.006 0.000 0.181 370 N C 1.791 177.337 175.510 0.060 0.000 1.017 370 N CA 0.987 54.090 53.050 0.087 0.000 0.866 370 N CB -0.148 38.388 38.487 0.082 0.000 0.985 370 N HN 0.455 nan 8.380 nan 0.000 0.429 371 F N 0.821 120.726 119.950 -0.075 0.000 2.134 371 F HA -0.174 4.356 4.527 0.005 0.000 0.299 371 F C 1.112 176.734 175.800 -0.298 0.000 1.097 371 F CA 1.435 59.296 58.000 -0.232 0.000 1.264 371 F CB -0.113 38.648 39.000 -0.399 0.000 1.001 371 F HN 0.062 nan 8.300 nan 0.000 0.479 372 Y N 0.071 120.438 120.300 0.112 0.000 2.490 372 Y HA 0.158 4.711 4.550 0.006 0.000 0.281 372 Y C 0.880 176.745 175.900 -0.058 0.000 1.174 372 Y CA -0.039 58.067 58.100 0.010 0.000 1.295 372 Y CB -0.986 37.527 38.460 0.089 0.000 1.062 372 Y HN -0.246 nan 8.280 nan 0.000 0.522 373 T N 2.220 116.795 114.554 0.035 0.000 2.834 373 T HA 0.111 4.464 4.350 0.006 0.000 0.298 373 T C 0.663 175.351 174.700 -0.019 0.000 0.966 373 T CA -0.520 61.588 62.100 0.012 0.000 1.141 373 T CB 0.732 69.606 68.868 0.009 0.000 0.905 373 T HN 0.258 nan 8.240 nan 0.000 0.535 374 R N 0.000 120.501 120.500 0.002 0.000 2.786 374 R HA 0.000 4.343 4.340 0.006 0.000 0.208 374 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 374 R CB 0.000 30.305 30.300 0.009 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535