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_D 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 0.000 176.303 176.300 0.005 0.000 2.045 5 D CA 0.000 54.004 54.000 0.007 0.000 0.868 5 D CB 0.000 40.809 40.800 0.015 0.000 0.688 6 L N 1.689 122.910 121.223 -0.004 0.000 2.591 6 L HA 0.428 4.768 4.340 0.000 0.000 0.228 6 L C 0.141 176.977 176.870 -0.057 0.000 1.133 6 L CA 0.894 55.722 54.840 -0.020 0.000 0.880 6 L CB -0.551 41.491 42.059 -0.028 0.000 1.033 6 L HN 0.069 nan 8.230 nan 0.000 0.450 7 T N 0.931 115.459 114.554 -0.044 0.000 2.905 7 T HA 0.015 4.365 4.350 0.000 0.000 0.299 7 T C 0.362 175.038 174.700 -0.040 0.000 1.024 7 T CA 0.057 62.129 62.100 -0.048 0.000 1.151 7 T CB 0.235 69.085 68.868 -0.030 0.000 0.987 7 T HN -0.139 nan 8.240 nan 0.000 0.535 8 I N 4.432 124.972 120.570 -0.050 0.000 2.363 8 I HA 0.102 4.272 4.170 0.000 0.000 0.292 8 I C 1.447 177.557 176.117 -0.011 0.000 1.075 8 I CA 0.303 61.584 61.300 -0.032 0.000 1.333 8 I CB 1.075 39.048 38.000 -0.045 0.000 1.415 8 I HN 0.562 nan 8.210 nan 0.000 0.502 9 Q N 4.544 124.350 119.800 0.010 0.000 2.165 9 Q HA 0.167 4.507 4.340 0.000 0.000 0.197 9 Q C 0.641 176.644 176.000 0.005 0.000 0.952 9 Q CA 0.903 56.709 55.803 0.006 0.000 0.848 9 Q CB 0.344 29.088 28.738 0.009 0.000 0.931 9 Q HN 0.597 nan 8.270 nan 0.000 0.470 10 K N -0.251 120.171 120.400 0.038 0.000 2.533 10 K HA 0.483 4.803 4.320 0.000 0.000 0.272 10 K C -1.636 175.047 176.600 0.138 0.000 0.985 10 K CA -0.658 55.643 56.287 0.023 0.000 0.876 10 K CB 2.424 34.857 32.500 -0.112 0.000 1.452 10 K HN -0.109 nan 8.250 nan 0.000 0.439 11 V N -0.667 119.314 119.914 0.112 0.000 2.655 11 V HA 0.569 4.689 4.120 0.000 0.000 0.301 11 V C -1.203 174.966 176.094 0.125 0.000 1.082 11 V CA -0.783 61.607 62.300 0.151 0.000 0.899 11 V CB 1.427 33.292 31.823 0.070 0.000 1.014 11 V HN 0.847 nan 8.190 nan 0.000 0.429 12 E N 2.782 123.096 120.200 0.190 0.000 2.299 12 E HA 0.821 5.172 4.350 0.000 0.000 0.265 12 E C -0.748 175.935 176.600 0.139 0.000 0.911 12 E CA -0.852 55.636 56.400 0.146 0.000 0.789 12 E CB 2.463 32.274 29.700 0.184 0.000 1.246 12 E HN 0.966 nan 8.360 nan 0.000 0.427 13 S N 1.636 117.397 115.700 0.102 0.000 2.571 13 S HA 0.629 5.099 4.470 0.000 0.000 0.284 13 S C -0.641 174.002 174.600 0.072 0.000 1.128 13 S CA -1.041 57.213 58.200 0.091 0.000 0.970 13 S CB 1.519 64.760 63.200 0.069 0.000 1.039 13 S HN 0.447 nan 8.310 nan 0.000 0.485 14 R N 1.889 122.429 120.500 0.066 0.000 2.561 14 R HA 0.538 4.878 4.340 0.000 0.000 0.297 14 R C -0.933 175.373 176.300 0.010 0.000 0.969 14 R CA -0.662 55.459 56.100 0.036 0.000 0.879 14 R CB 1.854 32.173 30.300 0.033 0.000 1.178 14 R HN 0.660 nan 8.270 nan 0.000 0.445 15 I N 4.860 125.431 120.570 0.002 0.000 2.325 15 I HA 0.224 4.395 4.170 0.000 0.000 0.291 15 I C -0.188 175.918 176.117 -0.018 0.000 1.019 15 I CA -0.326 60.972 61.300 -0.003 0.000 1.302 15 I CB 0.707 38.706 38.000 -0.002 0.000 1.401 15 I HN 0.322 nan 8.210 nan 0.000 0.485 16 L N 6.100 127.299 121.223 -0.041 0.000 2.317 16 L HA 0.487 4.827 4.340 0.000 0.000 0.281 16 L C -0.731 176.122 176.870 -0.027 0.000 1.024 16 L CA -0.726 54.067 54.840 -0.077 0.000 0.810 16 L CB 1.565 43.477 42.059 -0.245 0.000 1.240 16 L HN 0.490 nan 8.230 nan 0.000 0.427 17 D N 3.243 123.643 120.400 0.000 0.000 2.446 17 D HA 0.232 4.872 4.640 0.000 0.000 0.251 17 D C -0.749 175.512 176.300 -0.065 0.000 1.137 17 D CA -0.013 53.995 54.000 0.013 0.000 0.890 17 D CB 2.709 43.565 40.800 0.092 0.000 1.071 17 D HN 0.168 nan 8.370 nan 0.000 0.528 18 V N 2.310 122.101 119.914 -0.205 0.000 2.398 18 V HA 0.476 4.597 4.120 0.000 0.000 0.286 18 V C -2.725 173.245 176.094 -0.206 0.000 1.026 18 V CA -2.233 59.843 62.300 -0.373 0.000 0.868 18 V CB 2.001 33.517 31.823 -0.512 0.000 0.982 18 V HN 0.108 nan 8.190 nan 0.000 0.443 19 P HA 0.220 nan 4.420 nan 0.000 0.268 19 P C -0.864 176.410 177.300 -0.043 0.000 1.204 19 P CA -0.113 62.962 63.100 -0.042 0.000 0.768 19 P CB 0.489 32.212 31.700 0.038 0.000 0.842 20 L N 3.409 124.615 121.223 -0.030 0.000 2.421 20 L HA 0.232 4.572 4.340 0.000 0.000 0.263 20 L C 1.749 178.626 176.870 0.012 0.000 1.122 20 L CA 0.125 54.952 54.840 -0.021 0.000 0.804 20 L CB -0.106 41.937 42.059 -0.027 0.000 1.150 20 L HN 0.408 nan 8.230 nan 0.000 0.457 21 I N 0.512 121.095 120.570 0.022 0.000 2.546 21 I HA -0.087 4.083 4.170 0.000 0.000 0.255 21 I C 0.566 176.710 176.117 0.046 0.000 1.163 21 I CA 0.885 62.210 61.300 0.042 0.000 1.457 21 I CB -0.095 37.938 38.000 0.054 0.000 1.092 21 I HN 0.568 nan 8.210 nan 0.000 0.434 22 R N -0.695 119.832 120.500 0.045 0.000 2.710 22 R HA 0.369 4.709 4.340 0.000 0.000 0.270 22 R C -2.744 173.588 176.300 0.053 0.000 1.021 22 R CA -1.704 54.427 56.100 0.051 0.000 0.889 22 R CB 1.009 31.351 30.300 0.070 0.000 1.243 22 R HN -0.292 nan 8.270 nan 0.000 0.464 23 P HA 0.033 nan 4.420 nan 0.000 0.271 23 P C -1.093 176.237 177.300 0.049 0.000 1.226 23 P CA 0.034 63.157 63.100 0.038 0.000 0.765 23 P CB 0.352 32.059 31.700 0.012 0.000 0.835 24 H N 2.021 121.028 119.070 -0.105 0.000 2.685 24 H HA 0.500 5.056 4.556 0.000 0.000 0.286 24 H C 0.544 175.644 175.328 -0.379 0.000 1.102 24 H CA -0.096 55.806 56.048 -0.244 0.000 1.254 24 H CB 0.146 29.782 29.762 -0.211 0.000 1.397 24 H HN 0.437 nan 8.280 nan 0.000 0.473 25 G N 4.108 112.603 108.800 -0.509 0.000 2.338 25 G HA2 0.396 4.356 3.960 0.000 0.000 0.298 25 G HA3 0.396 4.356 3.960 0.000 0.000 0.298 25 G C -0.859 173.642 174.900 -0.666 0.000 1.140 25 G CA -0.252 44.584 45.100 -0.441 0.000 0.860 25 G HN 0.384 nan 8.290 nan 0.000 0.470 26 F N 0.868 120.668 119.950 -0.250 0.000 2.656 26 F HA 0.563 5.090 4.527 0.000 0.000 0.394 26 F C 1.674 177.289 175.800 -0.308 0.000 1.168 26 F CA -0.231 57.581 58.000 -0.312 0.000 1.135 26 F CB 1.171 39.843 39.000 -0.546 0.000 1.480 26 F HN 0.475 nan 8.300 nan 0.000 0.500 27 A N -0.630 122.141 122.820 -0.081 0.000 2.119 27 A HA 0.015 4.335 4.320 0.000 0.000 0.217 27 A C 1.441 178.945 177.584 -0.133 0.000 1.153 27 A CA 2.104 54.083 52.037 -0.098 0.000 0.692 27 A CB -1.126 17.842 19.000 -0.054 0.000 0.799 27 A HN 0.798 nan 8.150 nan 0.000 0.458 28 T N -5.603 108.795 114.554 -0.260 0.000 3.028 28 T HA 0.250 4.601 4.350 0.000 0.000 0.262 28 T C 0.549 175.110 174.700 -0.231 0.000 0.916 28 T CA 0.852 62.827 62.100 -0.208 0.000 0.873 28 T CB -0.152 68.614 68.868 -0.170 0.000 1.232 28 T HN 0.624 nan 8.240 nan 0.000 0.529 29 T N -0.180 114.165 114.554 -0.348 0.000 2.838 29 T HA 0.709 5.059 4.350 0.000 0.000 0.292 29 T C -1.251 173.403 174.700 -0.077 0.000 1.113 29 T CA -0.601 61.367 62.100 -0.221 0.000 1.008 29 T CB 2.047 70.726 68.868 -0.315 0.000 1.259 29 T HN 0.043 nan 8.240 nan 0.000 0.520 30 T N 1.460 116.017 114.554 0.006 0.000 2.921 30 T HA 0.648 4.999 4.350 0.000 0.000 0.297 30 T C -0.670 174.094 174.700 0.107 0.000 1.013 30 T CA -0.659 61.462 62.100 0.035 0.000 0.990 30 T CB 1.693 70.553 68.868 -0.014 0.000 1.023 30 T HN 0.713 nan 8.240 nan 0.000 0.447 31 S N 1.208 117.000 115.700 0.152 0.000 2.608 31 S HA 0.633 5.103 4.470 0.000 0.000 0.291 31 S C 1.060 175.712 174.600 0.087 0.000 1.146 31 S CA -0.745 57.551 58.200 0.160 0.000 1.043 31 S CB 1.430 64.783 63.200 0.255 0.000 1.037 31 S HN 0.932 nan 8.310 nan 0.000 0.520 32 T N -2.083 112.502 114.554 0.051 0.000 3.009 32 T HA 0.284 4.634 4.350 0.000 0.000 0.267 32 T C -0.141 174.553 174.700 -0.010 0.000 0.942 32 T CA -0.376 61.740 62.100 0.027 0.000 0.883 32 T CB -0.123 68.765 68.868 0.033 0.000 1.192 32 T HN 0.740 nan 8.240 nan 0.000 0.524 33 E N 0.737 120.902 120.200 -0.058 0.000 2.352 33 E HA 0.579 4.929 4.350 0.000 0.000 0.280 33 E C -1.503 174.908 176.600 -0.316 0.000 0.930 33 E CA -1.131 55.181 56.400 -0.148 0.000 0.765 33 E CB 1.487 31.112 29.700 -0.125 0.000 1.219 33 E HN 0.001 nan 8.360 nan 0.000 0.434 34 Q N 2.048 121.673 119.800 -0.291 0.000 2.256 34 Q HA 0.255 4.596 4.340 0.000 0.000 0.257 34 Q C -1.296 174.479 176.000 -0.375 0.000 0.936 34 Q CA -0.453 55.162 55.803 -0.313 0.000 0.903 34 Q CB 0.935 29.583 28.738 -0.149 0.000 1.263 34 Q HN 0.571 nan 8.270 nan 0.000 0.440 35 H N 4.670 123.722 119.070 -0.030 0.000 2.489 35 H HA 0.465 5.021 4.556 0.000 0.000 0.322 35 H C -0.468 174.822 175.328 -0.062 0.000 1.091 35 H CA -0.319 55.701 56.048 -0.046 0.000 1.291 35 H CB 0.672 30.413 29.762 -0.036 0.000 1.436 35 H HN 0.581 nan 8.280 nan 0.000 0.480 36 I N 3.834 124.424 120.570 0.034 0.000 2.512 36 I HA 0.033 4.203 4.170 0.000 0.000 0.287 36 I C -0.603 175.513 176.117 -0.002 0.000 1.069 36 I CA -0.862 60.438 61.300 0.000 0.000 1.056 36 I CB 2.533 40.528 38.000 -0.009 0.000 1.229 36 I HN 0.199 nan 8.210 nan 0.000 0.429 37 L N 7.453 128.683 121.223 0.012 0.000 2.295 37 L HA 0.360 4.701 4.340 0.000 0.000 0.288 37 L C -0.689 176.210 176.870 0.048 0.000 1.079 37 L CA -0.193 54.661 54.840 0.023 0.000 0.830 37 L CB 0.707 42.782 42.059 0.026 0.000 1.200 37 L HN 0.487 nan 8.230 nan 0.000 0.438 38 L N 6.633 127.884 121.223 0.046 0.000 2.283 38 L HA 0.414 4.754 4.340 0.000 0.000 0.287 38 L C -0.613 176.351 176.870 0.155 0.000 1.073 38 L CA 0.212 55.115 54.840 0.106 0.000 0.822 38 L CB 0.873 42.964 42.059 0.054 0.000 1.186 38 L HN 0.379 nan 8.230 nan 0.000 0.436 39 V N 4.116 124.136 119.914 0.176 0.000 2.472 39 V HA 0.662 4.783 4.120 0.000 0.000 0.290 39 V C 0.057 176.260 176.094 0.182 0.000 1.037 39 V CA -0.399 61.995 62.300 0.156 0.000 0.908 39 V CB 1.653 33.538 31.823 0.104 0.000 0.985 39 V HN 0.894 nan 8.190 nan 0.000 0.454 40 S N 3.190 118.954 115.700 0.107 0.000 2.521 40 S HA 0.756 5.226 4.470 0.000 0.000 0.295 40 S C -1.020 173.453 174.600 -0.211 0.000 1.098 40 S CA -0.758 57.342 58.200 -0.167 0.000 0.999 40 S CB 1.793 64.895 63.200 -0.163 0.000 1.034 40 S HN 0.366 nan 8.310 nan 0.000 0.483 41 V N 4.587 124.286 119.914 -0.360 0.000 2.328 41 V HA 0.362 4.482 4.120 0.000 0.000 0.278 41 V C -0.431 175.468 176.094 -0.325 0.000 1.021 41 V CA -0.520 61.659 62.300 -0.203 0.000 0.838 41 V CB 0.582 32.329 31.823 -0.127 0.000 0.999 41 V HN 0.915 nan 8.190 nan 0.000 0.447 42 H N 6.014 125.032 119.070 -0.087 0.000 2.594 42 H HA 0.455 5.011 4.556 0.000 0.000 0.304 42 H C -0.399 174.899 175.328 -0.050 0.000 1.068 42 H CA -0.395 55.612 56.048 -0.068 0.000 1.308 42 H CB 1.512 31.248 29.762 -0.042 0.000 1.409 42 H HN 0.427 nan 8.280 nan 0.000 0.460 43 L N 1.822 123.063 121.223 0.031 0.000 2.399 43 L HA 0.057 4.397 4.340 0.000 0.000 0.265 43 L C 1.859 178.746 176.870 0.028 0.000 1.089 43 L CA -0.438 54.411 54.840 0.014 0.000 0.802 43 L CB 1.150 43.206 42.059 -0.005 0.000 1.180 43 L HN 0.556 nan 8.230 nan 0.000 0.454 44 E N 2.022 122.230 120.200 0.014 0.000 2.070 44 E HA -0.263 4.087 4.350 0.000 0.000 0.197 44 E C 1.409 178.020 176.600 0.019 0.000 1.004 44 E CA 2.184 58.592 56.400 0.014 0.000 0.805 44 E CB -0.250 29.453 29.700 0.004 0.000 0.744 44 E HN 0.721 nan 8.360 nan 0.000 0.451 45 N N -1.184 117.528 118.700 0.020 0.000 2.626 45 N HA -0.059 4.682 4.740 0.000 0.000 0.193 45 N C 1.138 176.665 175.510 0.028 0.000 1.213 45 N CA 0.589 53.653 53.050 0.023 0.000 0.914 45 N CB -0.079 38.424 38.487 0.027 0.000 0.994 45 N HN 0.291 nan 8.380 nan 0.000 0.447 46 G N -0.010 108.810 108.800 0.033 0.000 2.184 46 G HA2 -0.319 3.641 3.960 0.000 0.000 0.264 46 G HA3 -0.319 3.641 3.960 0.000 0.000 0.264 46 G C 0.035 174.957 174.900 0.037 0.000 0.975 46 G CA 0.323 45.449 45.100 0.043 0.000 0.642 46 G HN 0.411 nan 8.290 nan 0.000 0.536 47 V N 1.177 121.103 119.914 0.020 0.000 2.775 47 V HA 0.667 4.787 4.120 0.000 0.000 0.299 47 V C 0.434 176.492 176.094 -0.060 0.000 1.062 47 V CA -0.276 62.024 62.300 -0.001 0.000 1.063 47 V CB 1.107 32.936 31.823 0.009 0.000 0.994 47 V HN 0.307 nan 8.190 nan 0.000 0.483 48 I N 5.733 126.229 120.570 -0.122 0.000 2.499 48 I HA 0.586 4.756 4.170 0.000 0.000 0.288 48 I C 0.409 176.263 176.117 -0.438 0.000 1.048 48 I CA -0.446 60.641 61.300 -0.356 0.000 1.062 48 I CB 1.880 39.625 38.000 -0.426 0.000 1.238 48 I HN 0.734 nan 8.210 nan 0.000 0.426 49 G N 4.603 113.099 108.800 -0.507 0.000 2.432 49 G HA2 0.698 4.658 3.960 0.000 0.000 0.331 49 G HA3 0.698 4.658 3.960 0.000 0.000 0.331 49 G C -1.695 172.846 174.900 -0.599 0.000 1.170 49 G CA -0.271 44.608 45.100 -0.369 0.000 0.943 49 G HN 0.381 nan 8.290 nan 0.000 0.483 50 Y N -0.686 119.624 120.300 0.016 0.000 2.524 50 Y HA 0.731 5.281 4.550 0.000 0.000 0.344 50 Y C 0.686 176.620 175.900 0.057 0.000 1.012 50 Y CA -0.491 57.631 58.100 0.036 0.000 1.068 50 Y CB 2.886 41.384 38.460 0.062 0.000 1.249 50 Y HN 0.830 nan 8.280 nan 0.000 0.468 51 G N 0.718 109.657 108.800 0.232 0.000 2.690 51 G HA2 0.594 4.554 3.960 0.000 0.000 0.293 51 G HA3 0.594 4.554 3.960 0.000 0.000 0.293 51 G C -1.833 173.153 174.900 0.143 0.000 1.399 51 G CA -0.890 44.301 45.100 0.151 0.000 0.890 51 G HN 0.489 nan 8.290 nan 0.000 0.485 52 E N -0.380 119.879 120.200 0.098 0.000 2.171 52 E HA 0.529 4.879 4.350 0.000 0.000 0.271 52 E C -0.272 176.352 176.600 0.040 0.000 0.916 52 E CA -0.849 55.597 56.400 0.077 0.000 0.774 52 E CB 2.190 31.930 29.700 0.067 0.000 1.128 52 E HN 0.545 nan 8.360 nan 0.000 0.403 53 G N 1.882 110.704 108.800 0.036 0.000 2.655 53 G HA2 0.438 4.398 3.960 0.000 0.000 0.334 53 G HA3 0.438 4.398 3.960 0.000 0.000 0.334 53 G C -1.115 173.771 174.900 -0.025 0.000 1.099 53 G CA -0.256 44.857 45.100 0.021 0.000 1.075 53 G HN 0.284 nan 8.290 nan 0.000 0.463 54 V N 3.921 123.795 119.914 -0.066 0.000 2.808 54 V HA 0.771 4.891 4.120 0.000 0.000 0.308 54 V C -0.536 175.356 176.094 -0.336 0.000 1.099 54 V CA -0.593 61.617 62.300 -0.151 0.000 0.920 54 V CB 2.169 33.926 31.823 -0.110 0.000 1.014 54 V HN 0.895 nan 8.190 nan 0.000 0.425 55 V N 3.656 123.300 119.914 -0.451 0.000 2.960 55 V HA 0.794 4.915 4.120 0.000 0.000 0.315 55 V C -2.797 172.976 176.094 -0.535 0.000 1.087 55 V CA -2.885 58.958 62.300 -0.762 0.000 0.982 55 V CB 1.750 33.047 31.823 -0.877 0.000 1.039 55 V HN 0.749 nan 8.190 nan 0.000 0.437 56 P HA 0.324 nan 4.420 nan 0.000 0.268 56 P C 0.975 178.166 177.300 -0.183 0.000 1.282 56 P CA 1.645 64.513 63.100 -0.386 0.000 0.880 56 P CB 0.497 31.895 31.700 -0.502 0.000 0.971 57 G N 3.032 111.882 108.800 0.083 0.000 4.754 57 G HA2 -0.156 3.804 3.960 0.000 0.000 0.222 57 G HA3 -0.156 3.804 3.960 0.000 0.000 0.222 57 G C 0.435 175.514 174.900 0.297 0.000 1.377 57 G CA 0.043 45.342 45.100 0.331 0.000 0.942 57 G HN 0.876 nan 8.290 nan 0.000 0.671 58 G N -1.290 107.599 108.800 0.148 0.000 2.634 58 G HA2 0.708 4.669 3.960 0.000 0.000 0.309 58 G HA3 0.708 4.669 3.960 0.000 0.000 0.309 58 G C -2.350 172.423 174.900 -0.211 0.000 1.299 58 G CA 0.561 45.708 45.100 0.078 0.000 0.798 58 G HN 0.469 nan 8.290 nan 0.000 0.490 59 P HA -0.006 nan 4.420 nan 0.000 0.242 59 P C 1.439 178.705 177.300 -0.056 0.000 1.197 59 P CA 0.614 63.661 63.100 -0.087 0.000 0.765 59 P CB -0.078 31.619 31.700 -0.005 0.000 0.936 60 W N -1.825 119.496 121.300 0.035 0.000 2.465 60 W HA -0.068 4.592 4.660 0.000 0.000 0.268 60 W C 1.599 178.140 176.519 0.036 0.000 1.242 60 W CA -0.265 57.095 57.345 0.024 0.000 1.248 60 W CB -1.702 27.759 29.460 0.002 0.000 1.118 60 W HN -0.032 nan 8.180 nan 0.000 0.587 61 W N 1.915 122.479 121.300 -1.226 0.000 2.408 61 W HA 0.111 4.772 4.660 0.000 0.000 0.311 61 W C 2.231 178.539 176.519 -0.352 0.000 1.190 61 W CA 3.218 59.879 57.345 -1.139 0.000 1.321 61 W CB -0.334 28.276 29.460 -1.416 0.000 1.143 61 W HN -0.081 nan 8.180 nan 0.000 0.501 62 G N -2.474 106.454 108.800 0.213 0.000 4.399 62 G HA2 0.359 4.319 3.960 0.000 0.000 0.268 62 G HA3 0.359 4.319 3.960 0.000 0.000 0.268 62 G C 0.704 175.807 174.900 0.338 0.000 1.038 62 G CA -0.041 45.358 45.100 0.497 0.000 0.811 62 G HN 0.764 nan 8.290 nan 0.000 0.408 63 G N -0.062 108.816 108.800 0.131 0.000 2.195 63 G HA2 -0.228 3.733 3.960 0.000 0.000 0.246 63 G HA3 -0.228 3.733 3.960 0.000 0.000 0.246 63 G C 0.042 174.982 174.900 0.066 0.000 0.984 63 G CA 0.318 45.473 45.100 0.092 0.000 0.633 63 G HN 0.531 nan 8.290 nan 0.000 0.525 64 E N 0.554 120.780 120.200 0.044 0.000 2.202 64 E HA 0.641 4.991 4.350 0.000 0.000 0.272 64 E C 0.083 176.610 176.600 -0.121 0.000 0.951 64 E CA 0.081 56.475 56.400 -0.009 0.000 0.813 64 E CB 1.750 31.472 29.700 0.037 0.000 1.151 64 E HN 0.531 nan 8.360 nan 0.000 0.398 65 S N 0.135 115.783 115.700 -0.087 0.000 2.651 65 S HA 0.187 4.657 4.470 0.000 0.000 0.279 65 S C 0.551 175.104 174.600 -0.078 0.000 1.148 65 S CA -0.780 57.358 58.200 -0.105 0.000 0.837 65 S CB 1.350 64.504 63.200 -0.077 0.000 1.138 65 S HN 0.315 nan 8.310 nan 0.000 0.478 66 V N 1.285 121.152 119.914 -0.078 0.000 2.380 66 V HA -0.196 3.924 4.120 0.000 0.000 0.251 66 V C 2.133 178.206 176.094 -0.037 0.000 1.063 66 V CA 2.882 65.154 62.300 -0.047 0.000 1.055 66 V CB -1.135 30.672 31.823 -0.027 0.000 0.657 66 V HN 0.941 nan 8.190 nan 0.000 0.455 67 E N 0.134 120.302 120.200 -0.054 0.000 2.072 67 E HA -0.055 4.295 4.350 0.000 0.000 0.191 67 E C 1.432 178.028 176.600 -0.005 0.000 0.985 67 E CA 1.130 57.511 56.400 -0.032 0.000 0.801 67 E CB -0.603 29.071 29.700 -0.042 0.000 0.750 67 E HN 0.633 nan 8.360 nan 0.000 0.452 71 A N 1.865 124.729 122.820 0.073 0.000 1.908 71 A HA -0.054 4.267 4.320 0.000 0.000 0.218 71 A C 1.924 179.631 177.584 0.204 0.000 1.181 71 A CA 1.587 53.692 52.037 0.113 0.000 0.627 71 A CB -0.603 18.463 19.000 0.111 0.000 0.818 71 A HN 0.302 nan 8.150 nan 0.000 0.445 72 L N -0.904 120.430 121.223 0.185 0.000 2.072 72 L HA -0.106 4.234 4.340 0.000 0.000 0.205 72 L C 2.538 179.543 176.870 0.226 0.000 1.079 72 L CA 0.793 55.784 54.840 0.251 0.000 0.752 72 L CB -0.554 41.565 42.059 0.100 0.000 0.906 72 L HN 0.241 nan 8.230 nan 0.000 0.436 73 V N 0.062 120.056 119.914 0.133 0.000 2.237 73 V HA -0.293 3.827 4.120 0.000 0.000 0.245 73 V C 2.161 178.304 176.094 0.082 0.000 1.046 73 V CA 2.040 64.400 62.300 0.100 0.000 1.007 73 V CB -0.494 31.375 31.823 0.076 0.000 0.638 73 V HN 0.429 nan 8.190 nan 0.000 0.445 74 D N 0.647 121.085 120.400 0.063 0.000 2.097 74 D HA -0.108 4.532 4.640 0.000 0.000 0.195 74 D C 2.126 178.407 176.300 -0.032 0.000 0.989 74 D CA 1.806 55.819 54.000 0.021 0.000 0.827 74 D CB -0.607 40.201 40.800 0.013 0.000 0.966 74 D HN 0.494 nan 8.370 nan 0.000 0.456 75 G N -1.708 107.058 108.800 -0.057 0.000 2.551 75 G HA2 -0.096 3.864 3.960 0.000 0.000 0.216 75 G HA3 -0.096 3.864 3.960 0.000 0.000 0.216 75 G C 0.814 175.362 174.900 -0.587 0.000 1.137 75 G CA 0.400 45.295 45.100 -0.341 0.000 0.798 75 G HN 0.282 nan 8.290 nan 0.000 0.536 76 Y N -1.173 119.133 120.300 0.011 0.000 2.820 76 Y HA 0.361 4.912 4.550 0.000 0.000 0.261 76 Y C 2.385 178.291 175.900 0.010 0.000 1.123 76 Y CA -0.493 57.613 58.100 0.010 0.000 1.217 76 Y CB -0.030 38.437 38.460 0.012 0.000 1.432 76 Y HN -0.057 nan 8.280 nan 0.000 0.461 77 L N 0.083 121.418 121.223 0.187 0.000 1.988 77 L HA -0.099 4.241 4.340 0.000 0.000 0.207 77 L C 2.704 179.610 176.870 0.061 0.000 1.071 77 L CA 1.341 56.244 54.840 0.105 0.000 0.744 77 L CB -0.966 41.148 42.059 0.091 0.000 0.893 77 L HN 0.255 nan 8.230 nan 0.000 0.433 78 A N 1.054 123.904 122.820 0.050 0.000 1.896 78 A HA -0.195 4.126 4.320 0.000 0.000 0.220 78 A C 0.108 177.698 177.584 0.011 0.000 1.206 78 A CA 2.456 54.509 52.037 0.027 0.000 0.647 78 A CB -2.210 16.804 19.000 0.024 0.000 0.828 78 A HN 0.361 nan 8.150 nan 0.000 0.455 79 P HA -0.111 nan 4.420 nan 0.000 0.220 79 P C 1.372 178.669 177.300 -0.004 0.000 1.144 79 P CA 1.571 64.665 63.100 -0.011 0.000 0.800 79 P CB -0.258 31.424 31.700 -0.029 0.000 0.772 80 V N -0.950 118.969 119.914 0.008 0.000 2.591 80 V HA -0.157 3.963 4.120 0.000 0.000 0.249 80 V C 2.578 178.665 176.094 -0.012 0.000 1.053 80 V CA 1.248 63.550 62.300 0.003 0.000 1.068 80 V CB -1.045 30.787 31.823 0.015 0.000 0.689 80 V HN -0.010 nan 8.190 nan 0.000 0.462 81 L N -0.492 120.723 121.223 -0.013 0.000 2.072 81 L HA 0.085 4.426 4.340 0.000 0.000 0.205 81 L C 1.126 177.977 176.870 -0.032 0.000 1.079 81 L CA 1.123 55.946 54.840 -0.029 0.000 0.752 81 L CB -0.547 41.497 42.059 -0.025 0.000 0.906 81 L HN 0.153 nan 8.230 nan 0.000 0.436 82 I N 0.708 121.265 120.570 -0.020 0.000 2.919 82 I HA 0.018 4.188 4.170 0.000 0.000 0.299 82 I C 1.422 177.523 176.117 -0.026 0.000 1.221 82 I CA 1.115 62.403 61.300 -0.020 0.000 1.424 82 I CB -0.511 37.479 38.000 -0.015 0.000 1.358 82 I HN 0.502 nan 8.210 nan 0.000 0.551 83 G N 5.008 113.790 108.800 -0.029 0.000 2.195 83 G HA2 -0.209 3.751 3.960 0.000 0.000 0.224 83 G HA3 -0.209 3.751 3.960 0.000 0.000 0.224 83 G C 0.257 175.133 174.900 -0.041 0.000 0.990 83 G CA -0.499 44.583 45.100 -0.031 0.000 0.639 83 G HN 0.581 nan 8.290 nan 0.000 0.514 84 R N 0.281 120.748 120.500 -0.055 0.000 2.787 84 R HA 0.766 5.106 4.340 0.000 0.000 0.271 84 R C 0.371 176.609 176.300 -0.104 0.000 0.993 84 R CA -0.198 55.857 56.100 -0.075 0.000 0.993 84 R CB 1.511 31.763 30.300 -0.080 0.000 1.155 84 R HN 0.492 nan 8.270 nan 0.000 0.486 85 A N 1.128 123.872 122.820 -0.126 0.000 2.440 85 A HA 0.083 4.404 4.320 0.000 0.000 0.251 85 A C 1.114 178.527 177.584 -0.286 0.000 1.089 85 A CA -0.419 51.516 52.037 -0.170 0.000 0.779 85 A CB 0.822 19.731 19.000 -0.152 0.000 1.022 85 A HN 0.647 nan 8.150 nan 0.000 0.492 86 V N 2.882 122.587 119.914 -0.348 0.000 2.867 86 V HA -0.148 3.972 4.120 0.000 0.000 0.260 86 V C 2.127 177.603 176.094 -1.029 0.000 1.099 86 V CA 2.597 64.588 62.300 -0.516 0.000 1.122 86 V CB -0.626 30.954 31.823 -0.406 0.000 0.708 86 V HN 1.126 nan 8.190 nan 0.000 0.490 87 S N -1.220 113.864 115.700 -1.028 0.000 2.720 87 S HA 0.057 4.528 4.470 0.000 0.000 0.222 87 S C 1.139 175.319 174.600 -0.701 0.000 0.958 87 S CA 0.694 58.132 58.200 -1.270 0.000 0.943 87 S CB -0.290 62.683 63.200 -0.378 0.000 0.779 87 S HN 0.812 nan 8.310 nan 0.000 0.526 88 E N 0.348 120.228 120.200 -0.533 0.000 2.501 88 E HA 0.185 4.536 4.350 0.000 0.000 0.201 88 E C 1.287 177.722 176.600 -0.275 0.000 1.016 88 E CA -0.345 55.879 56.400 -0.294 0.000 0.920 88 E CB 0.103 29.686 29.700 -0.195 0.000 1.023 88 E HN 0.253 nan 8.360 nan 0.000 0.474 89 L N 2.033 123.001 121.223 -0.426 0.000 2.056 89 L HA -0.360 3.980 4.340 0.000 0.000 0.237 89 L C 2.199 178.995 176.870 -0.123 0.000 1.106 89 L CA 2.775 57.438 54.840 -0.296 0.000 0.829 89 L CB -1.341 40.491 42.059 -0.378 0.000 0.924 89 L HN 0.188 nan 8.230 nan 0.000 0.447 90 A N -0.976 121.808 122.820 -0.060 0.000 1.908 90 A HA -0.118 4.202 4.320 0.000 0.000 0.218 90 A C 2.359 179.937 177.584 -0.010 0.000 1.181 90 A CA 2.030 54.072 52.037 0.008 0.000 0.627 90 A CB -1.441 17.588 19.000 0.048 0.000 0.818 90 A HN 0.654 nan 8.150 nan 0.000 0.445 91 G N -0.371 108.406 108.800 -0.037 0.000 2.408 91 G HA2 0.036 3.996 3.960 0.000 0.000 0.217 91 G HA3 0.036 3.996 3.960 0.000 0.000 0.217 91 G C 0.935 175.815 174.900 -0.034 0.000 1.150 91 G CA 0.690 45.771 45.100 -0.032 0.000 0.776 91 G HN 0.486 nan 8.290 nan 0.000 0.542 95 D N 1.019 121.421 120.400 0.003 0.000 2.219 95 D HA -0.032 4.609 4.640 0.000 0.000 0.205 95 D C 1.840 178.148 176.300 0.013 0.000 0.970 95 D CA 0.983 54.986 54.000 0.005 0.000 0.851 95 D CB -0.089 40.710 40.800 -0.002 0.000 0.943 95 D HN 0.543 nan 8.370 nan 0.000 0.488 96 L N 0.977 122.210 121.223 0.016 0.000 2.131 96 L HA -0.137 4.203 4.340 0.000 0.000 0.210 96 L C 2.243 179.127 176.870 0.024 0.000 1.092 96 L CA 0.866 55.722 54.840 0.027 0.000 0.759 96 L CB -0.347 41.730 42.059 0.030 0.000 0.903 96 L HN -0.069 nan 8.230 nan 0.000 0.435 97 E N 0.566 120.776 120.200 0.017 0.000 2.153 97 E HA -0.189 4.161 4.350 0.000 0.000 0.194 97 E C 2.221 178.826 176.600 0.009 0.000 0.988 97 E CA 0.979 57.386 56.400 0.012 0.000 0.811 97 E CB -0.164 29.543 29.700 0.011 0.000 0.746 97 E HN 0.506 nan 8.360 nan 0.000 0.466 98 R N 0.391 120.898 120.500 0.013 0.000 2.189 98 R HA -0.074 4.266 4.340 0.000 0.000 0.223 98 R C 2.304 178.616 176.300 0.019 0.000 1.092 98 R CA 1.317 57.425 56.100 0.013 0.000 0.989 98 R CB -0.008 30.300 30.300 0.014 0.000 0.876 98 R HN 0.172 nan 8.270 nan 0.000 0.457 99 V N -4.090 115.841 119.914 0.028 0.000 3.635 99 V HA 0.260 4.381 4.120 0.000 0.000 0.266 99 V C 0.426 176.521 176.094 0.001 0.000 1.316 99 V CA -0.174 62.154 62.300 0.046 0.000 1.060 99 V CB 1.032 32.916 31.823 0.102 0.000 0.820 99 V HN -0.161 nan 8.190 nan 0.000 0.447 100 V N 1.437 121.345 119.914 -0.011 0.000 2.610 100 V HA 0.842 4.963 4.120 0.000 0.000 0.298 100 V C 0.112 176.190 176.094 -0.027 0.000 1.067 100 V CA -0.265 62.004 62.300 -0.051 0.000 0.894 100 V CB 1.157 32.955 31.823 -0.042 0.000 1.015 100 V HN 0.528 nan 8.190 nan 0.000 0.432 101 A N 5.112 127.909 122.820 -0.039 0.000 2.302 101 A HA 0.884 5.204 4.320 0.000 0.000 0.285 101 A C 0.781 178.357 177.584 -0.014 0.000 1.105 101 A CA -0.100 51.923 52.037 -0.023 0.000 0.816 101 A CB 0.440 19.421 19.000 -0.031 0.000 1.067 101 A HN 0.987 nan 8.150 nan 0.000 0.489 102 R N 0.294 120.795 120.500 0.001 0.000 3.815 102 R HA -0.255 4.085 4.340 0.000 0.000 0.470 102 R C 0.937 177.275 176.300 0.064 0.000 0.241 102 R CA 1.144 57.260 56.100 0.026 0.000 1.481 102 R CB -1.779 28.516 30.300 -0.007 0.000 0.988 102 R HN 2.548 nan 8.270 nan 0.000 0.570 103 A N 0.692 123.578 122.820 0.109 0.000 2.745 103 A HA -0.270 4.050 4.320 0.000 0.000 0.296 103 A C 1.316 178.988 177.584 0.147 0.000 1.500 103 A CA 1.720 53.843 52.037 0.143 0.000 0.766 103 A CB -0.855 18.187 19.000 0.069 0.000 1.030 103 A HN 0.486 nan 8.150 nan 0.000 0.489 104 R N -1.293 119.313 120.500 0.176 0.000 2.103 104 R HA -0.206 4.134 4.340 0.000 0.000 0.242 104 R C 1.532 177.818 176.300 -0.023 0.000 1.142 104 R CA 2.329 58.468 56.100 0.065 0.000 0.960 104 R CB -0.744 29.596 30.300 0.066 0.000 0.858 104 R HN 0.793 nan 8.270 nan 0.000 0.439 105 Y N 0.807 121.106 120.300 -0.003 0.000 2.207 105 Y HA -0.218 4.333 4.550 0.001 0.000 0.287 105 Y C 2.551 178.417 175.900 -0.056 0.000 1.156 105 Y CA 1.492 59.527 58.100 -0.108 0.000 1.182 105 Y CB -0.592 37.767 38.460 -0.169 0.000 0.979 105 Y HN 0.146 nan 8.280 nan 0.000 0.521 106 A N 0.095 123.004 122.820 0.148 0.000 1.873 106 A HA -0.197 4.123 4.320 0.000 0.000 0.215 106 A C 2.159 179.784 177.584 0.068 0.000 1.186 106 A CA 1.789 53.883 52.037 0.094 0.000 0.616 106 A CB -0.509 18.544 19.000 0.088 0.000 0.823 106 A HN 0.407 nan 8.150 nan 0.000 0.442 107 K N -0.087 120.348 120.400 0.058 0.000 2.147 107 K HA -0.039 4.282 4.320 0.000 0.000 0.205 107 K C 2.236 178.855 176.600 0.032 0.000 1.049 107 K CA 0.955 57.268 56.287 0.044 0.000 0.936 107 K CB -0.339 32.185 32.500 0.040 0.000 0.722 107 K HN 0.449 nan 8.250 nan 0.000 0.446 108 A N 1.838 124.662 122.820 0.006 0.000 1.883 108 A HA -0.216 4.104 4.320 0.000 0.000 0.217 108 A C 2.435 180.032 177.584 0.022 0.000 1.186 108 A CA 2.075 54.103 52.037 -0.015 0.000 0.624 108 A CB -0.909 18.042 19.000 -0.082 0.000 0.822 108 A HN 0.341 nan 8.150 nan 0.000 0.444 109 A N -0.586 122.255 122.820 0.035 0.000 1.892 109 A HA -0.100 4.221 4.320 0.000 0.000 0.218 109 A C 2.258 179.880 177.584 0.064 0.000 1.188 109 A CA 2.160 54.230 52.037 0.055 0.000 0.631 109 A CB -1.145 17.893 19.000 0.062 0.000 0.822 109 A HN 0.512 nan 8.150 nan 0.000 0.447 110 V N 0.813 120.761 119.914 0.058 0.000 2.343 110 V HA -0.268 3.853 4.120 0.000 0.000 0.247 110 V C 2.472 178.605 176.094 0.065 0.000 1.051 110 V CA 2.324 64.655 62.300 0.052 0.000 1.036 110 V CB -0.785 31.065 31.823 0.045 0.000 0.654 110 V HN 0.738 nan 8.190 nan 0.000 0.451 111 D N 0.376 120.827 120.400 0.085 0.000 2.084 111 D HA -0.150 4.490 4.640 0.000 0.000 0.194 111 D C 2.111 178.557 176.300 0.243 0.000 0.990 111 D CA 1.802 55.895 54.000 0.154 0.000 0.826 111 D CB 0.043 40.926 40.800 0.138 0.000 0.971 111 D HN 0.293 nan 8.370 nan 0.000 0.453 112 V N 1.823 121.830 119.914 0.155 0.000 2.343 112 V HA -0.105 4.016 4.120 0.000 0.000 0.247 112 V C 1.839 178.029 176.094 0.159 0.000 1.051 112 V CA 1.163 63.555 62.300 0.153 0.000 1.036 112 V CB -0.997 30.875 31.823 0.082 0.000 0.654 112 V HN 0.359 nan 8.190 nan 0.000 0.451 116 D N 1.753 122.288 120.400 0.224 0.000 2.116 116 D HA -0.070 4.570 4.640 0.000 0.000 0.193 116 D C 2.067 178.426 176.300 0.099 0.000 0.998 116 D CA 1.925 56.007 54.000 0.136 0.000 0.836 116 D CB -0.038 40.826 40.800 0.107 0.000 0.951 116 D HN 0.393 nan 8.370 nan 0.000 0.449 117 A N -0.471 122.389 122.820 0.066 0.000 1.898 117 A HA -0.128 4.193 4.320 0.000 0.000 0.216 117 A C 2.184 179.857 177.584 0.148 0.000 1.181 117 A CA 1.419 53.480 52.037 0.040 0.000 0.620 117 A CB -1.296 17.683 19.000 -0.034 0.000 0.819 117 A HN 0.513 nan 8.150 nan 0.000 0.442 118 W N 0.802 122.076 121.300 -0.043 0.000 2.355 118 W HA -0.094 4.566 4.660 0.000 0.000 0.309 118 W C 2.546 179.056 176.519 -0.014 0.000 1.206 118 W CA 1.447 58.767 57.345 -0.041 0.000 1.284 118 W CB -0.793 28.622 29.460 -0.075 0.000 1.145 118 W HN 0.377 nan 8.180 nan 0.000 0.502 119 A N 0.671 123.570 122.820 0.132 0.000 1.883 119 A HA -0.225 4.095 4.320 0.000 0.000 0.217 119 A C 2.126 179.712 177.584 0.004 0.000 1.186 119 A CA 2.120 54.148 52.037 -0.015 0.000 0.624 119 A CB -0.881 18.136 19.000 0.027 0.000 0.822 119 A HN 0.361 nan 8.150 nan 0.000 0.444 120 R N -0.293 120.235 120.500 0.046 0.000 2.105 120 R HA -0.083 4.257 4.340 0.000 0.000 0.239 120 R C 2.466 178.787 176.300 0.035 0.000 1.135 120 R CA 1.516 57.637 56.100 0.035 0.000 0.967 120 R CB -0.332 29.991 30.300 0.039 0.000 0.861 120 R HN 0.524 nan 8.270 nan 0.000 0.442 121 S N 0.873 116.612 115.700 0.064 0.000 2.402 121 S HA -0.013 4.457 4.470 0.000 0.000 0.229 121 S C 1.743 176.369 174.600 0.044 0.000 1.021 121 S CA 0.865 59.108 58.200 0.071 0.000 0.974 121 S CB 0.018 63.297 63.200 0.132 0.000 0.800 121 S HN 0.249 nan 8.310 nan 0.000 0.484 122 L N 1.090 122.317 121.223 0.007 0.000 2.558 122 L HA 0.209 4.549 4.340 0.000 0.000 0.225 122 L C 0.587 177.433 176.870 -0.039 0.000 1.128 122 L CA 0.049 54.866 54.840 -0.040 0.000 0.868 122 L CB -0.605 41.370 42.059 -0.141 0.000 1.006 122 L HN 0.292 nan 8.230 nan 0.000 0.454 123 N N 0.415 119.101 118.700 -0.024 0.000 2.783 123 N HA -0.158 4.582 4.740 0.000 0.000 0.247 123 N C -0.741 174.750 175.510 -0.033 0.000 1.089 123 N CA 0.824 53.863 53.050 -0.019 0.000 0.690 123 N CB -1.052 37.428 38.487 -0.012 0.000 0.991 123 N HN 0.257 nan 8.380 nan 0.000 0.552 124 V N -3.716 116.170 119.914 -0.046 0.000 3.078 124 V HA 0.910 5.031 4.120 0.000 0.000 0.311 124 V C -2.548 173.523 176.094 -0.040 0.000 1.138 124 V CA -2.137 60.131 62.300 -0.053 0.000 1.007 124 V CB 2.278 34.050 31.823 -0.086 0.000 1.045 124 V HN -0.060 nan 8.190 nan 0.000 0.432 125 P HA 0.291 nan 4.420 nan 0.000 0.272 125 P C 1.037 178.329 177.300 -0.014 0.000 1.223 125 P CA -0.079 63.012 63.100 -0.015 0.000 0.784 125 P CB 1.024 32.714 31.700 -0.017 0.000 0.923 126 V N 2.887 122.810 119.914 0.016 0.000 2.380 126 V HA -0.299 3.821 4.120 0.000 0.000 0.251 126 V C 2.426 178.526 176.094 0.009 0.000 1.063 126 V CA 2.356 64.680 62.300 0.040 0.000 1.055 126 V CB -1.206 30.658 31.823 0.068 0.000 0.657 126 V HN 0.670 nan 8.190 nan 0.000 0.455 127 R N 0.334 120.827 120.500 -0.013 0.000 2.170 127 R HA -0.210 4.130 4.340 0.000 0.000 0.242 127 R C 1.511 177.781 176.300 -0.051 0.000 1.145 127 R CA 2.061 58.138 56.100 -0.038 0.000 0.984 127 R CB -0.766 29.507 30.300 -0.046 0.000 0.869 127 R HN 0.384 nan 8.270 nan 0.000 0.455 128 D N 0.856 121.224 120.400 -0.055 0.000 2.350 128 D HA -0.016 4.624 4.640 0.000 0.000 0.216 128 D C 1.518 177.760 176.300 -0.098 0.000 0.968 128 D CA 0.801 54.756 54.000 -0.076 0.000 0.894 128 D CB 0.118 40.867 40.800 -0.084 0.000 0.909 128 D HN 0.317 nan 8.370 nan 0.000 0.520 129 L N -0.465 120.709 121.223 -0.082 0.000 2.585 129 L HA 0.187 4.527 4.340 0.000 0.000 0.226 129 L C 1.142 178.017 176.870 0.008 0.000 1.113 129 L CA 0.174 54.962 54.840 -0.088 0.000 0.876 129 L CB 0.408 42.433 42.059 -0.056 0.000 1.072 129 L HN -0.055 nan 8.230 nan 0.000 0.468 130 L N -0.588 120.626 121.223 -0.015 0.000 2.965 130 L HA 0.414 4.754 4.340 0.000 0.000 0.254 130 L C 1.113 177.945 176.870 -0.064 0.000 1.220 130 L CA 0.269 55.094 54.840 -0.025 0.000 1.023 130 L CB 0.409 42.435 42.059 -0.054 0.000 1.355 130 L HN 0.305 nan 8.230 nan 0.000 0.545 131 G N -0.717 108.050 108.800 -0.056 0.000 2.201 131 G HA2 -0.047 3.913 3.960 0.000 0.000 0.212 131 G HA3 -0.047 3.913 3.960 0.000 0.000 0.212 131 G C 0.585 175.446 174.900 -0.065 0.000 0.994 131 G CA -0.223 44.840 45.100 -0.061 0.000 0.644 131 G HN 0.871 nan 8.290 nan 0.000 0.508 132 G N -1.689 107.069 108.800 -0.069 0.000 2.582 132 G HA2 0.459 4.419 3.960 0.000 0.000 0.222 132 G HA3 0.459 4.419 3.960 0.000 0.000 0.222 132 G C 0.130 174.989 174.900 -0.069 0.000 1.311 132 G CA 0.768 45.830 45.100 -0.063 0.000 0.915 132 G HN 2.349 nan 8.290 nan 0.000 0.528 133 T N -2.252 112.267 114.554 -0.058 0.000 2.859 133 T HA 0.694 5.044 4.350 0.000 0.000 0.281 133 T C 0.820 175.486 174.700 -0.056 0.000 1.005 133 T CA 0.407 62.472 62.100 -0.058 0.000 1.025 133 T CB 1.835 70.676 68.868 -0.046 0.000 0.977 133 T HN 1.388 nan 8.240 nan 0.000 0.458 134 V N 2.445 122.322 119.914 -0.062 0.000 3.484 134 V HA 0.348 4.468 4.120 0.000 0.000 0.252 134 V C 0.780 176.848 176.094 -0.043 0.000 1.282 134 V CA 0.377 62.644 62.300 -0.054 0.000 1.104 134 V CB -0.329 31.453 31.823 -0.068 0.000 0.868 134 V HN 1.018 nan 8.190 nan 0.000 0.457 135 R N 0.427 120.900 120.500 -0.044 0.000 2.680 135 R HA 0.494 4.834 4.340 0.000 0.000 0.269 135 R C -1.281 175.000 176.300 -0.033 0.000 1.026 135 R CA -0.203 55.877 56.100 -0.034 0.000 0.889 135 R CB 1.215 31.496 30.300 -0.031 0.000 1.241 135 R HN 0.139 nan 8.270 nan 0.000 0.463 136 D N 0.263 120.647 120.400 -0.026 0.000 2.469 136 D HA 0.150 4.790 4.640 0.000 0.000 0.215 136 D C -0.478 175.808 176.300 -0.023 0.000 1.154 136 D CA -0.287 53.698 54.000 -0.024 0.000 0.832 136 D CB 0.385 41.172 40.800 -0.021 0.000 1.008 136 D HN 0.627 nan 8.370 nan 0.000 0.506 137 K N -0.584 119.802 120.400 -0.023 0.000 2.575 137 K HA 0.634 4.955 4.320 0.000 0.000 0.279 137 K C -1.363 175.224 176.600 -0.022 0.000 0.969 137 K CA -1.135 55.138 56.287 -0.024 0.000 0.868 137 K CB 2.287 34.777 32.500 -0.016 0.000 1.457 137 K HN -0.010 nan 8.250 nan 0.000 0.426 138 V N -2.101 117.799 119.914 -0.022 0.000 3.049 138 V HA 0.495 4.615 4.120 0.000 0.000 0.309 138 V C -1.184 174.909 176.094 -0.002 0.000 1.148 138 V CA -1.027 61.264 62.300 -0.015 0.000 0.990 138 V CB 1.859 33.668 31.823 -0.024 0.000 1.039 138 V HN 0.835 nan 8.190 nan 0.000 0.430 139 D N 1.416 121.816 120.400 -0.001 0.000 2.372 139 D HA 0.536 5.176 4.640 0.000 0.000 0.243 139 D C -0.418 175.896 176.300 0.024 0.000 1.121 139 D CA 0.201 54.205 54.000 0.006 0.000 0.898 139 D CB 2.034 42.822 40.800 -0.020 0.000 1.202 139 D HN 0.524 nan 8.370 nan 0.000 0.428 140 V N 1.641 121.588 119.914 0.054 0.000 2.588 140 V HA 0.270 4.390 4.120 0.000 0.000 0.304 140 V C 0.147 176.290 176.094 0.082 0.000 1.042 140 V CA -0.619 61.748 62.300 0.112 0.000 0.877 140 V CB 2.237 34.193 31.823 0.222 0.000 0.996 140 V HN 0.491 nan 8.190 nan 0.000 0.425 141 T N 4.850 119.486 114.554 0.137 0.000 2.795 141 T HA 0.283 4.633 4.350 0.000 0.000 0.282 141 T C -0.632 174.176 174.700 0.180 0.000 0.980 141 T CA -0.178 61.970 62.100 0.079 0.000 1.012 141 T CB 0.791 69.733 68.868 0.123 0.000 0.936 141 T HN 0.692 nan 8.240 nan 0.000 0.457 142 W N 3.744 124.915 121.300 -0.215 0.000 2.361 142 W HA 0.607 5.268 4.660 0.000 0.000 0.309 142 W C -0.656 175.757 176.519 -0.176 0.000 1.122 142 W CA -1.168 55.978 57.345 -0.332 0.000 1.208 142 W CB 0.572 29.877 29.460 -0.258 0.000 1.246 142 W HN 0.669 nan 8.180 nan 0.000 0.490 143 A N 6.580 128.750 122.820 -1.083 0.000 2.290 143 A HA 0.597 4.917 4.320 0.000 0.000 0.310 143 A C -1.389 175.713 177.584 -0.803 0.000 1.202 143 A CA -0.645 51.043 52.037 -0.580 0.000 0.837 143 A CB 0.940 19.879 19.000 -0.100 0.000 1.139 143 A HN 0.591 nan 8.150 nan 0.000 0.509 144 L N 2.924 123.948 121.223 -0.333 0.000 2.272 144 L HA 0.509 4.849 4.340 0.000 0.000 0.289 144 L C 1.202 177.920 176.870 -0.255 0.000 1.032 144 L CA 0.392 55.099 54.840 -0.222 0.000 0.810 144 L CB 1.281 43.316 42.059 -0.041 0.000 1.205 144 L HN 0.865 nan 8.230 nan 0.000 0.422 145 G N 1.914 110.485 108.800 -0.382 0.000 2.688 145 G HA2 0.237 4.198 3.960 0.000 0.000 0.264 145 G HA3 0.237 4.198 3.960 0.000 0.000 0.264 145 G C -0.290 174.410 174.900 -0.333 0.000 1.267 145 G CA -0.536 44.209 45.100 -0.591 0.000 0.960 145 G HN 0.446 nan 8.290 nan 0.000 0.538 146 V N 0.607 120.325 119.914 -0.328 0.000 2.450 146 V HA 0.473 4.593 4.120 0.000 0.000 0.281 146 V C -0.054 175.950 176.094 -0.151 0.000 1.019 146 V CA 0.332 62.514 62.300 -0.196 0.000 1.062 146 V CB -0.814 30.905 31.823 -0.173 0.000 0.979 146 V HN 0.441 nan 8.190 nan 0.000 0.477 147 L N 6.336 127.496 121.223 -0.104 0.000 2.341 147 L HA 0.637 4.978 4.340 0.000 0.000 0.254 147 L C -2.354 174.485 176.870 -0.052 0.000 1.040 147 L CA -2.148 52.648 54.840 -0.073 0.000 0.837 147 L CB 2.220 44.242 42.059 -0.060 0.000 1.425 147 L HN 0.362 nan 8.230 nan 0.000 0.414 148 P HA 0.016 nan 4.420 nan 0.000 0.271 148 P C 0.350 177.634 177.300 -0.027 0.000 1.244 148 P CA -0.463 62.619 63.100 -0.030 0.000 0.793 148 P CB 0.519 32.204 31.700 -0.025 0.000 0.984 149 L N 0.620 121.831 121.223 -0.021 0.000 2.642 149 L HA -0.103 4.238 4.340 0.000 0.000 0.236 149 L C 0.519 177.377 176.870 -0.020 0.000 1.169 149 L CA 2.054 56.883 54.840 -0.018 0.000 0.851 149 L CB -0.930 41.123 42.059 -0.011 0.000 0.968 149 L HN 0.241 nan 8.230 nan 0.000 0.453 150 D N -2.616 117.770 120.400 -0.022 0.000 2.531 150 D HA 0.057 4.697 4.640 0.000 0.000 0.263 150 D C 2.059 178.342 176.300 -0.027 0.000 1.057 150 D CA 0.641 54.627 54.000 -0.023 0.000 0.909 150 D CB 0.338 41.127 40.800 -0.018 0.000 1.236 150 D HN 0.051 nan 8.370 nan 0.000 0.494 151 V N 1.268 121.167 119.914 -0.025 0.000 2.469 151 V HA -0.208 3.912 4.120 0.000 0.000 0.251 151 V C 2.350 178.427 176.094 -0.028 0.000 1.064 151 V CA 1.956 64.243 62.300 -0.022 0.000 1.066 151 V CB -0.737 31.075 31.823 -0.019 0.000 0.667 151 V HN 0.239 nan 8.190 nan 0.000 0.461 152 A N 0.042 122.840 122.820 -0.036 0.000 1.874 152 A HA -0.090 4.230 4.320 0.000 0.000 0.214 152 A C 2.310 179.844 177.584 -0.083 0.000 1.189 152 A CA 1.626 53.633 52.037 -0.050 0.000 0.615 152 A CB -0.643 18.328 19.000 -0.048 0.000 0.830 152 A HN 0.334 nan 8.150 nan 0.000 0.443 153 V N 0.094 119.965 119.914 -0.071 0.000 2.568 153 V HA -0.241 3.879 4.120 0.000 0.000 0.253 153 V C 2.808 178.847 176.094 -0.092 0.000 1.072 153 V CA 1.863 64.113 62.300 -0.083 0.000 1.084 153 V CB -1.314 30.477 31.823 -0.053 0.000 0.676 153 V HN 0.609 nan 8.190 nan 0.000 0.469 154 A N -0.295 122.482 122.820 -0.072 0.000 1.861 154 A HA -0.130 4.191 4.320 0.000 0.000 0.212 154 A C 2.274 179.810 177.584 -0.080 0.000 1.199 154 A CA 1.218 53.217 52.037 -0.064 0.000 0.613 154 A CB -0.457 18.518 19.000 -0.041 0.000 0.846 154 A HN 0.503 nan 8.150 nan 0.000 0.446 155 E N -0.017 120.141 120.200 -0.070 0.000 2.130 155 E HA -0.211 4.139 4.350 0.000 0.000 0.196 155 E C 1.810 178.320 176.600 -0.149 0.000 0.998 155 E CA 1.480 57.843 56.400 -0.062 0.000 0.806 155 E CB -0.247 29.464 29.700 0.019 0.000 0.738 155 E HN 0.677 nan 8.360 nan 0.000 0.459 156 I N 0.995 121.400 120.570 -0.275 0.000 2.179 156 I HA -0.249 3.922 4.170 0.000 0.000 0.242 156 I C 2.376 178.307 176.117 -0.310 0.000 1.088 156 I CA 0.973 61.919 61.300 -0.591 0.000 1.357 156 I CB -0.320 37.247 38.000 -0.720 0.000 1.051 156 I HN 0.102 nan 8.210 nan 0.000 0.409 157 E N 0.642 120.735 120.200 -0.177 0.000 2.085 157 E HA -0.281 4.069 4.350 0.000 0.000 0.194 157 E C 1.973 178.540 176.600 -0.055 0.000 0.994 157 E CA 1.316 57.664 56.400 -0.086 0.000 0.801 157 E CB -0.253 29.407 29.700 -0.067 0.000 0.743 157 E HN 0.561 nan 8.360 nan 0.000 0.453 158 E N 0.419 120.578 120.200 -0.069 0.000 2.047 158 E HA -0.152 4.199 4.350 0.000 0.000 0.191 158 E C 2.139 178.716 176.600 -0.038 0.000 0.987 158 E CA 0.570 56.937 56.400 -0.056 0.000 0.799 158 E CB 0.207 29.872 29.700 -0.059 0.000 0.752 158 E HN -0.027 nan 8.360 nan 0.000 0.449 159 R N 0.498 120.978 120.500 -0.034 0.000 2.083 159 R HA -0.154 4.186 4.340 0.000 0.000 0.237 159 R C 2.421 178.809 176.300 0.146 0.000 1.137 159 R CA 1.215 57.336 56.100 0.036 0.000 0.951 159 R CB -0.883 29.451 30.300 0.057 0.000 0.851 159 R HN 0.389 nan 8.270 nan 0.000 0.434 160 I N 0.883 121.570 120.570 0.196 0.000 2.163 160 I HA -0.247 3.924 4.170 0.000 0.000 0.243 160 I C 2.426 178.578 176.117 0.059 0.000 1.085 160 I CA 1.243 62.646 61.300 0.171 0.000 1.347 160 I CB -0.339 37.762 38.000 0.169 0.000 1.044 160 I HN 0.100 nan 8.210 nan 0.000 0.408 161 E N 0.705 120.912 120.200 0.011 0.000 2.031 161 E HA -0.262 4.088 4.350 0.000 0.000 0.193 161 E C 2.046 178.585 176.600 -0.102 0.000 0.994 161 E CA 1.510 57.887 56.400 -0.039 0.000 0.800 161 E CB -0.160 29.510 29.700 -0.050 0.000 0.752 161 E HN 0.533 nan 8.360 nan 0.000 0.447 162 E N -1.232 118.869 120.200 -0.166 0.000 2.076 162 E HA -0.078 4.273 4.350 0.000 0.000 0.190 162 E C 1.416 177.649 176.600 -0.610 0.000 0.979 162 E CA 0.640 56.792 56.400 -0.414 0.000 0.807 162 E CB 0.089 29.476 29.700 -0.522 0.000 0.761 162 E HN 0.123 nan 8.360 nan 0.000 0.454 163 F N -1.212 118.690 119.950 -0.080 0.000 2.727 163 F HA 0.358 4.886 4.527 0.000 0.000 0.302 163 F C 1.408 177.194 175.800 -0.024 0.000 1.107 163 F CA 0.467 58.431 58.000 -0.060 0.000 1.277 163 F CB 1.312 40.227 39.000 -0.142 0.000 1.079 163 F HN 0.175 nan 8.300 nan 0.000 0.594 164 G N 1.126 109.996 108.800 0.118 0.000 2.143 164 G HA2 -0.333 3.628 3.960 0.000 0.000 0.248 164 G HA3 -0.333 3.628 3.960 0.000 0.000 0.248 164 G C -0.130 174.805 174.900 0.058 0.000 0.991 164 G CA -0.018 45.131 45.100 0.082 0.000 0.689 164 G HN 0.392 nan 8.290 nan 0.000 0.522 165 N N -0.264 118.455 118.700 0.031 0.000 2.412 165 N HA 0.383 5.123 4.740 0.000 0.000 0.254 165 N C 1.477 176.854 175.510 -0.221 0.000 1.232 165 N CA 0.405 53.363 53.050 -0.154 0.000 0.880 165 N CB 0.336 38.600 38.487 -0.372 0.000 1.076 165 N HN 0.457 nan 8.380 nan 0.000 0.458 166 R N 0.044 120.418 120.500 -0.209 0.000 2.335 166 R HA 0.123 4.463 4.340 0.000 0.000 0.210 166 R C -0.204 175.994 176.300 -0.169 0.000 0.892 166 R CA 0.120 56.151 56.100 -0.115 0.000 1.048 166 R CB 0.233 30.508 30.300 -0.043 0.000 1.067 166 R HN 0.606 nan 8.270 nan 0.000 0.524 167 S N 0.065 115.549 115.700 -0.359 0.000 2.538 167 S HA 0.639 5.110 4.470 0.000 0.000 0.288 167 S C -0.815 173.488 174.600 -0.494 0.000 1.108 167 S CA -0.826 57.219 58.200 -0.258 0.000 0.971 167 S CB 1.370 64.477 63.200 -0.155 0.000 1.041 167 S HN 0.003 nan 8.310 nan 0.000 0.483 168 F N 1.264 121.260 119.950 0.078 0.000 2.540 168 F HA 0.604 5.131 4.527 0.000 0.000 0.317 168 F C 0.160 175.992 175.800 0.053 0.000 1.104 168 F CA -0.709 57.346 58.000 0.091 0.000 0.913 168 F CB 2.300 41.363 39.000 0.105 0.000 1.170 168 F HN 0.685 nan 8.300 nan 0.000 0.450 169 K N 4.708 125.222 120.400 0.190 0.000 2.307 169 K HA 0.628 4.948 4.320 0.000 0.000 0.263 169 K C -1.712 174.928 176.600 0.065 0.000 0.973 169 K CA -0.436 55.919 56.287 0.113 0.000 0.846 169 K CB 0.901 33.462 32.500 0.101 0.000 1.100 169 K HN 0.734 nan 8.250 nan 0.000 0.438 170 L N 5.105 126.363 121.223 0.058 0.000 2.272 170 L HA 0.391 4.731 4.340 0.000 0.000 0.289 170 L C 0.287 177.143 176.870 -0.023 0.000 1.032 170 L CA -0.808 54.035 54.840 0.005 0.000 0.810 170 L CB 1.275 43.343 42.059 0.015 0.000 1.205 170 L HN 0.595 nan 8.230 nan 0.000 0.422 174 A N 0.918 123.742 122.820 0.007 0.000 2.320 174 A HA 0.750 5.070 4.320 0.000 0.000 0.287 174 A C 1.228 178.818 177.584 0.011 0.000 1.181 174 A CA 0.930 52.962 52.037 -0.008 0.000 0.831 174 A CB -0.107 18.863 19.000 -0.050 0.000 1.102 174 A HN 2.153 nan 8.150 nan 0.000 0.513 175 G N 2.107 110.911 108.800 0.007 0.000 2.698 175 G HA2 -0.114 3.847 3.960 0.000 0.000 0.233 175 G HA3 -0.114 3.847 3.960 0.000 0.000 0.233 175 G C -0.187 174.705 174.900 -0.014 0.000 1.352 175 G CA 0.140 45.235 45.100 -0.008 0.000 0.879 175 G HN 1.341 nan 8.290 nan 0.000 0.567 176 D N 0.930 121.299 120.400 -0.053 0.000 2.520 176 D HA 0.319 4.959 4.640 0.000 0.000 0.243 176 D C -0.373 175.831 176.300 -0.161 0.000 1.160 176 D CA -0.271 53.661 54.000 -0.112 0.000 0.877 176 D CB 0.821 41.558 40.800 -0.104 0.000 1.150 176 D HN 0.111 nan 8.370 nan 0.000 0.494 177 P HA -0.184 nan 4.420 nan 0.000 0.215 177 P C 0.948 177.829 177.300 -0.698 0.000 1.153 177 P CA 1.722 64.498 63.100 -0.541 0.000 0.853 177 P CB 0.073 31.066 31.700 -1.180 0.000 0.788 178 A N 0.076 122.430 122.820 -0.777 0.000 1.865 178 A HA -0.272 4.048 4.320 0.000 0.000 0.217 178 A C 2.154 179.613 177.584 -0.207 0.000 1.191 178 A CA 1.964 53.681 52.037 -0.533 0.000 0.623 178 A CB -1.329 17.547 19.000 -0.206 0.000 0.826 178 A HN 0.196 nan 8.150 nan 0.000 0.444 179 E N -0.645 119.470 120.200 -0.141 0.000 2.051 179 E HA -0.211 4.139 4.350 0.000 0.000 0.192 179 E C 1.756 178.333 176.600 -0.037 0.000 0.991 179 E CA 1.027 57.389 56.400 -0.063 0.000 0.799 179 E CB -0.231 29.438 29.700 -0.052 0.000 0.748 179 E HN 0.544 nan 8.360 nan 0.000 0.449 180 D N 0.144 120.524 120.400 -0.033 0.000 2.116 180 D HA -0.139 4.502 4.640 0.000 0.000 0.193 180 D C 1.946 178.276 176.300 0.050 0.000 0.998 180 D CA 1.446 55.463 54.000 0.029 0.000 0.836 180 D CB -0.138 40.736 40.800 0.123 0.000 0.951 180 D HN 0.071 nan 8.370 nan 0.000 0.449 181 T N 0.052 114.634 114.554 0.047 0.000 2.708 181 T HA -0.164 4.186 4.350 0.000 0.000 0.266 181 T C 2.044 176.792 174.700 0.080 0.000 1.037 181 T CA 1.292 63.453 62.100 0.101 0.000 1.146 181 T CB -0.097 68.832 68.868 0.102 0.000 0.865 181 T HN 0.072 nan 8.240 nan 0.000 0.435 182 R N 0.901 121.428 120.500 0.045 0.000 2.080 182 R HA -0.050 4.290 4.340 0.000 0.000 0.236 182 R C 2.553 178.875 176.300 0.037 0.000 1.137 182 R CA 1.596 57.723 56.100 0.045 0.000 0.943 182 R CB -0.261 30.054 30.300 0.025 0.000 0.846 182 R HN 0.276 nan 8.270 nan 0.000 0.431 183 R N -0.344 120.170 120.500 0.022 0.000 2.122 183 R HA -0.191 4.149 4.340 0.000 0.000 0.236 183 R C 1.990 178.303 176.300 0.022 0.000 1.129 183 R CA 2.476 58.584 56.100 0.014 0.000 0.925 183 R CB -0.614 29.687 30.300 0.002 0.000 0.850 183 R HN 0.171 nan 8.270 nan 0.000 0.431 184 V N 1.020 120.953 119.914 0.033 0.000 2.343 184 V HA -0.241 3.879 4.120 0.000 0.000 0.247 184 V C 2.532 178.662 176.094 0.060 0.000 1.051 184 V CA 1.895 64.222 62.300 0.044 0.000 1.036 184 V CB -0.936 30.920 31.823 0.054 0.000 0.654 184 V HN 0.617 nan 8.190 nan 0.000 0.451 185 A N -0.207 122.657 122.820 0.073 0.000 1.883 185 A HA -0.279 4.041 4.320 0.000 0.000 0.217 185 A C 2.205 179.823 177.584 0.058 0.000 1.186 185 A CA 2.141 54.226 52.037 0.080 0.000 0.624 185 A CB -0.477 18.577 19.000 0.089 0.000 0.822 185 A HN 0.645 nan 8.150 nan 0.000 0.444 186 E N -0.610 119.616 120.200 0.043 0.000 2.047 186 E HA -0.138 4.212 4.350 0.000 0.000 0.191 186 E C 2.070 178.684 176.600 0.024 0.000 0.987 186 E CA 1.037 57.455 56.400 0.030 0.000 0.799 186 E CB -0.310 29.403 29.700 0.021 0.000 0.752 186 E HN 0.631 nan 8.360 nan 0.000 0.449 187 L N 0.800 122.034 121.223 0.019 0.000 2.079 187 L HA -0.211 4.129 4.340 0.000 0.000 0.210 187 L C 2.348 179.230 176.870 0.019 0.000 1.081 187 L CA 1.397 56.241 54.840 0.008 0.000 0.752 187 L CB -0.198 41.862 42.059 0.001 0.000 0.896 187 L HN 0.094 nan 8.230 nan 0.000 0.433 188 A N -0.127 122.717 122.820 0.039 0.000 1.969 188 A HA -0.163 4.157 4.320 0.000 0.000 0.218 188 A C 2.235 179.846 177.584 0.045 0.000 1.169 188 A CA 1.288 53.356 52.037 0.052 0.000 0.635 188 A CB -0.430 18.613 19.000 0.073 0.000 0.810 188 A HN 0.496 nan 8.150 nan 0.000 0.445 189 R N -0.400 120.124 120.500 0.039 0.000 2.236 189 R HA 0.006 4.346 4.340 0.000 0.000 0.208 189 R C 1.454 177.769 176.300 0.025 0.000 1.036 189 R CA 1.078 57.199 56.100 0.034 0.000 1.001 189 R CB -0.039 30.281 30.300 0.033 0.000 0.896 189 R HN 0.658 nan 8.270 nan 0.000 0.464 190 E N -0.103 120.107 120.200 0.018 0.000 2.201 190 E HA -0.015 4.335 4.350 0.000 0.000 0.193 190 E C 1.438 178.042 176.600 0.007 0.000 0.957 190 E CA 0.734 57.139 56.400 0.008 0.000 0.858 190 E CB 0.614 30.313 29.700 -0.002 0.000 0.816 190 E HN 0.072 nan 8.360 nan 0.000 0.475 191 V N -0.291 119.629 119.914 0.010 0.000 3.570 191 V HA 0.132 4.252 4.120 0.000 0.000 0.257 191 V C 2.123 178.244 176.094 0.045 0.000 1.272 191 V CA 0.788 63.097 62.300 0.015 0.000 1.079 191 V CB 0.376 32.189 31.823 -0.015 0.000 0.829 191 V HN 0.268 nan 8.190 nan 0.000 0.454 192 G N 0.854 109.683 108.800 0.049 0.000 2.517 192 G HA2 -0.279 3.681 3.960 0.000 0.000 0.222 192 G HA3 -0.279 3.681 3.960 0.000 0.000 0.222 192 G C 1.103 176.036 174.900 0.056 0.000 1.109 192 G CA 1.424 46.560 45.100 0.060 0.000 0.746 192 G HN 0.520 nan 8.290 nan 0.000 0.576 193 D N 0.475 120.902 120.400 0.045 0.000 2.097 193 D HA -0.069 4.571 4.640 0.000 0.000 0.195 193 D C 2.689 179.017 176.300 0.047 0.000 0.989 193 D CA 0.857 54.881 54.000 0.041 0.000 0.827 193 D CB -0.152 40.667 40.800 0.032 0.000 0.966 193 D HN 0.335 nan 8.370 nan 0.000 0.456 194 R N 0.463 120.996 120.500 0.055 0.000 2.066 194 R HA 0.048 4.388 4.340 0.000 0.000 0.224 194 R C 1.218 177.572 176.300 0.091 0.000 1.122 194 R CA 0.548 56.687 56.100 0.066 0.000 0.974 194 R CB 0.073 30.412 30.300 0.065 0.000 0.871 194 R HN 0.164 nan 8.270 nan 0.000 0.435 195 V N -2.475 117.515 119.914 0.127 0.000 3.177 195 V HA 0.443 4.564 4.120 0.000 0.000 0.319 195 V C -0.153 176.024 176.094 0.139 0.000 1.125 195 V CA -1.131 61.269 62.300 0.166 0.000 1.029 195 V CB 1.858 33.887 31.823 0.343 0.000 1.119 195 V HN -0.001 nan 8.190 nan 0.000 0.452 196 S N 1.326 117.097 115.700 0.119 0.000 2.430 196 S HA 0.598 5.068 4.470 0.000 0.000 0.289 196 S C -0.571 174.104 174.600 0.124 0.000 1.143 196 S CA -0.567 57.687 58.200 0.090 0.000 1.067 196 S CB -0.791 62.436 63.200 0.045 0.000 0.964 196 S HN 0.619 nan 8.310 nan 0.000 0.485 197 L N 5.313 126.608 121.223 0.119 0.000 2.295 197 L HA 0.655 4.995 4.340 0.000 0.000 0.285 197 L C 0.031 176.963 176.870 0.103 0.000 1.035 197 L CA -0.796 54.125 54.840 0.135 0.000 0.806 197 L CB 1.348 43.482 42.059 0.124 0.000 1.214 197 L HN 0.584 nan 8.230 nan 0.000 0.426 198 R N 2.705 123.273 120.500 0.113 0.000 2.888 198 R HA 0.798 5.138 4.340 0.000 0.000 0.266 198 R C -1.098 175.272 176.300 0.117 0.000 1.020 198 R CA -0.681 55.480 56.100 0.102 0.000 0.963 198 R CB 1.977 32.329 30.300 0.086 0.000 1.197 198 R HN 0.554 nan 8.270 nan 0.000 0.481 199 I N -2.971 117.681 120.570 0.137 0.000 3.042 199 I HA 0.721 4.891 4.170 0.000 0.000 0.310 199 I C -1.272 174.890 176.117 0.074 0.000 1.117 199 I CA -0.666 60.691 61.300 0.094 0.000 1.003 199 I CB 2.659 40.710 38.000 0.086 0.000 1.228 199 I HN 0.317 nan 8.210 nan 0.000 0.443 200 D N 2.934 123.343 120.400 0.015 0.000 2.890 200 D HA 0.454 5.094 4.640 0.000 0.000 0.233 200 D C -0.435 175.827 176.300 -0.064 0.000 1.306 200 D CA -0.333 53.681 54.000 0.023 0.000 0.929 200 D CB 1.809 42.675 40.800 0.109 0.000 1.512 200 D HN 0.697 nan 8.370 nan 0.000 0.568 201 I N 1.971 122.451 120.570 -0.149 0.000 3.941 201 I HA 0.105 4.276 4.170 0.000 0.000 0.335 201 I C 0.650 176.703 176.117 -0.107 0.000 1.402 201 I CA -0.368 60.767 61.300 -0.274 0.000 1.112 201 I CB -0.231 37.377 38.000 -0.654 0.000 1.043 201 I HN 0.346 nan 8.210 nan 0.000 0.395 202 N N 2.307 121.013 118.700 0.010 0.000 2.701 202 N HA -0.285 4.455 4.740 0.000 0.000 0.250 202 N C 0.925 176.423 175.510 -0.019 0.000 1.046 202 N CA 0.939 54.023 53.050 0.057 0.000 0.733 202 N CB -0.501 38.123 38.487 0.229 0.000 0.973 202 N HN 0.672 nan 8.380 nan 0.000 0.541 203 A N -1.470 121.328 122.820 -0.037 0.000 2.847 203 A HA -0.269 4.052 4.320 0.000 0.000 0.263 203 A C 1.216 178.817 177.584 0.028 0.000 1.391 203 A CA 1.531 53.557 52.037 -0.017 0.000 0.866 203 A CB -0.810 18.156 19.000 -0.057 0.000 1.057 203 A HN 0.373 nan 8.150 nan 0.000 0.673 204 R N -1.680 118.838 120.500 0.030 0.000 2.391 204 R HA 0.179 4.519 4.340 0.000 0.000 0.249 204 R C -0.558 175.919 176.300 0.294 0.000 0.957 204 R CA 0.004 56.169 56.100 0.109 0.000 1.093 204 R CB -0.282 30.063 30.300 0.076 0.000 1.156 204 R HN 0.628 nan 8.270 nan 0.000 0.526 205 W N 1.357 122.653 121.300 -0.006 0.000 2.666 205 W HA 0.201 4.861 4.660 0.000 0.000 0.334 205 W C 0.051 176.571 176.519 0.001 0.000 1.051 205 W CA -1.990 55.352 57.345 -0.006 0.000 1.224 205 W CB 0.955 30.410 29.460 -0.008 0.000 1.405 205 W HN 0.028 nan 8.180 nan 0.000 0.513 206 D N 0.785 121.287 120.400 0.169 0.000 2.383 206 D HA 0.148 4.788 4.640 0.000 0.000 0.248 206 D C 1.349 177.711 176.300 0.103 0.000 1.170 206 D CA -0.460 53.597 54.000 0.096 0.000 0.977 206 D CB 0.715 41.536 40.800 0.035 0.000 1.120 206 D HN 0.428 nan 8.370 nan 0.000 0.481 207 R N 0.197 120.741 120.500 0.074 0.000 2.112 207 R HA -0.248 4.092 4.340 0.000 0.000 0.242 207 R C 2.182 178.518 176.300 0.060 0.000 1.137 207 R CA 1.633 57.776 56.100 0.070 0.000 0.944 207 R CB -0.173 30.155 30.300 0.047 0.000 0.857 207 R HN 0.577 nan 8.270 nan 0.000 0.435 208 R N -0.387 120.131 120.500 0.031 0.000 2.083 208 R HA -0.125 4.215 4.340 0.000 0.000 0.237 208 R C 2.006 178.310 176.300 0.008 0.000 1.137 208 R CA 2.290 58.398 56.100 0.015 0.000 0.951 208 R CB -0.443 29.853 30.300 -0.006 0.000 0.851 208 R HN 0.325 nan 8.270 nan 0.000 0.434 209 T N 0.669 115.202 114.554 -0.035 0.000 2.684 209 T HA -0.138 4.213 4.350 0.000 0.000 0.267 209 T C 1.815 176.511 174.700 -0.007 0.000 1.036 209 T CA 1.470 63.497 62.100 -0.122 0.000 1.148 209 T CB -0.318 68.319 68.868 -0.384 0.000 0.863 209 T HN 0.469 nan 8.240 nan 0.000 0.436 210 A N 1.214 124.137 122.820 0.173 0.000 1.877 210 A HA 0.017 4.337 4.320 0.000 0.000 0.216 210 A C 2.296 179.987 177.584 0.178 0.000 1.186 210 A CA 1.224 53.478 52.037 0.362 0.000 0.620 210 A CB -0.878 18.313 19.000 0.318 0.000 0.822 210 A HN 0.481 nan 8.150 nan 0.000 0.443 211 L N -1.370 119.914 121.223 0.102 0.000 2.191 211 L HA -0.175 4.166 4.340 0.000 0.000 0.212 211 L C 2.695 179.573 176.870 0.013 0.000 1.103 211 L CA 1.337 56.209 54.840 0.053 0.000 0.769 211 L CB -0.541 41.538 42.059 0.034 0.000 0.908 211 L HN 0.579 nan 8.230 nan 0.000 0.438 212 H N -0.673 118.314 119.070 -0.139 0.000 2.343 212 H HA -0.108 4.448 4.556 0.000 0.000 0.303 212 H C 1.874 176.950 175.328 -0.419 0.000 1.068 212 H CA 1.803 57.651 56.048 -0.332 0.000 1.359 212 H CB 0.210 29.659 29.762 -0.522 0.000 1.402 212 H HN 0.264 nan 8.280 nan 0.000 0.515 213 Y N 0.152 120.551 120.300 0.166 0.000 2.436 213 Y HA 0.078 4.628 4.550 0.000 0.000 0.288 213 Y C 2.775 178.755 175.900 0.133 0.000 1.112 213 Y CA 0.052 58.238 58.100 0.143 0.000 1.220 213 Y CB -0.138 38.337 38.460 0.025 0.000 1.073 213 Y HN 0.017 nan 8.280 nan 0.000 0.552 214 L N 0.366 121.719 121.223 0.216 0.000 2.189 214 L HA -0.176 4.165 4.340 0.000 0.000 0.214 214 L C -0.752 176.184 176.870 0.109 0.000 1.097 214 L CA 1.126 55.940 54.840 -0.043 0.000 0.764 214 L CB -1.567 40.252 42.059 -0.400 0.000 0.900 214 L HN 0.189 nan 8.230 nan 0.000 0.436 215 P HA -0.147 nan 4.420 nan 0.000 0.220 215 P C 1.766 179.154 177.300 0.146 0.000 1.148 215 P CA 1.296 64.476 63.100 0.133 0.000 0.803 215 P CB 0.099 31.828 31.700 0.049 0.000 0.782 216 I N -1.349 119.312 120.570 0.152 0.000 2.202 216 I HA -0.204 3.967 4.170 0.000 0.000 0.242 216 I C 2.204 178.428 176.117 0.178 0.000 1.091 216 I CA 1.341 62.734 61.300 0.156 0.000 1.368 216 I CB -0.677 37.438 38.000 0.192 0.000 1.058 216 I HN -0.099 nan 8.210 nan 0.000 0.410 217 L N 0.607 121.963 121.223 0.222 0.000 2.131 217 L HA -0.175 4.166 4.340 0.000 0.000 0.210 217 L C 2.851 179.905 176.870 0.306 0.000 1.092 217 L CA 1.132 56.128 54.840 0.260 0.000 0.759 217 L CB -0.718 41.517 42.059 0.294 0.000 0.903 217 L HN 0.249 nan 8.230 nan 0.000 0.435 218 A N 0.016 123.058 122.820 0.369 0.000 1.898 218 A HA -0.248 4.072 4.320 0.000 0.000 0.216 218 A C 2.289 179.960 177.584 0.145 0.000 1.181 218 A CA 1.766 53.968 52.037 0.274 0.000 0.620 218 A CB -0.461 18.715 19.000 0.293 0.000 0.819 218 A HN 0.474 nan 8.150 nan 0.000 0.442 219 E N -0.036 120.245 120.200 0.135 0.000 2.106 219 E HA -0.090 4.260 4.350 0.000 0.000 0.192 219 E C 1.992 178.642 176.600 0.084 0.000 0.984 219 E CA 0.935 57.390 56.400 0.091 0.000 0.806 219 E CB -0.244 29.505 29.700 0.081 0.000 0.750 219 E HN 0.512 nan 8.360 nan 0.000 0.458 220 A N 0.093 122.974 122.820 0.102 0.000 2.067 220 A HA 0.063 4.384 4.320 0.000 0.000 0.219 220 A C 1.878 179.509 177.584 0.079 0.000 1.158 220 A CA 1.473 53.563 52.037 0.088 0.000 0.661 220 A CB -0.387 18.674 19.000 0.101 0.000 0.801 220 A HN 0.553 nan 8.150 nan 0.000 0.452 221 G N -2.616 106.234 108.800 0.084 0.000 2.183 221 G HA2 -0.095 3.865 3.960 0.000 0.000 0.168 221 G HA3 -0.095 3.865 3.960 0.000 0.000 0.168 221 G C 0.056 174.991 174.900 0.058 0.000 1.008 221 G CA -0.111 45.026 45.100 0.062 0.000 0.677 221 G HN 0.659 nan 8.290 nan 0.000 0.498 222 V N 1.492 121.459 119.914 0.088 0.000 2.585 222 V HA 0.208 4.328 4.120 0.000 0.000 0.296 222 V C 1.350 177.404 176.094 -0.066 0.000 1.035 222 V CA 1.097 63.441 62.300 0.074 0.000 1.084 222 V CB 1.184 33.136 31.823 0.214 0.000 0.953 222 V HN 0.517 nan 8.190 nan 0.000 0.483 223 E N 4.106 124.262 120.200 -0.073 0.000 2.472 223 E HA 0.255 4.605 4.350 0.000 0.000 0.196 223 E C -0.243 176.219 176.600 -0.229 0.000 1.033 223 E CA -0.041 56.279 56.400 -0.133 0.000 0.886 223 E CB 0.714 30.395 29.700 -0.030 0.000 0.944 223 E HN 0.430 nan 8.360 nan 0.000 0.492 224 L N 0.332 121.405 121.223 -0.249 0.000 2.543 224 L HA 0.344 4.684 4.340 0.000 0.000 0.265 224 L C -1.905 174.908 176.870 -0.094 0.000 0.945 224 L CA -0.645 54.062 54.840 -0.222 0.000 0.869 224 L CB 1.362 43.400 42.059 -0.035 0.000 1.294 224 L HN -0.221 nan 8.230 nan 0.000 0.405 225 F N 3.234 123.194 119.950 0.015 0.000 2.308 225 F HA 0.452 4.979 4.527 0.000 0.000 0.370 225 F C 0.486 176.289 175.800 0.006 0.000 1.100 225 F CA -0.776 57.228 58.000 0.007 0.000 1.108 225 F CB 1.051 40.061 39.000 0.017 0.000 1.293 225 F HN 0.482 nan 8.300 nan 0.000 0.478 226 E N 2.388 122.700 120.200 0.186 0.000 2.229 226 E HA 0.119 4.469 4.350 0.000 0.000 0.283 226 E C 0.007 176.663 176.600 0.093 0.000 1.030 226 E CA -0.645 55.831 56.400 0.127 0.000 0.836 226 E CB 0.639 30.412 29.700 0.122 0.000 1.068 226 E HN 0.519 nan 8.360 nan 0.000 0.401 227 Q N 4.203 124.058 119.800 0.092 0.000 2.386 227 Q HA -0.172 4.168 4.340 0.000 0.000 0.371 227 Q C -1.903 174.102 176.000 0.007 0.000 1.309 227 Q CA 0.621 56.459 55.803 0.059 0.000 1.175 227 Q CB 0.017 28.790 28.738 0.058 0.000 1.352 227 Q HN 0.471 nan 8.270 nan 0.000 0.326 228 P HA -0.034 nan 4.420 nan 0.000 0.231 228 P C -0.006 177.299 177.300 0.007 0.000 1.168 228 P CA 1.032 64.076 63.100 -0.093 0.000 0.779 228 P CB 0.405 32.029 31.700 -0.127 0.000 0.844 229 T N -4.651 109.932 114.554 0.048 0.000 2.888 229 T HA 0.568 4.918 4.350 0.000 0.000 0.288 229 T C -3.133 171.592 174.700 0.043 0.000 1.063 229 T CA -2.892 59.254 62.100 0.076 0.000 1.010 229 T CB 0.852 69.774 68.868 0.090 0.000 1.214 229 T HN -0.308 nan 8.240 nan 0.000 0.533 230 P HA 0.140 nan 4.420 nan 0.000 0.264 230 P C 0.728 178.032 177.300 0.006 0.000 1.173 230 P CA 0.203 63.311 63.100 0.014 0.000 0.761 230 P CB 0.151 31.862 31.700 0.018 0.000 0.794 231 A N 3.776 126.588 122.820 -0.014 0.000 1.908 231 A HA -0.247 4.073 4.320 0.000 0.000 0.218 231 A C 1.693 179.275 177.584 -0.003 0.000 1.181 231 A CA 2.358 54.393 52.037 -0.004 0.000 0.627 231 A CB -1.461 17.525 19.000 -0.022 0.000 0.818 231 A HN 0.704 nan 8.150 nan 0.000 0.445 232 D N -0.897 119.492 120.400 -0.018 0.000 2.269 232 D HA -0.078 4.562 4.640 0.000 0.000 0.208 232 D C 0.499 176.798 176.300 -0.001 0.000 0.963 232 D CA 0.850 54.839 54.000 -0.019 0.000 0.864 232 D CB -0.213 40.571 40.800 -0.028 0.000 0.936 232 D HN 0.243 nan 8.370 nan 0.000 0.505 233 D N 0.254 120.660 120.400 0.010 0.000 2.563 233 D HA 0.092 4.733 4.640 0.000 0.000 0.222 233 D C 1.159 177.476 176.300 0.027 0.000 1.145 233 D CA -0.181 53.830 54.000 0.019 0.000 1.001 233 D CB 0.114 40.929 40.800 0.025 0.000 1.049 233 D HN 0.213 nan 8.370 nan 0.000 0.515 234 L N 1.085 122.322 121.223 0.024 0.000 2.093 234 L HA -0.105 4.235 4.340 0.000 0.000 0.208 234 L C 2.036 178.925 176.870 0.032 0.000 1.085 234 L CA 0.874 55.732 54.840 0.030 0.000 0.755 234 L CB -0.144 41.930 42.059 0.025 0.000 0.904 234 L HN 0.293 nan 8.230 nan 0.000 0.435 235 E N -0.341 119.874 120.200 0.027 0.000 2.153 235 E HA -0.177 4.173 4.350 0.000 0.000 0.194 235 E C 2.091 178.712 176.600 0.035 0.000 0.988 235 E CA 1.623 58.039 56.400 0.027 0.000 0.811 235 E CB -0.052 29.660 29.700 0.021 0.000 0.746 235 E HN 0.403 nan 8.360 nan 0.000 0.466 236 T N 1.213 115.791 114.554 0.039 0.000 2.821 236 T HA -0.069 4.281 4.350 0.000 0.000 0.267 236 T C 1.875 176.612 174.700 0.062 0.000 1.046 236 T CA 0.623 62.752 62.100 0.049 0.000 1.139 236 T CB -0.083 68.816 68.868 0.051 0.000 0.871 236 T HN 0.093 nan 8.240 nan 0.000 0.454 237 L N 0.710 121.971 121.223 0.062 0.000 2.042 237 L HA -0.117 4.223 4.340 0.000 0.000 0.210 237 L C 2.820 179.734 176.870 0.074 0.000 1.076 237 L CA 1.276 56.161 54.840 0.075 0.000 0.749 237 L CB -0.461 41.639 42.059 0.068 0.000 0.893 237 L HN 0.137 nan 8.230 nan 0.000 0.432 238 R N 0.824 121.358 120.500 0.056 0.000 2.066 238 R HA -0.215 4.125 4.340 0.000 0.000 0.232 238 R C 2.098 178.430 176.300 0.053 0.000 1.131 238 R CA 1.767 57.896 56.100 0.048 0.000 0.955 238 R CB -0.439 29.883 30.300 0.035 0.000 0.851 238 R HN 0.236 nan 8.270 nan 0.000 0.432 239 E N 0.509 120.740 120.200 0.051 0.000 2.110 239 E HA -0.141 4.209 4.350 0.000 0.000 0.193 239 E C 1.897 178.537 176.600 0.067 0.000 0.988 239 E CA 1.772 58.201 56.400 0.050 0.000 0.804 239 E CB -0.409 29.316 29.700 0.042 0.000 0.745 239 E HN 0.612 nan 8.360 nan 0.000 0.458 240 I N -1.979 118.644 120.570 0.088 0.000 2.286 240 I HA -0.171 4.000 4.170 0.000 0.000 0.248 240 I C 2.063 178.271 176.117 0.152 0.000 1.115 240 I CA 1.736 63.109 61.300 0.122 0.000 1.392 240 I CB -0.749 37.337 38.000 0.144 0.000 1.065 240 I HN -0.098 nan 8.210 nan 0.000 0.418 241 T N 0.802 115.434 114.554 0.130 0.000 2.788 241 T HA -0.068 4.282 4.350 0.000 0.000 0.268 241 T C 2.023 176.767 174.700 0.073 0.000 1.044 241 T CA 1.403 63.566 62.100 0.104 0.000 1.139 241 T CB -0.262 68.646 68.868 0.066 0.000 0.867 241 T HN 0.387 nan 8.240 nan 0.000 0.454 242 R N 0.624 121.160 120.500 0.060 0.000 2.096 242 R HA 0.043 4.384 4.340 0.000 0.000 0.235 242 R C 2.505 178.832 176.300 0.045 0.000 1.127 242 R CA 1.043 57.169 56.100 0.043 0.000 0.968 242 R CB -0.078 30.242 30.300 0.034 0.000 0.861 242 R HN 0.349 nan 8.270 nan 0.000 0.440 243 R N -0.648 119.887 120.500 0.058 0.000 2.246 243 R HA 0.003 4.344 4.340 0.000 0.000 0.199 243 R C 1.673 178.015 176.300 0.070 0.000 0.984 243 R CA 1.467 57.598 56.100 0.052 0.000 1.015 243 R CB 0.298 30.625 30.300 0.044 0.000 0.930 243 R HN 0.273 nan 8.270 nan 0.000 0.475 244 T N -3.584 111.034 114.554 0.106 0.000 2.975 244 T HA 0.115 4.465 4.350 0.000 0.000 0.261 244 T C 0.584 175.339 174.700 0.092 0.000 0.984 244 T CA -0.374 61.807 62.100 0.135 0.000 0.911 244 T CB 0.244 69.274 68.868 0.270 0.000 1.127 244 T HN 0.007 nan 8.240 nan 0.000 0.514 245 N N 0.692 119.430 118.700 0.064 0.000 2.753 245 N HA -0.131 4.609 4.740 0.000 0.000 0.251 245 N C -0.132 175.367 175.510 -0.017 0.000 1.097 245 N CA 1.000 54.064 53.050 0.023 0.000 0.786 245 N CB -1.717 36.780 38.487 0.016 0.000 1.137 245 N HN 0.695 nan 8.380 nan 0.000 0.566 246 V N -0.576 119.316 119.914 -0.037 0.000 2.483 246 V HA 0.562 4.682 4.120 0.000 0.000 0.295 246 V C 0.635 176.614 176.094 -0.191 0.000 1.035 246 V CA -0.524 61.656 62.300 -0.200 0.000 0.896 246 V CB 1.948 33.477 31.823 -0.490 0.000 0.986 246 V HN 0.194 nan 8.190 nan 0.000 0.447 247 S N 4.101 119.681 115.700 -0.200 0.000 2.563 247 S HA 0.406 4.877 4.470 0.000 0.000 0.284 247 S C -0.027 174.503 174.600 -0.117 0.000 1.331 247 S CA -0.215 57.900 58.200 -0.143 0.000 1.047 247 S CB 1.084 64.185 63.200 -0.166 0.000 0.859 247 S HN 0.782 nan 8.310 nan 0.000 0.514 251 D N 0.062 120.573 120.400 0.185 0.000 3.054 251 D HA 0.078 4.718 4.640 0.000 0.000 0.209 251 D C 1.453 177.945 176.300 0.320 0.000 1.527 251 D CA 0.857 55.008 54.000 0.252 0.000 1.427 251 D CB 0.233 41.203 40.800 0.282 0.000 1.059 251 D HN 0.477 nan 8.370 nan 0.000 0.243 252 E N 0.759 121.090 120.200 0.219 0.000 2.265 252 E HA -0.077 4.274 4.350 0.000 0.000 0.196 252 E C 1.897 178.705 176.600 0.346 0.000 0.996 252 E CA 0.639 57.170 56.400 0.219 0.000 0.832 252 E CB -0.324 29.219 29.700 -0.262 0.000 0.756 252 E HN 0.077 nan 8.360 nan 0.000 0.491 253 S N 0.297 116.125 115.700 0.215 0.000 2.423 253 S HA -0.005 4.465 4.470 0.000 0.000 0.231 253 S C 0.869 175.604 174.600 0.226 0.000 1.014 253 S CA 0.456 58.753 58.200 0.162 0.000 0.965 253 S CB 0.254 63.519 63.200 0.109 0.000 0.785 253 S HN 0.045 nan 8.310 nan 0.000 0.495 254 V N 1.400 121.516 119.914 0.337 0.000 2.349 254 V HA 0.266 4.386 4.120 0.000 0.000 0.284 254 V C -0.520 175.905 176.094 0.552 0.000 1.014 254 V CA -0.575 61.936 62.300 0.352 0.000 0.826 254 V CB 1.029 32.995 31.823 0.238 0.000 1.009 254 V HN 0.482 nan 8.190 nan 0.000 0.431 255 W N 1.979 123.371 121.300 0.154 0.000 2.952 255 W HA 0.209 4.869 4.660 0.000 0.000 0.251 255 W C 1.424 178.060 176.519 0.195 0.000 1.144 255 W CA 0.651 58.098 57.345 0.170 0.000 1.551 255 W CB -0.244 29.255 29.460 0.065 0.000 0.978 255 W HN 0.555 nan 8.180 nan 0.000 0.648 256 T N -2.773 111.964 114.554 0.305 0.000 2.952 256 T HA 0.382 4.733 4.350 0.000 0.000 0.286 256 T C -1.955 172.773 174.700 0.047 0.000 1.024 256 T CA -2.018 60.163 62.100 0.136 0.000 1.029 256 T CB 2.476 71.392 68.868 0.081 0.000 1.094 256 T HN -0.373 nan 8.240 nan 0.000 0.515 257 P HA -0.005 nan 4.420 nan 0.000 0.216 257 P C 1.618 178.919 177.300 0.002 0.000 1.150 257 P CA 1.426 64.516 63.100 -0.017 0.000 0.837 257 P CB -0.240 31.451 31.700 -0.015 0.000 0.786 258 A N -0.122 122.703 122.820 0.008 0.000 1.972 258 A HA -0.225 4.095 4.320 0.000 0.000 0.219 258 A C 2.050 179.640 177.584 0.011 0.000 1.169 258 A CA 1.622 53.663 52.037 0.006 0.000 0.635 258 A CB -1.063 17.937 19.000 -0.000 0.000 0.810 258 A HN 0.212 nan 8.150 nan 0.000 0.446 259 E N -0.363 119.851 120.200 0.024 0.000 2.158 259 E HA 0.041 4.391 4.350 0.000 0.000 0.191 259 E C 2.219 178.847 176.600 0.046 0.000 0.982 259 E CA 0.649 57.070 56.400 0.035 0.000 0.823 259 E CB -0.206 29.529 29.700 0.059 0.000 0.766 259 E HN 0.616 nan 8.360 nan 0.000 0.468 260 A N 1.456 124.300 122.820 0.040 0.000 1.930 260 A HA -0.113 4.207 4.320 0.000 0.000 0.217 260 A C 2.131 179.728 177.584 0.021 0.000 1.175 260 A CA 0.702 52.758 52.037 0.031 0.000 0.627 260 A CB -0.485 18.514 19.000 -0.002 0.000 0.815 260 A HN 0.225 nan 8.150 nan 0.000 0.443 261 L N -0.707 120.525 121.223 0.014 0.000 2.093 261 L HA -0.166 4.174 4.340 0.000 0.000 0.208 261 L C 2.856 179.734 176.870 0.013 0.000 1.085 261 L CA 1.470 56.316 54.840 0.011 0.000 0.755 261 L CB -0.506 41.557 42.059 0.007 0.000 0.904 261 L HN 0.443 nan 8.230 nan 0.000 0.435 262 A N -0.876 121.953 122.820 0.015 0.000 1.933 262 A HA -0.154 4.167 4.320 0.000 0.000 0.218 262 A C 2.198 179.794 177.584 0.019 0.000 1.175 262 A CA 1.636 53.681 52.037 0.014 0.000 0.628 262 A CB -0.691 18.316 19.000 0.011 0.000 0.814 262 A HN 0.307 nan 8.150 nan 0.000 0.444 263 V N -0.518 119.412 119.914 0.027 0.000 2.358 263 V HA -0.202 3.918 4.120 0.000 0.000 0.246 263 V C 2.584 178.692 176.094 0.024 0.000 1.047 263 V CA 1.853 64.172 62.300 0.032 0.000 1.035 263 V CB -0.507 31.343 31.823 0.045 0.000 0.658 263 V HN 0.378 nan 8.190 nan 0.000 0.452 264 V N -0.125 119.801 119.914 0.020 0.000 2.261 264 V HA -0.304 3.816 4.120 0.000 0.000 0.246 264 V C 2.420 178.521 176.094 0.013 0.000 1.047 264 V CA 2.198 64.507 62.300 0.015 0.000 1.015 264 V CB -0.692 31.139 31.823 0.012 0.000 0.642 264 V HN 0.536 nan 8.190 nan 0.000 0.446 265 K N 0.254 120.661 120.400 0.012 0.000 2.097 265 K HA -0.099 4.222 4.320 0.000 0.000 0.206 265 K C 2.047 178.653 176.600 0.011 0.000 1.049 265 K CA 1.521 57.813 56.287 0.010 0.000 0.933 265 K CB -0.346 32.159 32.500 0.008 0.000 0.717 265 K HN 0.485 nan 8.250 nan 0.000 0.442 266 A N 0.693 123.521 122.820 0.014 0.000 2.208 266 A HA -0.062 4.258 4.320 0.000 0.000 0.209 266 A C 0.203 177.797 177.584 0.017 0.000 1.161 266 A CA 0.198 52.244 52.037 0.016 0.000 0.782 266 A CB -0.127 18.884 19.000 0.018 0.000 0.816 266 A HN 0.365 nan 8.150 nan 0.000 0.477 267 Q N -2.297 117.513 119.800 0.016 0.000 2.453 267 Q HA -0.277 4.064 4.340 0.000 0.000 0.294 267 Q C 0.959 176.972 176.000 0.021 0.000 1.295 267 Q CA 0.267 56.079 55.803 0.015 0.000 0.853 267 Q CB -2.026 26.720 28.738 0.013 0.000 1.193 267 Q HN 0.819 nan 8.270 nan 0.000 0.461 268 A N -0.563 122.272 122.820 0.026 0.000 2.169 268 A HA 0.498 4.818 4.320 0.000 0.000 0.212 268 A C 0.790 178.397 177.584 0.038 0.000 1.153 268 A CA 1.089 53.147 52.037 0.035 0.000 0.756 268 A CB 0.512 19.535 19.000 0.039 0.000 0.813 268 A HN 0.805 nan 8.150 nan 0.000 0.471 269 A N -1.112 121.724 122.820 0.028 0.000 2.582 269 A HA 0.515 4.835 4.320 0.000 0.000 0.297 269 A C -0.664 176.917 177.584 -0.004 0.000 1.059 269 A CA -0.345 51.704 52.037 0.020 0.000 0.705 269 A CB 0.349 19.371 19.000 0.037 0.000 1.279 269 A HN -0.046 nan 8.150 nan 0.000 0.404 270 D N -0.033 120.347 120.400 -0.034 0.000 2.317 270 D HA 0.188 4.829 4.640 0.000 0.000 0.211 270 D C 0.426 176.671 176.300 -0.091 0.000 0.966 270 D CA 1.557 55.517 54.000 -0.067 0.000 0.876 270 D CB 0.369 41.106 40.800 -0.105 0.000 0.927 270 D HN 0.330 nan 8.370 nan 0.000 0.519 271 V N 0.770 120.636 119.914 -0.080 0.000 2.971 271 V HA 0.393 4.513 4.120 0.000 0.000 0.309 271 V C -0.369 175.740 176.094 0.024 0.000 1.130 271 V CA -0.881 61.376 62.300 -0.071 0.000 0.964 271 V CB 3.074 34.772 31.823 -0.209 0.000 1.029 271 V HN -0.175 nan 8.190 nan 0.000 0.427 272 I N 2.386 123.003 120.570 0.078 0.000 2.433 272 I HA 0.640 4.810 4.170 0.000 0.000 0.292 272 I C 0.430 176.661 176.117 0.189 0.000 1.001 272 I CA -0.756 60.618 61.300 0.125 0.000 1.119 272 I CB 1.999 40.065 38.000 0.109 0.000 1.289 272 I HN 0.760 nan 8.210 nan 0.000 0.438 273 A N 7.377 130.319 122.820 0.204 0.000 2.539 273 A HA 0.373 4.694 4.320 0.000 0.000 0.306 273 A C -0.512 177.176 177.584 0.175 0.000 1.392 273 A CA -0.288 51.886 52.037 0.227 0.000 1.060 273 A CB -0.186 18.944 19.000 0.216 0.000 1.134 273 A HN 0.517 nan 8.150 nan 0.000 0.542 274 L N 2.722 124.050 121.223 0.174 0.000 2.265 274 L HA 0.533 4.873 4.340 0.000 0.000 0.288 274 L C -0.362 176.481 176.870 -0.046 0.000 1.058 274 L CA -0.050 54.932 54.840 0.238 0.000 0.809 274 L CB 0.294 42.469 42.059 0.193 0.000 1.179 274 L HN 0.509 nan 8.230 nan 0.000 0.429 275 K N 3.364 123.566 120.400 -0.329 0.000 2.502 275 K HA 0.303 4.623 4.320 0.000 0.000 0.254 275 K C 1.033 177.291 176.600 -0.569 0.000 0.947 275 K CA 0.143 56.151 56.287 -0.466 0.000 0.834 275 K CB 1.610 33.795 32.500 -0.524 0.000 1.112 275 K HN 0.745 nan 8.250 nan 0.000 0.427 276 T N -1.813 112.490 114.554 -0.417 0.000 2.849 276 T HA -0.240 4.110 4.350 0.000 0.000 0.270 276 T C 1.888 176.388 174.700 -0.334 0.000 1.066 276 T CA 2.142 64.018 62.100 -0.373 0.000 1.130 276 T CB -0.533 68.144 68.868 -0.318 0.000 0.864 276 T HN 0.666 nan 8.240 nan 0.000 0.481 277 T N 0.471 114.806 114.554 -0.365 0.000 2.732 277 T HA 0.018 4.368 4.350 0.000 0.000 0.261 277 T C 1.935 176.233 174.700 -0.670 0.000 1.040 277 T CA 1.161 63.060 62.100 -0.334 0.000 1.145 277 T CB -0.434 68.317 68.868 -0.196 0.000 0.866 277 T HN 0.464 nan 8.240 nan 0.000 0.427 278 K N 0.396 120.195 120.400 -1.002 0.000 2.152 278 K HA -0.199 4.122 4.320 0.000 0.000 0.206 278 K C 2.109 178.112 176.600 -0.995 0.000 1.048 278 K CA 1.430 56.746 56.287 -1.619 0.000 0.933 278 K CB -0.235 31.450 32.500 -1.358 0.000 0.721 278 K HN 0.513 nan 8.250 nan 0.000 0.447 279 H N -1.180 117.617 119.070 -0.455 0.000 2.551 279 H HA 0.114 4.671 4.556 0.001 0.000 0.266 279 H C 1.173 176.398 175.328 -0.172 0.000 0.977 279 H CA 0.989 56.897 56.048 -0.234 0.000 1.163 279 H CB 0.619 30.262 29.762 -0.199 0.000 1.381 279 H HN 0.536 nan 8.280 nan 0.000 0.581 280 G N -0.202 108.509 108.800 -0.148 0.000 2.130 280 G HA2 -0.011 3.949 3.960 0.000 0.000 0.216 280 G HA3 -0.011 3.949 3.960 0.000 0.000 0.216 280 G C 0.553 175.436 174.900 -0.028 0.000 0.999 280 G CA 0.272 45.332 45.100 -0.068 0.000 0.686 280 G HN 0.925 nan 8.290 nan 0.000 0.515 281 G N -2.096 106.669 108.800 -0.059 0.000 2.347 281 G HA2 0.268 4.228 3.960 0.000 0.000 0.477 281 G HA3 0.268 4.228 3.960 0.000 0.000 0.477 281 G C 0.559 175.423 174.900 -0.060 0.000 1.349 281 G CA -0.119 44.966 45.100 -0.025 0.000 1.000 281 G HN 0.904 nan 8.290 nan 0.000 0.605 282 L N 0.308 121.496 121.223 -0.059 0.000 2.093 282 L HA 0.042 4.382 4.340 0.000 0.000 0.208 282 L C 2.987 179.878 176.870 0.036 0.000 1.085 282 L CA 1.065 55.849 54.840 -0.093 0.000 0.755 282 L CB -0.433 41.428 42.059 -0.331 0.000 0.904 282 L HN 0.548 nan 8.230 nan 0.000 0.435 283 L N -0.861 120.423 121.223 0.101 0.000 1.994 283 L HA -0.174 4.166 4.340 0.000 0.000 0.208 283 L C 2.715 179.636 176.870 0.084 0.000 1.071 283 L CA 1.106 56.028 54.840 0.138 0.000 0.745 283 L CB -0.715 41.445 42.059 0.169 0.000 0.892 283 L HN 0.252 nan 8.230 nan 0.000 0.431 284 E N 0.320 120.548 120.200 0.047 0.000 2.085 284 E HA -0.164 4.187 4.350 0.000 0.000 0.194 284 E C 2.373 178.948 176.600 -0.042 0.000 0.994 284 E CA 1.363 57.771 56.400 0.013 0.000 0.801 284 E CB -0.263 29.451 29.700 0.023 0.000 0.743 284 E HN 0.362 nan 8.360 nan 0.000 0.453 285 S N 0.938 116.591 115.700 -0.078 0.000 2.383 285 S HA -0.134 4.336 4.470 0.000 0.000 0.229 285 S C 1.773 176.408 174.600 0.059 0.000 1.030 285 S CA 0.997 59.061 58.200 -0.226 0.000 1.002 285 S CB -0.018 62.748 63.200 -0.723 0.000 0.829 285 S HN 0.136 nan 8.310 nan 0.000 0.467 286 K N 1.467 122.023 120.400 0.261 0.000 2.097 286 K HA 0.003 4.324 4.320 0.000 0.000 0.206 286 K C 1.931 178.603 176.600 0.119 0.000 1.049 286 K CA 1.083 57.537 56.287 0.278 0.000 0.933 286 K CB -0.262 32.350 32.500 0.187 0.000 0.717 286 K HN 0.409 nan 8.250 nan 0.000 0.442 287 K N 0.442 120.874 120.400 0.052 0.000 2.097 287 K HA -0.014 4.306 4.320 0.000 0.000 0.205 287 K C 2.119 178.705 176.600 -0.024 0.000 1.050 287 K CA 0.767 57.061 56.287 0.011 0.000 0.938 287 K CB -0.084 32.416 32.500 -0.000 0.000 0.718 287 K HN 0.005 nan 8.250 nan 0.000 0.442 288 I N 1.553 122.065 120.570 -0.096 0.000 2.179 288 I HA -0.247 3.923 4.170 0.000 0.000 0.242 288 I C 2.559 178.649 176.117 -0.045 0.000 1.088 288 I CA 1.419 62.620 61.300 -0.166 0.000 1.357 288 I CB -1.336 36.375 38.000 -0.483 0.000 1.051 288 I HN 0.118 nan 8.210 nan 0.000 0.409 289 A N 0.886 123.730 122.820 0.040 0.000 1.902 289 A HA -0.128 4.192 4.320 0.000 0.000 0.217 289 A C 2.580 180.194 177.584 0.050 0.000 1.181 289 A CA 2.042 54.137 52.037 0.096 0.000 0.623 289 A CB -0.764 18.357 19.000 0.202 0.000 0.818 289 A HN 0.437 nan 8.150 nan 0.000 0.443 290 A N -0.141 122.703 122.820 0.038 0.000 1.902 290 A HA -0.079 4.241 4.320 0.000 0.000 0.217 290 A C 2.132 179.724 177.584 0.014 0.000 1.181 290 A CA 1.574 53.625 52.037 0.022 0.000 0.623 290 A CB -0.565 18.448 19.000 0.021 0.000 0.818 290 A HN 0.505 nan 8.150 nan 0.000 0.443 291 I N -0.481 120.094 120.570 0.008 0.000 2.233 291 I HA -0.218 3.952 4.170 0.000 0.000 0.243 291 I C 2.994 179.117 176.117 0.010 0.000 1.093 291 I CA 0.938 62.242 61.300 0.005 0.000 1.380 291 I CB -0.372 37.627 38.000 -0.002 0.000 1.067 291 I HN 0.347 nan 8.210 nan 0.000 0.413 292 A N 0.567 123.395 122.820 0.013 0.000 1.865 292 A HA -0.297 4.024 4.320 0.000 0.000 0.217 292 A C 2.310 179.906 177.584 0.020 0.000 1.191 292 A CA 2.133 54.182 52.037 0.020 0.000 0.623 292 A CB -0.809 18.210 19.000 0.032 0.000 0.826 292 A HN 0.520 nan 8.150 nan 0.000 0.444 293 E N -0.058 120.156 120.200 0.023 0.000 2.097 293 E HA -0.186 4.164 4.350 0.000 0.000 0.196 293 E C 2.005 178.613 176.600 0.013 0.000 1.000 293 E CA 1.359 57.771 56.400 0.020 0.000 0.804 293 E CB -0.308 29.404 29.700 0.018 0.000 0.740 293 E HN 0.527 nan 8.360 nan 0.000 0.454 294 A N 0.327 123.153 122.820 0.011 0.000 2.067 294 A HA -0.006 4.314 4.320 0.000 0.000 0.219 294 A C 2.182 179.771 177.584 0.008 0.000 1.158 294 A CA 1.303 53.344 52.037 0.008 0.000 0.661 294 A CB -0.492 18.512 19.000 0.008 0.000 0.801 294 A HN 0.405 nan 8.150 nan 0.000 0.452 295 G N -2.131 106.675 108.800 0.009 0.000 3.189 295 G HA2 0.382 4.342 3.960 0.000 0.000 0.225 295 G HA3 0.382 4.342 3.960 0.000 0.000 0.225 295 G C 1.099 176.003 174.900 0.006 0.000 1.159 295 G CA 0.431 45.536 45.100 0.008 0.000 0.763 295 G HN 1.517 nan 8.290 nan 0.000 0.549 296 G N -0.200 108.604 108.800 0.007 0.000 2.168 296 G HA2 -0.271 3.689 3.960 0.000 0.000 0.263 296 G HA3 -0.271 3.689 3.960 0.000 0.000 0.263 296 G C 0.388 175.288 174.900 0.001 0.000 0.977 296 G CA 0.373 45.475 45.100 0.004 0.000 0.659 296 G HN 0.492 nan 8.290 nan 0.000 0.533 297 L N 0.612 121.838 121.223 0.005 0.000 2.326 297 L HA 0.672 5.012 4.340 0.000 0.000 0.278 297 L C 1.046 177.923 176.870 0.010 0.000 1.092 297 L CA -0.331 54.510 54.840 0.001 0.000 0.810 297 L CB 1.333 43.397 42.059 0.009 0.000 1.153 297 L HN 0.274 nan 8.230 nan 0.000 0.439 298 A N 2.476 125.291 122.820 -0.008 0.000 2.371 298 A HA 0.402 4.722 4.320 0.000 0.000 0.257 298 A C -0.366 177.261 177.584 0.072 0.000 1.089 298 A CA -0.278 51.771 52.037 0.021 0.000 0.794 298 A CB 0.428 19.404 19.000 -0.040 0.000 1.029 298 A HN 0.801 nan 8.150 nan 0.000 0.488 299 C N 1.480 120.860 119.300 0.134 0.000 2.351 299 C HA 0.603 5.063 4.460 0.000 0.000 0.326 299 C C 0.062 175.221 174.990 0.282 0.000 1.272 299 C CA -0.218 58.909 59.018 0.182 0.000 1.650 299 C CB 0.289 28.127 27.740 0.164 0.000 2.257 299 C HN 0.984 nan 8.230 nan 0.000 0.505 300 H N 0.612 119.796 119.070 0.190 0.000 2.459 300 H HA 0.508 5.065 4.556 0.000 0.000 0.332 300 H C 0.503 175.914 175.328 0.138 0.000 1.094 300 H CA 0.034 56.212 56.048 0.217 0.000 1.224 300 H CB 1.134 31.064 29.762 0.281 0.000 1.449 300 H HN 0.796 nan 8.280 nan 0.000 0.484 301 G N 4.169 112.792 108.800 -0.294 0.000 2.821 301 G HA2 0.453 4.413 3.960 0.000 0.000 0.289 301 G HA3 0.453 4.413 3.960 0.000 0.000 0.289 301 G C -0.006 174.623 174.900 -0.451 0.000 0.771 301 G CA 0.132 45.085 45.100 -0.246 0.000 1.908 301 G HN 0.814 nan 8.290 nan 0.000 0.539 302 A N 2.163 124.807 122.820 -0.293 0.000 2.272 302 A HA 0.830 5.150 4.320 0.000 0.000 0.275 302 A C 0.552 178.000 177.584 -0.227 0.000 1.096 302 A CA -0.254 51.666 52.037 -0.194 0.000 0.822 302 A CB 1.219 20.235 19.000 0.027 0.000 1.088 302 A HN 0.607 nan 8.150 nan 0.000 0.495 303 T N -0.982 113.434 114.554 -0.230 0.000 2.893 303 T HA 0.477 4.828 4.350 0.000 0.000 0.291 303 T C 0.278 174.796 174.700 -0.304 0.000 1.028 303 T CA -0.241 61.675 62.100 -0.307 0.000 0.995 303 T CB 1.245 69.847 68.868 -0.444 0.000 1.051 303 T HN 0.418 nan 8.240 nan 0.000 0.470 304 S N 2.913 118.412 115.700 -0.335 0.000 2.582 304 S HA 0.260 4.730 4.470 0.000 0.000 0.234 304 S C -0.117 174.296 174.600 -0.312 0.000 0.961 304 S CA -0.336 57.623 58.200 -0.400 0.000 0.953 304 S CB -0.514 62.451 63.200 -0.392 0.000 0.800 304 S HN 0.718 nan 8.310 nan 0.000 0.471 305 L N 1.456 122.512 121.223 -0.279 0.000 3.512 305 L HA -0.150 4.190 4.340 0.000 0.000 0.446 305 L C -0.001 176.752 176.870 -0.195 0.000 1.290 305 L CA 0.351 55.052 54.840 -0.232 0.000 0.871 305 L CB -2.095 39.897 42.059 -0.112 0.000 1.767 305 L HN 0.238 nan 8.230 nan 0.000 0.855 306 E N -0.466 119.609 120.200 -0.208 0.000 2.392 306 E HA 0.527 4.877 4.350 0.000 0.000 0.259 306 E C 1.144 177.689 176.600 -0.091 0.000 1.108 306 E CA 0.624 56.942 56.400 -0.137 0.000 0.916 306 E CB 0.365 29.982 29.700 -0.138 0.000 0.989 306 E HN 0.376 nan 8.360 nan 0.000 0.432 307 G N 1.150 109.946 108.800 -0.007 0.000 2.504 307 G HA2 0.101 4.061 3.960 0.000 0.000 0.257 307 G HA3 0.101 4.061 3.960 0.000 0.000 0.257 307 G C -1.497 173.411 174.900 0.013 0.000 1.451 307 G CA -0.592 44.540 45.100 0.053 0.000 1.059 307 G HN 0.438 nan 8.290 nan 0.000 0.550 308 P HA -0.078 nan 4.420 nan 0.000 0.216 308 P C 1.914 179.280 177.300 0.110 0.000 1.153 308 P CA 0.931 64.111 63.100 0.132 0.000 0.848 308 P CB 0.161 31.840 31.700 -0.036 0.000 0.787 309 I N 0.269 120.827 120.570 -0.019 0.000 2.179 309 I HA -0.129 4.041 4.170 0.000 0.000 0.242 309 I C 2.703 178.859 176.117 0.065 0.000 1.088 309 I CA 1.992 63.322 61.300 0.050 0.000 1.357 309 I CB -2.108 35.949 38.000 0.097 0.000 1.051 309 I HN 0.029 nan 8.210 nan 0.000 0.409 310 G N 0.182 109.004 108.800 0.036 0.000 2.404 310 G HA2 -0.210 3.751 3.960 0.000 0.000 0.215 310 G HA3 -0.210 3.751 3.960 0.000 0.000 0.215 310 G C 1.654 176.522 174.900 -0.055 0.000 1.174 310 G CA 1.245 46.338 45.100 -0.012 0.000 0.780 310 G HN 0.319 nan 8.290 nan 0.000 0.537 311 T N 1.676 116.177 114.554 -0.087 0.000 2.759 311 T HA -0.004 4.346 4.350 0.000 0.000 0.269 311 T C 2.763 177.392 174.700 -0.118 0.000 1.042 311 T CA 1.470 63.462 62.100 -0.180 0.000 1.140 311 T CB -0.290 68.371 68.868 -0.344 0.000 0.864 311 T HN 0.372 nan 8.240 nan 0.000 0.455 312 A N 1.351 124.195 122.820 0.039 0.000 1.898 312 A HA 0.235 4.556 4.320 0.000 0.000 0.216 312 A C 2.654 180.274 177.584 0.060 0.000 1.181 312 A CA 1.663 53.782 52.037 0.136 0.000 0.620 312 A CB -1.071 18.062 19.000 0.221 0.000 0.819 312 A HN 0.495 nan 8.150 nan 0.000 0.442 313 A N -0.423 122.420 122.820 0.038 0.000 1.865 313 A HA -0.114 4.206 4.320 0.000 0.000 0.217 313 A C 2.423 180.017 177.584 0.017 0.000 1.191 313 A CA 2.179 54.231 52.037 0.024 0.000 0.623 313 A CB -0.967 18.037 19.000 0.007 0.000 0.826 313 A HN 0.446 nan 8.150 nan 0.000 0.444 314 S N -0.453 115.231 115.700 -0.027 0.000 2.447 314 S HA 0.020 4.490 4.470 0.000 0.000 0.233 314 S C 1.711 176.334 174.600 0.039 0.000 1.006 314 S CA 0.984 59.171 58.200 -0.022 0.000 0.957 314 S CB -0.330 62.801 63.200 -0.114 0.000 0.773 314 S HN 0.475 nan 8.310 nan 0.000 0.507 315 L N 1.015 122.238 121.223 0.000 0.000 2.109 315 L HA -0.055 4.285 4.340 0.000 0.000 0.207 315 L C 2.616 179.502 176.870 0.027 0.000 1.086 315 L CA 0.812 55.650 54.840 -0.003 0.000 0.760 315 L CB -0.332 41.712 42.059 -0.025 0.000 0.910 315 L HN 0.243 nan 8.230 nan 0.000 0.437 316 Q N -0.806 119.020 119.800 0.045 0.000 2.167 316 Q HA -0.193 4.148 4.340 0.000 0.000 0.202 316 Q C 2.039 178.058 176.000 0.033 0.000 0.970 316 Q CA 1.504 57.325 55.803 0.031 0.000 0.855 316 Q CB -0.272 28.486 28.738 0.034 0.000 0.911 316 Q HN 0.445 nan 8.270 nan 0.000 0.438 317 F N 1.163 121.074 119.950 -0.064 0.000 2.128 317 F HA -0.059 4.468 4.527 0.000 0.000 0.295 317 F C 2.139 177.908 175.800 -0.051 0.000 1.100 317 F CA 1.325 59.286 58.000 -0.066 0.000 1.260 317 F CB -0.195 38.763 39.000 -0.070 0.000 1.009 317 F HN 0.025 nan 8.300 nan 0.000 0.476 318 A N 0.224 123.091 122.820 0.078 0.000 2.125 318 A HA -0.008 4.313 4.320 0.000 0.000 0.219 318 A C 2.222 179.748 177.584 -0.096 0.000 1.156 318 A CA 1.399 53.427 52.037 -0.015 0.000 0.671 318 A CB -1.372 17.651 19.000 0.038 0.000 0.794 318 A HN 0.504 nan 8.150 nan 0.000 0.459 319 A N -0.143 122.623 122.820 -0.091 0.000 2.016 319 A HA 0.101 4.421 4.320 0.000 0.000 0.217 319 A C 2.023 179.533 177.584 -0.123 0.000 1.162 319 A CA 1.630 53.616 52.037 -0.085 0.000 0.662 319 A CB -0.360 18.607 19.000 -0.055 0.000 0.812 319 A HN 0.984 nan 8.150 nan 0.000 0.450 320 S N -1.703 113.878 115.700 -0.198 0.000 2.663 320 S HA 0.246 4.716 4.470 0.000 0.000 0.243 320 S C -0.043 174.376 174.600 -0.303 0.000 1.009 320 S CA -0.003 58.069 58.200 -0.213 0.000 0.988 320 S CB -0.030 63.056 63.200 -0.191 0.000 0.896 320 S HN 0.129 nan 8.310 nan 0.000 0.502 321 T N 2.390 116.726 114.554 -0.364 0.000 2.991 321 T HA 0.375 4.725 4.350 0.000 0.000 0.347 321 T C 0.568 175.155 174.700 -0.188 0.000 1.122 321 T CA -0.705 61.164 62.100 -0.386 0.000 1.062 321 T CB 1.498 69.889 68.868 -0.794 0.000 1.043 321 T HN -0.064 nan 8.240 nan 0.000 0.491 322 K N 2.735 123.063 120.400 -0.120 0.000 2.152 322 K HA -0.032 4.288 4.320 0.000 0.000 0.206 322 K C 2.137 178.721 176.600 -0.026 0.000 1.048 322 K CA 1.216 57.467 56.287 -0.059 0.000 0.933 322 K CB -0.475 31.998 32.500 -0.044 0.000 0.721 322 K HN 0.672 nan 8.250 nan 0.000 0.447 323 A N 0.821 123.626 122.820 -0.025 0.000 2.178 323 A HA -0.067 4.254 4.320 0.000 0.000 0.218 323 A C 0.905 178.528 177.584 0.064 0.000 1.157 323 A CA 0.403 52.454 52.037 0.023 0.000 0.689 323 A CB -0.284 18.736 19.000 0.033 0.000 0.787 323 A HN 0.148 nan 8.150 nan 0.000 0.465 324 I N 1.954 122.555 120.570 0.052 0.000 2.293 324 I HA 0.028 4.198 4.170 0.000 0.000 0.299 324 I C 1.041 177.213 176.117 0.090 0.000 1.153 324 I CA 0.603 61.962 61.300 0.099 0.000 1.302 324 I CB -0.267 37.779 38.000 0.078 0.000 1.460 324 I HN 0.361 nan 8.210 nan 0.000 0.552 325 S N 4.422 120.202 115.700 0.132 0.000 2.559 325 S HA 0.063 4.533 4.470 0.000 0.000 0.226 325 S C 0.528 175.267 174.600 0.233 0.000 1.000 325 S CA -0.150 58.133 58.200 0.137 0.000 0.948 325 S CB -0.016 63.249 63.200 0.108 0.000 0.870 325 S HN 0.526 nan 8.310 nan 0.000 0.497 326 Y N 2.698 123.064 120.300 0.110 0.000 2.634 326 Y HA 0.491 5.041 4.550 0.001 0.000 0.292 326 Y C 0.911 176.959 175.900 0.246 0.000 0.996 326 Y CA -0.298 57.888 58.100 0.143 0.000 1.165 326 Y CB 0.002 38.543 38.460 0.134 0.000 1.194 326 Y HN 0.453 nan 8.280 nan 0.000 0.585 327 G N 1.243 110.090 108.800 0.078 0.000 2.601 327 G HA2 -0.123 3.838 3.960 0.000 0.000 0.261 327 G HA3 -0.123 3.838 3.960 0.000 0.000 0.261 327 G C -0.079 174.817 174.900 -0.008 0.000 1.289 327 G CA 0.173 45.282 45.100 0.014 0.000 0.920 327 G HN 1.066 nan 8.290 nan 0.000 0.571 328 T N -3.521 110.988 114.554 -0.074 0.000 2.754 328 T HA 0.725 5.075 4.350 0.000 0.000 0.296 328 T C -0.106 174.529 174.700 -0.110 0.000 1.205 328 T CA 0.443 62.354 62.100 -0.315 0.000 1.009 328 T CB 1.934 70.696 68.868 -0.176 0.000 1.368 328 T HN 1.708 nan 8.240 nan 0.000 0.509 329 E N 0.562 120.667 120.200 -0.158 0.000 3.428 329 E HA 0.328 4.679 4.350 0.000 0.000 0.191 329 E C -0.352 176.129 176.600 -0.197 0.000 0.980 329 E CA -0.536 55.915 56.400 0.085 0.000 1.305 329 E CB -0.133 29.708 29.700 0.234 0.000 1.105 329 E HN 0.491 nan 8.360 nan 0.000 0.455 330 L N 2.325 123.456 121.223 -0.153 0.000 2.533 330 L HA 0.241 4.581 4.340 0.000 0.000 0.239 330 L C 0.024 176.836 176.870 -0.098 0.000 1.376 330 L CA -0.365 54.329 54.840 -0.243 0.000 1.240 330 L CB -0.712 41.237 42.059 -0.184 0.000 1.487 330 L HN 0.418 nan 8.230 nan 0.000 0.419 331 F N -2.432 117.496 119.950 -0.035 0.000 2.678 331 F HA 0.411 4.938 4.527 0.000 0.000 0.305 331 F C 1.803 177.512 175.800 -0.152 0.000 1.090 331 F CA -0.446 57.492 58.000 -0.104 0.000 1.272 331 F CB -0.921 38.058 39.000 -0.035 0.000 1.060 331 F HN 0.143 nan 8.300 nan 0.000 0.576 332 G N 2.529 111.060 108.800 -0.449 0.000 2.703 332 G HA2 -0.321 3.639 3.960 0.000 0.000 0.222 332 G HA3 -0.321 3.639 3.960 0.000 0.000 0.222 332 G C -0.555 174.303 174.900 -0.070 0.000 1.183 332 G CA 1.578 46.513 45.100 -0.276 0.000 0.775 332 G HN 0.320 nan 8.290 nan 0.000 0.615 333 P HA -0.082 nan 4.420 nan 0.000 0.218 333 P C 1.758 179.098 177.300 0.067 0.000 1.146 333 P CA 1.258 64.390 63.100 0.055 0.000 0.813 333 P CB -0.073 31.721 31.700 0.157 0.000 0.778 334 Q N -1.634 118.171 119.800 0.009 0.000 2.488 334 Q HA -0.025 4.315 4.340 0.000 0.000 0.211 334 Q C 1.340 177.380 176.000 0.068 0.000 0.967 334 Q CA 0.609 56.392 55.803 -0.033 0.000 0.926 334 Q CB -0.299 28.291 28.738 -0.247 0.000 0.992 334 Q HN 0.272 nan 8.270 nan 0.000 0.506 335 L N -0.204 121.068 121.223 0.080 0.000 2.354 335 L HA 0.075 4.416 4.340 0.000 0.000 0.212 335 L C 0.617 177.490 176.870 0.004 0.000 1.091 335 L CA 0.704 55.565 54.840 0.035 0.000 0.828 335 L CB 0.094 42.117 42.059 -0.059 0.000 0.973 335 L HN 0.115 nan 8.230 nan 0.000 0.461 336 L N 0.168 121.396 121.223 0.007 0.000 2.416 336 L HA 0.017 4.358 4.340 0.000 0.000 0.272 336 L C 1.528 178.411 176.870 0.021 0.000 1.161 336 L CA 0.110 54.947 54.840 -0.005 0.000 0.845 336 L CB 0.404 42.463 42.059 -0.001 0.000 1.119 336 L HN 0.067 nan 8.230 nan 0.000 0.464 337 K N 0.931 121.340 120.400 0.016 0.000 2.365 337 K HA -0.049 4.271 4.320 0.000 0.000 0.199 337 K C -0.059 176.586 176.600 0.075 0.000 1.045 337 K CA 0.762 57.080 56.287 0.051 0.000 0.962 337 K CB 0.304 32.840 32.500 0.060 0.000 0.759 337 K HN 0.699 nan 8.250 nan 0.000 0.469 338 D N -1.973 118.459 120.400 0.054 0.000 2.622 338 D HA 0.207 4.847 4.640 0.000 0.000 0.255 338 D C -1.395 174.943 176.300 0.063 0.000 1.246 338 D CA -0.533 53.529 54.000 0.104 0.000 0.795 338 D CB 2.031 42.974 40.800 0.238 0.000 1.369 338 D HN -0.068 nan 8.370 nan 0.000 0.425 339 T N -0.406 114.227 114.554 0.133 0.000 2.773 339 T HA 0.590 4.940 4.350 0.000 0.000 0.278 339 T C -1.110 173.756 174.700 0.278 0.000 1.011 339 T CA -0.402 61.783 62.100 0.141 0.000 1.014 339 T CB 0.532 69.425 68.868 0.040 0.000 1.293 339 T HN 0.420 nan 8.240 nan 0.000 0.554 340 Y N 0.481 120.817 120.300 0.059 0.000 2.734 340 Y HA 0.651 5.201 4.550 0.000 0.000 0.251 340 Y C -0.083 175.820 175.900 0.004 0.000 1.049 340 Y CA -0.736 57.407 58.100 0.072 0.000 1.103 340 Y CB -0.650 37.865 38.460 0.091 0.000 1.201 340 Y HN 0.325 nan 8.280 nan 0.000 0.618 341 I N -0.271 120.173 120.570 -0.211 0.000 4.050 341 I HA 0.306 4.476 4.170 0.000 0.000 0.327 341 I C 1.156 177.182 176.117 -0.151 0.000 1.473 341 I CA -0.317 60.835 61.300 -0.248 0.000 1.124 341 I CB 0.331 38.121 38.000 -0.349 0.000 1.129 341 I HN 0.213 nan 8.210 nan 0.000 0.428 342 V N -0.806 119.060 119.914 -0.080 0.000 0.614 342 V HA -0.476 3.645 4.120 0.000 0.000 0.092 342 V C 0.908 176.950 176.094 -0.087 0.000 1.640 342 V CA 2.278 64.541 62.300 -0.061 0.000 3.331 342 V CB -1.547 30.243 31.823 -0.054 0.000 0.607 342 V HN 0.527 nan 8.190 nan 0.000 0.622 343 Q N 0.872 120.587 119.800 -0.141 0.000 2.316 343 Q HA 0.632 4.972 4.340 0.000 0.000 0.215 343 Q C -0.078 175.788 176.000 -0.225 0.000 1.020 343 Q CA 0.156 55.859 55.803 -0.167 0.000 0.970 343 Q CB 0.680 29.298 28.738 -0.200 0.000 1.187 343 Q HN 0.709 nan 8.270 nan 0.000 0.546 344 E N -0.176 119.903 120.200 -0.201 0.000 2.244 344 E HA 0.396 4.746 4.350 0.000 0.000 0.266 344 E C -1.105 175.362 176.600 -0.222 0.000 0.914 344 E CA -0.645 55.660 56.400 -0.158 0.000 0.794 344 E CB 1.143 30.839 29.700 -0.005 0.000 1.210 344 E HN 0.278 nan 8.360 nan 0.000 0.414 345 F N 1.298 121.271 119.950 0.038 0.000 2.375 345 F HA 0.154 4.681 4.527 0.000 0.000 0.333 345 F C 0.690 176.466 175.800 -0.040 0.000 1.104 345 F CA -0.274 57.695 58.000 -0.051 0.000 1.149 345 F CB 0.835 39.792 39.000 -0.072 0.000 1.190 345 F HN 0.274 nan 8.300 nan 0.000 0.533 346 E N 2.879 123.105 120.200 0.042 0.000 2.028 346 E HA 0.156 4.507 4.350 0.000 0.000 0.266 346 E C -1.568 175.011 176.600 -0.034 0.000 0.962 346 E CA -0.338 56.086 56.400 0.039 0.000 0.784 346 E CB 0.426 30.135 29.700 0.015 0.000 1.114 346 E HN 0.454 nan 8.360 nan 0.000 0.414 347 Y N 3.536 123.951 120.300 0.192 0.000 2.491 347 Y HA 0.224 4.774 4.550 0.000 0.000 0.334 347 Y C 0.247 176.302 175.900 0.260 0.000 0.969 347 Y CA -0.619 57.604 58.100 0.205 0.000 1.241 347 Y CB 0.808 39.382 38.460 0.190 0.000 1.105 347 Y HN 0.360 nan 8.280 nan 0.000 0.503 348 K N 0.732 121.299 120.400 0.279 0.000 2.556 348 K HA 0.416 4.736 4.320 0.000 0.000 0.274 348 K C -1.057 175.618 176.600 0.125 0.000 0.966 348 K CA -0.869 55.531 56.287 0.188 0.000 0.865 348 K CB 1.757 34.318 32.500 0.102 0.000 1.444 348 K HN 0.333 nan 8.250 nan 0.000 0.433 349 D N 0.989 121.442 120.400 0.088 0.000 2.837 349 D HA -0.190 4.450 4.640 0.000 0.000 0.230 349 D C 0.780 177.119 176.300 0.065 0.000 1.152 349 D CA 1.930 55.965 54.000 0.059 0.000 0.736 349 D CB -1.416 39.407 40.800 0.039 0.000 1.084 349 D HN 1.221 nan 8.370 nan 0.000 0.429 350 G N -0.567 108.291 108.800 0.096 0.000 2.168 350 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 350 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 350 G C 0.320 175.271 174.900 0.085 0.000 0.977 350 G CA 1.177 46.320 45.100 0.072 0.000 0.659 350 G HN 0.554 nan 8.290 nan 0.000 0.533 351 Q N -1.693 118.171 119.800 0.107 0.000 3.017 351 Q HA 0.835 5.175 4.340 0.000 0.000 0.299 351 Q C -0.949 175.108 176.000 0.096 0.000 1.046 351 Q CA -0.855 54.998 55.803 0.084 0.000 0.821 351 Q CB 2.815 31.575 28.738 0.037 0.000 1.481 351 Q HN 0.550 nan 8.270 nan 0.000 0.494 352 V N -0.228 119.678 119.914 -0.013 0.000 2.851 352 V HA 0.723 4.844 4.120 0.000 0.000 0.307 352 V C -1.657 174.356 176.094 -0.135 0.000 1.129 352 V CA -0.474 61.707 62.300 -0.198 0.000 0.932 352 V CB 1.876 33.425 31.823 -0.456 0.000 1.024 352 V HN 0.869 nan 8.190 nan 0.000 0.426 353 A N 6.068 128.815 122.820 -0.121 0.000 2.354 353 A HA 0.750 5.070 4.320 0.000 0.000 0.269 353 A C -0.448 177.117 177.584 -0.032 0.000 1.109 353 A CA -0.354 51.650 52.037 -0.055 0.000 0.800 353 A CB 0.372 19.354 19.000 -0.031 0.000 1.045 353 A HN 0.777 nan 8.150 nan 0.000 0.489 354 I N 3.216 123.775 120.570 -0.018 0.000 2.452 354 I HA 0.201 4.371 4.170 0.000 0.000 0.287 354 I C -1.979 174.150 176.117 0.019 0.000 1.079 354 I CA -1.654 59.649 61.300 0.004 0.000 1.387 354 I CB 0.639 38.633 38.000 -0.009 0.000 1.404 354 I HN 0.368 nan 8.210 nan 0.000 0.522 355 P HA -0.017 nan 4.420 nan 0.000 0.257 355 P C -0.722 176.578 177.300 -0.001 0.000 1.189 355 P CA 0.029 63.142 63.100 0.023 0.000 0.780 355 P CB 0.177 31.907 31.700 0.052 0.000 0.772 356 Q N 2.403 122.193 119.800 -0.018 0.000 2.340 356 Q HA 0.592 4.932 4.340 0.000 0.000 0.249 356 Q C 0.944 176.931 176.000 -0.021 0.000 0.957 356 Q CA 0.336 56.128 55.803 -0.018 0.000 0.882 356 Q CB 1.192 29.918 28.738 -0.021 0.000 1.235 356 Q HN 0.712 nan 8.270 nan 0.000 0.439 357 G N 1.759 110.549 108.800 -0.016 0.000 2.355 357 G HA2 -0.021 3.939 3.960 0.000 0.000 0.619 357 G HA3 -0.021 3.939 3.960 0.000 0.000 0.619 357 G C -3.003 171.893 174.900 -0.007 0.000 1.337 357 G CA -0.980 44.112 45.100 -0.014 0.000 0.993 357 G HN 0.455 nan 8.290 nan 0.000 0.599 358 P HA 0.473 nan 4.420 nan 0.000 0.274 358 P C 1.299 178.610 177.300 0.017 0.000 1.256 358 P CA 1.552 64.653 63.100 0.003 0.000 0.795 358 P CB 0.742 32.445 31.700 0.005 0.000 1.038 359 G N 0.690 109.506 108.800 0.026 0.000 2.596 359 G HA2 -0.327 3.634 3.960 0.000 0.000 0.295 359 G HA3 -0.327 3.634 3.960 0.000 0.000 0.295 359 G C 0.582 175.515 174.900 0.054 0.000 1.240 359 G CA 0.347 45.478 45.100 0.051 0.000 0.985 359 G HN 0.499 nan 8.290 nan 0.000 0.555 360 L N 2.795 124.060 121.223 0.070 0.000 2.551 360 L HA 0.350 4.690 4.340 0.000 0.000 0.228 360 L C 2.623 179.523 176.870 0.050 0.000 1.153 360 L CA 2.252 57.134 54.840 0.070 0.000 0.851 360 L CB -0.718 41.396 42.059 0.092 0.000 0.959 360 L HN 2.240 nan 8.230 nan 0.000 0.451 361 G N -1.179 107.637 108.800 0.028 0.000 2.143 361 G HA2 -0.210 3.751 3.960 0.000 0.000 0.249 361 G HA3 -0.210 3.751 3.960 0.000 0.000 0.249 361 G C 0.164 175.043 174.900 -0.035 0.000 0.981 361 G CA 0.283 45.384 45.100 0.001 0.000 0.665 361 G HN 0.276 nan 8.290 nan 0.000 0.528 362 V N 0.038 119.934 119.914 -0.031 0.000 2.891 362 V HA 0.575 4.696 4.120 0.000 0.000 0.304 362 V C -1.559 174.508 176.094 -0.045 0.000 1.171 362 V CA -0.761 61.485 62.300 -0.091 0.000 0.943 362 V CB 2.135 33.859 31.823 -0.165 0.000 1.037 362 V HN 0.256 nan 8.190 nan 0.000 0.427 363 D N 3.477 123.840 120.400 -0.060 0.000 2.168 363 D HA 0.527 5.167 4.640 0.000 0.000 0.246 363 D C -0.095 176.167 176.300 -0.063 0.000 1.050 363 D CA -0.152 53.837 54.000 -0.020 0.000 0.857 363 D CB 2.034 42.832 40.800 -0.003 0.000 1.169 363 D HN 0.604 nan 8.370 nan 0.000 0.453 364 V N -0.329 119.543 119.914 -0.070 0.000 2.775 364 V HA 0.413 4.534 4.120 0.000 0.000 0.299 364 V C 0.062 176.130 176.094 -0.043 0.000 1.062 364 V CA -0.403 61.815 62.300 -0.136 0.000 1.063 364 V CB 1.545 33.132 31.823 -0.393 0.000 0.994 364 V HN 0.437 nan 8.190 nan 0.000 0.483 368 K N 1.418 121.908 120.400 0.149 0.000 2.217 368 K HA 0.062 4.382 4.320 0.000 0.000 0.202 368 K C 2.046 178.833 176.600 0.311 0.000 1.051 368 K CA 0.710 57.161 56.287 0.273 0.000 0.952 368 K CB 0.538 33.260 32.500 0.370 0.000 0.736 368 K HN -0.041 nan 8.250 nan 0.000 0.453 369 V N 2.247 122.277 119.914 0.194 0.000 2.261 369 V HA -0.292 3.828 4.120 0.000 0.000 0.246 369 V C 1.689 177.819 176.094 0.060 0.000 1.047 369 V CA 1.937 64.275 62.300 0.064 0.000 1.015 369 V CB -0.688 31.149 31.823 0.023 0.000 0.642 369 V HN 0.393 nan 8.190 nan 0.000 0.446 370 N N -0.408 118.337 118.700 0.074 0.000 2.094 370 N HA -0.244 4.496 4.740 0.000 0.000 0.191 370 N C 1.856 177.396 175.510 0.050 0.000 1.023 370 N CA 1.602 54.686 53.050 0.057 0.000 0.857 370 N CB -0.298 38.228 38.487 0.065 0.000 1.013 370 N HN 0.474 nan 8.380 nan 0.000 0.426 371 F N 0.851 120.729 119.950 -0.120 0.000 2.134 371 F HA -0.162 4.365 4.527 0.000 0.000 0.299 371 F C 1.220 176.813 175.800 -0.344 0.000 1.097 371 F CA 1.298 59.136 58.000 -0.270 0.000 1.264 371 F CB -0.287 38.459 39.000 -0.424 0.000 1.001 371 F HN 0.058 nan 8.300 nan 0.000 0.479 372 Y N -0.006 120.184 120.300 -0.183 0.000 2.466 372 Y HA 0.185 4.735 4.550 0.000 0.000 0.272 372 Y C 1.028 176.803 175.900 -0.209 0.000 1.169 372 Y CA -0.057 57.866 58.100 -0.296 0.000 1.285 372 Y CB -1.012 37.331 38.460 -0.194 0.000 1.078 372 Y HN -0.259 nan 8.280 nan 0.000 0.523 373 T N 2.501 117.029 114.554 -0.043 0.000 2.888 373 T HA 0.059 4.409 4.350 0.000 0.000 0.301 373 T C 0.687 175.360 174.700 -0.045 0.000 1.001 373 T CA -0.368 61.711 62.100 -0.035 0.000 1.147 373 T CB 0.635 69.492 68.868 -0.019 0.000 0.931 373 T HN 0.263 nan 8.240 nan 0.000 0.541 374 R N 0.000 120.485 120.500 -0.025 0.000 2.786 374 R HA 0.000 4.340 4.340 0.000 0.000 0.208 374 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 374 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535