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 1dt6_1_A DATA FIRST_RESID 30 DATA SEQUENCE PPGPTPFPII GNILQIDAKD ISKSLTKFSE CYGPVFTVYL GMKPTVVLHG DATA SEQUENCE YEAVKEALVD LGEEFAGRGS VPILEKVSKG LGIAFSNAKT WKEMRRFSLM DATA SEQUENCE TLRNFGMGKR SIEDRIQEEA RCLVEELRKT NASPCDPTFI LGCAPCNVIC DATA SEQUENCE SVIFHNRFDY KDEEFLKLME SLHENVELLG TPXXXXXXXX XXXLDYFPGI DATA SEQUENCE HKTLLKNADY IKNFIMEKVK EHQKLLDVNN PRDFIDCFLI KMEQENNLEF DATA SEQUENCE TLESLVIAVS DLFGAGTETT STTLRYSLLL LLKHPEVAAR VQEEIERVIG DATA SEQUENCE RHRSPCMQDR SRMPYTDAVI HEIQRFIDLL PTNLPHAVTR DVRFRNYFIP DATA SEQUENCE KGTDIITSLT SVLHDEKAFP NPKVFDPGHF LDESGNFKKS DYFMPFSAGK DATA SEQUENCE RMCVGEGLAR MELFLFLTSI LQNFKLQSLV EPKDLDITAV VNGFVSVPPS DATA SEQUENCE YQLCFIPIHH 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.523 177.300 0.371 0.000 1.155 30 P CA 0.000 63.252 63.100 0.253 0.000 0.800 30 P CB 0.000 31.803 31.700 0.171 0.000 0.726 31 P HA 0.245 nan 4.420 nan 0.000 0.275 31 P C 0.398 177.853 177.300 0.258 0.000 1.266 31 P CA 0.239 63.484 63.100 0.243 0.000 0.793 31 P CB 0.645 32.416 31.700 0.118 0.000 1.074 32 G N 0.582 109.372 108.800 -0.017 0.000 2.559 32 G HA2 0.217 4.179 3.960 0.003 0.000 0.235 32 G HA3 0.217 4.179 3.960 0.003 0.000 0.235 32 G C -2.324 172.640 174.900 0.107 0.000 1.266 32 G CA -0.559 44.437 45.100 -0.174 0.000 0.847 32 G HN 0.353 nan 8.290 nan 0.000 0.583 33 P HA 0.157 nan 4.420 nan 0.000 0.275 33 P C 0.279 177.627 177.300 0.080 0.000 1.262 33 P CA 0.322 63.602 63.100 0.299 0.000 0.834 33 P CB 0.536 32.526 31.700 0.484 0.000 1.098 34 T N -1.824 112.654 114.554 -0.127 0.000 2.827 34 T HA 0.370 4.722 4.350 0.003 0.000 0.328 34 T C -2.996 170.979 174.700 -1.209 0.000 1.598 34 T CA -1.388 60.252 62.100 -0.766 0.000 1.043 34 T CB 0.757 69.470 68.868 -0.258 0.000 1.447 34 T HN 0.015 nan 8.240 nan 0.000 0.491 35 P HA 0.354 nan 4.420 nan 0.000 0.226 35 P C -0.556 176.305 177.300 -0.732 0.000 1.783 35 P CA -0.335 62.007 63.100 -1.262 0.000 0.980 35 P CB -1.411 29.495 31.700 -1.323 0.000 1.967 36 F N 0.723 120.632 119.950 -0.068 0.000 1.851 36 F HA -0.220 4.305 4.527 -0.003 0.000 0.369 36 F C -1.002 174.774 175.800 -0.040 0.000 0.894 36 F CA -1.284 56.703 58.000 -0.022 0.000 0.819 36 F CB -1.754 37.250 39.000 0.006 0.000 0.680 36 F HN 0.263 nan 8.300 nan 0.000 0.605 37 P HA 0.096 nan 4.420 nan 0.000 0.293 37 P C 0.857 178.164 177.300 0.012 0.000 1.285 37 P CA 0.300 63.390 63.100 -0.018 0.000 0.775 37 P CB 1.103 32.639 31.700 -0.273 0.000 1.351 38 I N -2.161 118.397 120.570 -0.020 0.000 4.866 38 I HA 0.224 4.396 4.170 0.003 0.000 0.325 38 I C 0.096 176.198 176.117 -0.024 0.000 1.240 38 I CA 0.112 61.409 61.300 -0.004 0.000 1.355 38 I CB 0.617 38.629 38.000 0.020 0.000 1.395 38 I HN 0.314 nan 8.210 nan 0.000 0.479 39 I N -1.314 119.232 120.570 -0.040 0.000 5.621 39 I HA 0.113 4.285 4.170 0.003 0.000 0.303 39 I C -0.025 176.078 176.117 -0.023 0.000 1.815 39 I CA 0.065 61.341 61.300 -0.040 0.000 2.036 39 I CB -1.283 36.700 38.000 -0.028 0.000 3.367 39 I HN 0.227 nan 8.210 nan 0.000 0.170 40 G N 3.222 112.008 108.800 -0.023 0.000 2.159 40 G HA2 -0.099 3.863 3.960 0.003 0.000 0.227 40 G HA3 -0.099 3.863 3.960 0.003 0.000 0.227 40 G C -0.258 174.645 174.900 0.006 0.000 0.986 40 G CA 0.541 45.637 45.100 -0.007 0.000 0.651 40 G HN 2.213 nan 8.290 nan 0.000 0.523 41 N N -1.828 116.879 118.700 0.012 0.000 4.409 41 N HA 0.328 5.070 4.740 0.003 0.000 0.208 41 N C -0.313 175.229 175.510 0.053 0.000 1.233 41 N CA -0.200 52.873 53.050 0.037 0.000 0.881 41 N CB 0.392 38.895 38.487 0.027 0.000 1.507 41 N HN 0.344 nan 8.380 nan 0.000 0.511 42 I N 0.195 120.814 120.570 0.082 0.000 4.541 42 I HA 0.204 4.376 4.170 0.003 0.000 0.337 42 I C -0.199 175.975 176.117 0.096 0.000 1.338 42 I CA -0.176 61.179 61.300 0.091 0.000 1.244 42 I CB 0.224 38.298 38.000 0.123 0.000 1.417 42 I HN 0.457 nan 8.210 nan 0.000 0.501 43 L N 1.372 122.640 121.223 0.075 0.000 2.651 43 L HA -0.182 4.159 4.340 0.003 0.000 0.236 43 L C 2.450 179.364 176.870 0.073 0.000 1.173 43 L CA 1.421 56.300 54.840 0.066 0.000 0.843 43 L CB -1.743 40.337 42.059 0.034 0.000 0.964 43 L HN 0.484 nan 8.230 nan 0.000 0.454 44 Q N 0.798 120.649 119.800 0.085 0.000 2.103 44 Q HA -0.261 4.081 4.340 0.003 0.000 0.213 44 Q C 1.073 177.133 176.000 0.099 0.000 1.008 44 Q CA 1.928 57.784 55.803 0.088 0.000 0.879 44 Q CB -0.127 28.673 28.738 0.104 0.000 0.946 44 Q HN 0.490 nan 8.270 nan 0.000 0.413 45 I N 1.552 122.213 120.570 0.152 0.000 2.698 45 I HA 0.335 4.507 4.170 0.003 0.000 0.276 45 I C -1.887 174.261 176.117 0.051 0.000 1.166 45 I CA -0.406 60.967 61.300 0.122 0.000 1.101 45 I CB 0.470 38.575 38.000 0.176 0.000 1.305 45 I HN 0.253 nan 8.210 nan 0.000 0.526 46 D N 5.457 125.862 120.400 0.008 0.000 2.927 46 D HA 0.466 5.107 4.640 0.003 0.000 0.219 46 D C -0.335 175.943 176.300 -0.037 0.000 1.248 46 D CA -0.339 53.637 54.000 -0.040 0.000 0.861 46 D CB 2.612 43.422 40.800 0.017 0.000 1.677 46 D HN 0.438 nan 8.370 nan 0.000 0.511 47 A N 1.619 124.406 122.820 -0.056 0.000 3.516 47 A HA 0.367 4.689 4.320 0.003 0.000 0.164 47 A C 0.691 178.254 177.584 -0.035 0.000 1.887 47 A CA -0.184 51.829 52.037 -0.040 0.000 0.978 47 A CB 0.251 19.224 19.000 -0.045 0.000 1.863 47 A HN 0.542 nan 8.150 nan 0.000 0.697 48 K N -0.526 119.855 120.400 -0.032 0.000 2.498 48 K HA 0.311 4.633 4.320 0.003 0.000 0.207 48 K C -1.031 175.551 176.600 -0.031 0.000 1.033 48 K CA 0.379 56.647 56.287 -0.032 0.000 1.138 48 K CB 0.280 32.766 32.500 -0.024 0.000 0.860 48 K HN 0.312 nan 8.250 nan 0.000 0.490 49 D N 1.473 121.851 120.400 -0.035 0.000 3.118 49 D HA 0.066 4.708 4.640 0.003 0.000 0.286 49 D C 0.645 176.918 176.300 -0.044 0.000 1.255 49 D CA -0.475 53.504 54.000 -0.035 0.000 0.748 49 D CB 0.189 40.971 40.800 -0.031 0.000 1.332 49 D HN 0.263 nan 8.370 nan 0.000 0.575 50 I N 0.075 120.623 120.570 -0.038 0.000 2.143 50 I HA -0.311 3.861 4.170 0.003 0.000 0.245 50 I C 1.682 177.783 176.117 -0.028 0.000 1.068 50 I CA 2.006 63.286 61.300 -0.033 0.000 1.326 50 I CB -0.000 37.995 38.000 -0.008 0.000 1.028 50 I HN 0.227 nan 8.210 nan 0.000 0.412 51 S N 0.509 116.201 115.700 -0.014 0.000 2.419 51 S HA -0.240 4.232 4.470 0.003 0.000 0.235 51 S C 2.125 176.719 174.600 -0.010 0.000 1.019 51 S CA 1.484 59.685 58.200 0.002 0.000 0.982 51 S CB -0.504 62.683 63.200 -0.022 0.000 0.789 51 S HN 0.507 nan 8.310 nan 0.000 0.490 52 K N 1.025 121.397 120.400 -0.045 0.000 2.155 52 K HA 0.018 4.340 4.320 0.003 0.000 0.203 52 K C 2.023 178.552 176.600 -0.119 0.000 1.052 52 K CA 1.576 57.828 56.287 -0.059 0.000 0.948 52 K CB -0.431 32.035 32.500 -0.057 0.000 0.728 52 K HN 0.614 nan 8.250 nan 0.000 0.448 53 S N -0.007 115.577 115.700 -0.193 0.000 2.503 53 S HA 0.113 4.584 4.470 0.003 0.000 0.215 53 S C 2.010 176.266 174.600 -0.574 0.000 1.003 53 S CA -0.226 57.721 58.200 -0.422 0.000 0.910 53 S CB -0.060 62.851 63.200 -0.482 0.000 0.790 53 S HN 0.149 nan 8.310 nan 0.000 0.514 54 L N 1.483 122.589 121.223 -0.196 0.000 2.275 54 L HA -0.031 4.311 4.340 0.003 0.000 0.215 54 L C 2.226 179.143 176.870 0.078 0.000 1.119 54 L CA 1.165 56.067 54.840 0.104 0.000 0.790 54 L CB -0.688 41.534 42.059 0.272 0.000 0.919 54 L HN 0.381 nan 8.230 nan 0.000 0.443 55 T N -1.040 113.494 114.554 -0.033 0.000 3.035 55 T HA -0.057 4.294 4.350 0.003 0.000 0.259 55 T C 1.852 176.461 174.700 -0.152 0.000 1.078 55 T CA 0.567 62.614 62.100 -0.088 0.000 1.132 55 T CB 0.207 69.135 68.868 0.100 0.000 0.900 55 T HN 0.257 nan 8.240 nan 0.000 0.480 56 K N 0.669 120.942 120.400 -0.211 0.000 2.026 56 K HA -0.023 4.298 4.320 0.003 0.000 0.208 56 K C 1.842 178.375 176.600 -0.111 0.000 1.048 56 K CA 1.228 57.403 56.287 -0.187 0.000 0.929 56 K CB -0.271 32.053 32.500 -0.294 0.000 0.713 56 K HN 0.206 nan 8.250 nan 0.000 0.439 57 F N 1.668 121.467 119.950 -0.252 0.000 2.095 57 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 57 F C 2.864 178.390 175.800 -0.457 0.000 1.104 57 F CA 1.445 59.162 58.000 -0.472 0.000 1.232 57 F CB -1.450 36.927 39.000 -1.039 0.000 0.987 57 F HN 0.095 nan 8.300 nan 0.000 0.475 58 S N -0.026 115.553 115.700 -0.202 0.000 2.400 58 S HA -0.239 4.233 4.470 0.003 0.000 0.232 58 S C 1.616 176.197 174.600 -0.031 0.000 1.025 58 S CA 1.452 59.612 58.200 -0.067 0.000 0.993 58 S CB -0.853 62.047 63.200 -0.501 0.000 0.808 58 S HN 0.552 nan 8.310 nan 0.000 0.478 59 E N -0.288 119.881 120.200 -0.051 0.000 2.510 59 E HA 0.004 4.356 4.350 0.003 0.000 0.202 59 E C 0.959 177.554 176.600 -0.008 0.000 1.072 59 E CA 0.523 56.916 56.400 -0.012 0.000 0.883 59 E CB -0.226 29.468 29.700 -0.011 0.000 0.818 59 E HN 0.644 nan 8.360 nan 0.000 0.548 60 C N -1.838 117.454 119.300 -0.014 0.000 3.264 60 C HA 0.078 4.539 4.460 0.003 0.000 0.140 60 C C 1.734 176.625 174.990 -0.165 0.000 2.638 60 C CA -0.464 58.473 59.018 -0.136 0.000 0.942 60 C CB -0.963 26.616 27.740 -0.269 0.000 1.355 60 C HN 0.389 nan 8.230 nan 0.000 0.690 61 Y N 2.529 122.790 120.300 -0.064 0.000 2.271 61 Y HA 0.092 4.644 4.550 0.004 0.000 0.284 61 Y C 1.725 177.698 175.900 0.122 0.000 1.189 61 Y CA 2.024 60.129 58.100 0.009 0.000 1.229 61 Y CB -0.988 37.434 38.460 -0.063 0.000 0.973 61 Y HN 0.794 nan 8.280 nan 0.000 0.537 62 G N -1.153 107.793 108.800 0.243 0.000 2.526 62 G HA2 -0.189 3.773 3.960 0.003 0.000 0.250 62 G HA3 -0.189 3.773 3.960 0.003 0.000 0.250 62 G C -1.961 173.124 174.900 0.308 0.000 1.289 62 G CA -0.455 44.782 45.100 0.228 0.000 0.947 62 G HN -0.007 nan 8.290 nan 0.000 0.517 63 P HA 0.031 nan 4.420 nan 0.000 0.218 63 P C 0.641 178.023 177.300 0.137 0.000 1.146 63 P CA 1.663 64.897 63.100 0.223 0.000 0.813 63 P CB 0.100 31.906 31.700 0.177 0.000 0.778 64 V N 1.265 121.247 119.914 0.113 0.000 2.482 64 V HA 0.406 4.528 4.120 0.003 0.000 0.295 64 V C -0.290 175.764 176.094 -0.066 0.000 1.026 64 V CA -0.660 61.583 62.300 -0.095 0.000 0.856 64 V CB 1.144 32.905 31.823 -0.104 0.000 1.001 64 V HN 0.023 nan 8.190 nan 0.000 0.424 65 F N 1.779 121.654 119.950 -0.125 0.000 2.692 65 F HA 0.971 5.499 4.527 0.002 0.000 0.320 65 F C -0.256 175.401 175.800 -0.239 0.000 1.123 65 F CA -0.845 57.062 58.000 -0.155 0.000 0.961 65 F CB 1.940 40.864 39.000 -0.126 0.000 1.383 65 F HN 0.430 nan 8.300 nan 0.000 0.483 66 T N -0.038 114.502 114.554 -0.022 0.000 2.906 66 T HA 0.816 5.167 4.350 0.003 0.000 0.295 66 T C -1.011 173.567 174.700 -0.203 0.000 1.061 66 T CA -0.212 61.769 62.100 -0.198 0.000 1.000 66 T CB 1.500 70.209 68.868 -0.265 0.000 1.103 66 T HN 1.716 nan 8.240 nan 0.000 0.486 67 V N -0.203 119.532 119.914 -0.298 0.000 3.158 67 V HA 0.758 4.880 4.120 0.003 0.000 0.311 67 V C -1.781 174.031 176.094 -0.471 0.000 1.181 67 V CA -1.477 60.653 62.300 -0.283 0.000 1.054 67 V CB 1.530 33.301 31.823 -0.088 0.000 1.085 67 V HN 0.946 nan 8.190 nan 0.000 0.446 68 Y N 1.271 121.527 120.300 -0.073 0.000 2.712 68 Y HA 0.569 5.124 4.550 0.009 0.000 0.328 68 Y C 0.442 176.329 175.900 -0.023 0.000 0.995 68 Y CA -0.686 57.388 58.100 -0.043 0.000 1.283 68 Y CB 1.363 39.799 38.460 -0.041 0.000 1.092 68 Y HN 0.469 nan 8.280 nan 0.000 0.519 69 L N 3.870 125.116 121.223 0.038 0.000 2.803 69 L HA 0.281 4.623 4.340 0.003 0.000 0.241 69 L C 1.085 177.979 176.870 0.041 0.000 1.404 69 L CA 0.476 55.335 54.840 0.032 0.000 1.211 69 L CB -1.098 40.960 42.059 -0.003 0.000 1.585 69 L HN 1.006 nan 8.230 nan 0.000 0.430 70 G N 0.089 108.937 108.800 0.079 0.000 2.145 70 G HA2 -0.197 3.765 3.960 0.003 0.000 0.203 70 G HA3 -0.197 3.765 3.960 0.003 0.000 0.203 70 G C 0.264 175.219 174.900 0.091 0.000 1.096 70 G CA -0.184 44.951 45.100 0.057 0.000 1.282 70 G HN 0.120 nan 8.290 nan 0.000 0.474 71 M N 0.994 120.645 119.600 0.084 0.000 2.304 71 M HA 0.279 4.761 4.480 0.003 0.000 0.281 71 M C 0.221 176.624 176.300 0.170 0.000 1.014 71 M CA 0.344 55.700 55.300 0.094 0.000 1.054 71 M CB 0.615 33.237 32.600 0.037 0.000 1.551 71 M HN 0.172 nan 8.290 nan 0.000 0.548 72 K N 2.538 123.026 120.400 0.147 0.000 2.138 72 K HA 0.453 4.775 4.320 0.003 0.000 0.263 72 K C -2.566 174.059 176.600 0.042 0.000 0.965 72 K CA -1.656 54.695 56.287 0.108 0.000 0.868 72 K CB 1.212 33.728 32.500 0.026 0.000 1.083 72 K HN -0.090 nan 8.250 nan 0.000 0.443 73 P HA 0.057 nan 4.420 nan 0.000 0.282 73 P C -0.707 176.419 177.300 -0.289 0.000 1.249 73 P CA -0.221 62.622 63.100 -0.428 0.000 0.806 73 P CB 1.159 32.691 31.700 -0.279 0.000 0.984 74 T N 1.215 115.555 114.554 -0.357 0.000 3.186 74 T HA 0.292 4.644 4.350 0.003 0.000 0.320 74 T C -0.699 173.835 174.700 -0.276 0.000 0.955 74 T CA -0.666 61.292 62.100 -0.237 0.000 1.030 74 T CB 0.244 69.014 68.868 -0.163 0.000 1.013 74 T HN 0.307 nan 8.240 nan 0.000 0.454 75 V N 5.172 124.925 119.914 -0.268 0.000 2.649 75 V HA 0.789 4.911 4.120 0.003 0.000 0.292 75 V C -0.455 175.390 176.094 -0.416 0.000 1.055 75 V CA -0.030 62.068 62.300 -0.337 0.000 1.023 75 V CB 1.171 32.823 31.823 -0.285 0.000 0.992 75 V HN 0.712 nan 8.190 nan 0.000 0.480 76 V N 6.895 126.411 119.914 -0.664 0.000 2.435 76 V HA 0.459 4.581 4.120 0.003 0.000 0.290 76 V C 0.084 175.774 176.094 -0.673 0.000 1.030 76 V CA -0.561 61.304 62.300 -0.724 0.000 0.881 76 V CB 1.396 32.596 31.823 -1.038 0.000 0.983 76 V HN 0.845 nan 8.190 nan 0.000 0.445 77 L N 4.368 125.320 121.223 -0.452 0.000 2.280 77 L HA 0.482 4.824 4.340 0.003 0.000 0.287 77 L C 0.896 177.662 176.870 -0.174 0.000 1.023 77 L CA -0.294 54.339 54.840 -0.344 0.000 0.819 77 L CB 0.976 42.755 42.059 -0.466 0.000 1.212 77 L HN 0.764 nan 8.230 nan 0.000 0.420 78 H N 2.599 121.583 119.070 -0.143 0.000 2.373 78 H HA 0.189 4.747 4.556 0.003 0.000 0.290 78 H C 0.936 176.282 175.328 0.030 0.000 0.989 78 H CA 0.625 56.661 56.048 -0.020 0.000 1.250 78 H CB 1.002 30.826 29.762 0.104 0.000 1.477 78 H HN 0.686 nan 8.280 nan 0.000 0.551 79 G N -0.185 108.713 108.800 0.163 0.000 2.750 79 G HA2 -0.161 3.801 3.960 0.003 0.000 0.250 79 G HA3 -0.161 3.801 3.960 0.003 0.000 0.250 79 G C 0.550 175.467 174.900 0.029 0.000 1.230 79 G CA 0.282 45.458 45.100 0.127 0.000 0.883 79 G HN 0.509 nan 8.290 nan 0.000 0.573 80 Y N -0.117 120.162 120.300 -0.035 0.000 2.220 80 Y HA -0.114 4.438 4.550 0.003 0.000 0.291 80 Y C 2.751 178.568 175.900 -0.139 0.000 1.129 80 Y CA 2.235 60.237 58.100 -0.163 0.000 1.161 80 Y CB -0.322 37.938 38.460 -0.332 0.000 0.997 80 Y HN 0.776 nan 8.280 nan 0.000 0.522 81 E N 0.613 120.595 120.200 -0.363 0.000 2.058 81 E HA -0.221 4.131 4.350 0.003 0.000 0.194 81 E C 2.240 178.691 176.600 -0.249 0.000 0.997 81 E CA 1.474 57.638 56.400 -0.394 0.000 0.801 81 E CB -0.667 28.964 29.700 -0.116 0.000 0.746 81 E HN 0.428 nan 8.360 nan 0.000 0.450 82 A N 1.310 124.072 122.820 -0.098 0.000 1.908 82 A HA -0.119 4.203 4.320 0.003 0.000 0.218 82 A C 2.505 180.025 177.584 -0.106 0.000 1.181 82 A CA 1.698 53.752 52.037 0.028 0.000 0.627 82 A CB -0.740 18.297 19.000 0.063 0.000 0.818 82 A HN 0.225 nan 8.150 nan 0.000 0.445 83 V N -0.084 119.694 119.914 -0.226 0.000 2.283 83 V HA -0.207 3.914 4.120 0.003 0.000 0.243 83 V C 2.524 178.445 176.094 -0.287 0.000 1.039 83 V CA 2.376 64.505 62.300 -0.286 0.000 1.016 83 V CB -0.646 31.041 31.823 -0.227 0.000 0.650 83 V HN 0.616 nan 8.190 nan 0.000 0.449 84 K N 0.785 120.956 120.400 -0.382 0.000 2.009 84 K HA -0.244 4.077 4.320 0.003 0.000 0.210 84 K C 2.204 178.703 176.600 -0.169 0.000 1.049 84 K CA 2.177 58.282 56.287 -0.304 0.000 0.929 84 K CB -0.506 31.675 32.500 -0.532 0.000 0.714 84 K HN 0.516 nan 8.250 nan 0.000 0.440 85 E N -0.567 119.543 120.200 -0.150 0.000 2.114 85 E HA -0.292 4.060 4.350 0.003 0.000 0.199 85 E C 1.617 178.293 176.600 0.126 0.000 1.008 85 E CA 1.493 57.903 56.400 0.017 0.000 0.810 85 E CB -0.225 29.517 29.700 0.071 0.000 0.739 85 E HN 0.420 nan 8.360 nan 0.000 0.456 86 A N 0.622 123.428 122.820 -0.023 0.000 1.823 86 A HA -0.114 4.208 4.320 0.003 0.000 0.214 86 A C 2.074 179.593 177.584 -0.108 0.000 1.225 86 A CA 1.023 52.873 52.037 -0.313 0.000 0.604 86 A CB -0.927 17.299 19.000 -1.290 0.000 0.878 86 A HN 0.296 nan 8.150 nan 0.000 0.450 87 L N -0.360 120.731 121.223 -0.222 0.000 2.051 87 L HA -0.174 4.168 4.340 0.003 0.000 0.214 87 L C 2.455 179.351 176.870 0.043 0.000 1.076 87 L CA 1.681 56.484 54.840 -0.061 0.000 0.758 87 L CB -0.604 41.383 42.059 -0.120 0.000 0.890 87 L HN 0.244 nan 8.230 nan 0.000 0.433 88 V N -1.352 118.575 119.914 0.022 0.000 2.403 88 V HA -0.100 4.022 4.120 0.003 0.000 0.239 88 V C 2.037 178.178 176.094 0.078 0.000 1.041 88 V CA 1.168 63.500 62.300 0.052 0.000 1.051 88 V CB -0.405 31.434 31.823 0.028 0.000 0.704 88 V HN 0.271 nan 8.190 nan 0.000 0.472 89 D N 0.683 121.129 120.400 0.077 0.000 2.097 89 D HA -0.082 4.560 4.640 0.003 0.000 0.195 89 D C 0.928 177.309 176.300 0.136 0.000 0.989 89 D CA 1.197 55.255 54.000 0.097 0.000 0.827 89 D CB -0.124 40.731 40.800 0.092 0.000 0.966 89 D HN 0.203 nan 8.370 nan 0.000 0.456 90 L N 1.024 122.374 121.223 0.212 0.000 3.029 90 L HA 0.338 4.679 4.340 0.003 0.000 0.231 90 L C 1.809 178.813 176.870 0.224 0.000 1.327 90 L CA -0.273 54.705 54.840 0.229 0.000 1.166 90 L CB 0.080 42.350 42.059 0.351 0.000 1.532 90 L HN -0.095 nan 8.230 nan 0.000 0.473 91 G N -0.352 108.547 108.800 0.165 0.000 2.599 91 G HA2 -0.273 3.689 3.960 0.003 0.000 0.219 91 G HA3 -0.273 3.689 3.960 0.003 0.000 0.219 91 G C 1.396 176.387 174.900 0.152 0.000 1.193 91 G CA 0.508 45.704 45.100 0.159 0.000 0.778 91 G HN 0.424 nan 8.290 nan 0.000 0.589 92 E N 0.254 120.523 120.200 0.115 0.000 2.285 92 E HA -0.013 4.339 4.350 0.003 0.000 0.194 92 E C 2.481 179.095 176.600 0.023 0.000 0.997 92 E CA 0.481 56.941 56.400 0.101 0.000 0.845 92 E CB 0.066 29.822 29.700 0.094 0.000 0.782 92 E HN 0.581 nan 8.360 nan 0.000 0.491 93 E N -0.425 119.760 120.200 -0.024 0.000 2.031 93 E HA -0.121 4.231 4.350 0.003 0.000 0.193 93 E C 0.608 177.038 176.600 -0.284 0.000 0.994 93 E CA 0.956 57.238 56.400 -0.197 0.000 0.800 93 E CB -0.069 29.451 29.700 -0.301 0.000 0.752 93 E HN 0.100 nan 8.360 nan 0.000 0.447 94 F N -0.221 119.706 119.950 -0.037 0.000 2.873 94 F HA 0.324 4.852 4.527 0.002 0.000 0.289 94 F C 0.230 176.011 175.800 -0.031 0.000 1.206 94 F CA -0.242 57.729 58.000 -0.049 0.000 1.401 94 F CB 0.469 39.433 39.000 -0.060 0.000 0.996 94 F HN -0.100 nan 8.300 nan 0.000 0.511 95 A N 0.312 123.127 122.820 -0.008 0.000 3.257 95 A HA 0.695 5.017 4.320 0.003 0.000 0.308 95 A C 0.785 178.076 177.584 -0.488 0.000 1.175 95 A CA -0.041 51.850 52.037 -0.242 0.000 1.018 95 A CB -0.742 18.154 19.000 -0.174 0.000 1.088 95 A HN 0.443 nan 8.150 nan 0.000 0.567 96 G N -0.446 108.116 108.800 -0.396 0.000 3.217 96 G HA2 0.641 4.603 3.960 0.003 0.000 0.213 96 G HA3 0.641 4.603 3.960 0.003 0.000 0.213 96 G C 0.183 174.880 174.900 -0.339 0.000 1.294 96 G CA -0.493 44.391 45.100 -0.360 0.000 0.987 96 G HN 0.343 nan 8.290 nan 0.000 0.584 97 R N -1.982 118.416 120.500 -0.172 0.000 4.897 97 R HA 0.463 4.805 4.340 0.003 0.000 0.090 97 R C 0.653 176.937 176.300 -0.026 0.000 0.661 97 R CA 0.420 56.485 56.100 -0.057 0.000 1.205 97 R CB -0.479 29.843 30.300 0.037 0.000 1.492 97 R HN 1.847 nan 8.270 nan 0.000 0.398 98 G N 1.017 109.791 108.800 -0.044 0.000 2.905 98 G HA2 0.089 4.051 3.960 0.003 0.000 0.245 98 G HA3 0.089 4.051 3.960 0.003 0.000 0.245 98 G C -0.335 174.516 174.900 -0.081 0.000 1.004 98 G CA 0.391 45.458 45.100 -0.055 0.000 1.089 98 G HN 0.481 nan 8.290 nan 0.000 0.456 99 S N -0.310 115.325 115.700 -0.109 0.000 2.615 99 S HA 0.793 5.264 4.470 0.003 0.000 0.268 99 S C 0.802 175.323 174.600 -0.133 0.000 1.146 99 S CA 0.370 58.476 58.200 -0.157 0.000 0.818 99 S CB 1.576 64.594 63.200 -0.302 0.000 1.111 99 S HN 1.861 nan 8.310 nan 0.000 0.465 100 V N -0.807 119.033 119.914 -0.125 0.000 3.161 100 V HA 0.501 4.623 4.120 0.003 0.000 0.221 100 V C -1.342 174.710 176.094 -0.071 0.000 1.296 100 V CA 0.144 62.394 62.300 -0.085 0.000 1.306 100 V CB -1.767 30.018 31.823 -0.063 0.000 1.171 100 V HN 0.615 nan 8.190 nan 0.000 0.513 101 P HA -0.235 nan 4.420 nan 0.000 0.211 101 P C 1.838 179.135 177.300 -0.006 0.000 1.038 101 P CA 2.670 65.748 63.100 -0.038 0.000 0.988 101 P CB -0.281 31.392 31.700 -0.046 0.000 0.758 102 I N -2.198 118.357 120.570 -0.024 0.000 2.356 102 I HA -0.230 3.942 4.170 0.003 0.000 0.259 102 I C 1.267 177.412 176.117 0.047 0.000 1.096 102 I CA 1.599 62.911 61.300 0.020 0.000 1.389 102 I CB -1.736 36.268 38.000 0.007 0.000 1.070 102 I HN 0.084 nan 8.210 nan 0.000 0.445 103 L N 1.463 122.703 121.223 0.028 0.000 2.657 103 L HA 0.160 4.501 4.340 0.003 0.000 0.239 103 L C 1.498 178.393 176.870 0.042 0.000 1.215 103 L CA -0.176 54.688 54.840 0.041 0.000 1.161 103 L CB -0.136 41.941 42.059 0.030 0.000 1.436 103 L HN 0.252 nan 8.230 nan 0.000 0.414 104 E N 0.061 120.299 120.200 0.062 0.000 2.357 104 E HA 0.041 4.393 4.350 0.003 0.000 0.202 104 E C 0.484 177.138 176.600 0.090 0.000 0.855 104 E CA -0.337 56.115 56.400 0.086 0.000 1.048 104 E CB 0.328 30.116 29.700 0.147 0.000 1.037 104 E HN 0.098 nan 8.360 nan 0.000 0.499 105 K N 2.912 123.359 120.400 0.079 0.000 2.292 105 K HA 0.156 4.478 4.320 0.003 0.000 0.270 105 K C 0.386 177.014 176.600 0.048 0.000 1.062 105 K CA -0.110 56.214 56.287 0.061 0.000 0.916 105 K CB 0.753 33.281 32.500 0.047 0.000 1.166 105 K HN 0.206 nan 8.250 nan 0.000 0.458 106 V N 1.222 121.162 119.914 0.043 0.000 3.785 106 V HA -0.256 3.865 4.120 0.003 0.000 0.188 106 V C -0.003 176.113 176.094 0.037 0.000 0.550 106 V CA 1.480 63.801 62.300 0.035 0.000 0.989 106 V CB -2.457 29.383 31.823 0.029 0.000 1.081 106 V HN 0.635 nan 8.190 nan 0.000 1.045 107 S N 1.434 117.161 115.700 0.044 0.000 3.170 107 S HA 0.333 4.805 4.470 0.003 0.000 0.257 107 S C 0.506 175.136 174.600 0.050 0.000 1.284 107 S CA -0.726 57.503 58.200 0.049 0.000 0.973 107 S CB -0.046 63.189 63.200 0.058 0.000 1.330 107 S HN 0.657 nan 8.310 nan 0.000 0.493 108 K N 1.683 122.110 120.400 0.045 0.000 2.440 108 K HA 0.033 4.355 4.320 0.003 0.000 0.270 108 K C 1.118 177.754 176.600 0.060 0.000 0.980 108 K CA 0.200 56.514 56.287 0.046 0.000 0.953 108 K CB 0.307 32.832 32.500 0.041 0.000 0.925 108 K HN 0.642 nan 8.250 nan 0.000 0.497 109 G N 3.600 112.436 108.800 0.060 0.000 3.180 109 G HA2 0.151 4.113 3.960 0.003 0.000 0.252 109 G HA3 0.151 4.113 3.960 0.003 0.000 0.252 109 G C 0.209 175.165 174.900 0.093 0.000 0.871 109 G CA 0.036 45.181 45.100 0.076 0.000 1.979 109 G HN 0.303 nan 8.290 nan 0.000 0.624 110 L N -0.619 120.661 121.223 0.096 0.000 2.260 110 L HA 0.962 5.304 4.340 0.003 0.000 0.265 110 L C 0.890 177.835 176.870 0.124 0.000 1.015 110 L CA -0.701 54.205 54.840 0.109 0.000 0.826 110 L CB 1.409 43.522 42.059 0.090 0.000 1.373 110 L HN 0.443 nan 8.230 nan 0.000 0.450 111 G N -0.409 108.475 108.800 0.141 0.000 2.396 111 G HA2 -0.112 3.850 3.960 0.003 0.000 0.254 111 G HA3 -0.112 3.850 3.960 0.003 0.000 0.254 111 G C -0.202 174.801 174.900 0.171 0.000 1.248 111 G CA -0.171 45.013 45.100 0.139 0.000 1.033 111 G HN 0.508 nan 8.290 nan 0.000 0.502 112 I N 1.282 121.932 120.570 0.134 0.000 2.681 112 I HA 0.449 4.621 4.170 0.003 0.000 0.247 112 I C 1.918 178.082 176.117 0.079 0.000 1.091 112 I CA 0.983 62.377 61.300 0.157 0.000 1.442 112 I CB -0.247 37.822 38.000 0.116 0.000 1.219 112 I HN 0.832 nan 8.210 nan 0.000 0.451 113 A N 1.037 123.783 122.820 -0.123 0.000 2.328 113 A HA 0.567 4.889 4.320 0.003 0.000 0.284 113 A C -0.588 176.751 177.584 -0.409 0.000 1.160 113 A CA -0.248 51.511 52.037 -0.463 0.000 0.818 113 A CB -0.544 17.949 19.000 -0.846 0.000 1.087 113 A HN 0.317 nan 8.150 nan 0.000 0.504 114 F N 0.745 120.659 119.950 -0.061 0.000 2.132 114 F HA -0.089 4.441 4.527 0.005 0.000 0.497 114 F C 0.590 176.366 175.800 -0.040 0.000 1.263 114 F CA 0.854 58.814 58.000 -0.068 0.000 1.599 114 F CB -1.424 37.561 39.000 -0.026 0.000 2.555 114 F HN 1.154 nan 8.300 nan 0.000 0.725 115 S N 0.223 115.984 115.700 0.103 0.000 3.154 115 S HA -0.041 4.431 4.470 0.003 0.000 0.492 115 S C -1.143 173.470 174.600 0.021 0.000 0.625 115 S CA -0.936 57.303 58.200 0.066 0.000 1.346 115 S CB 0.078 63.350 63.200 0.120 0.000 1.504 115 S HN 0.732 nan 8.310 nan 0.000 0.441 116 N N 1.256 119.996 118.700 0.066 0.000 2.497 116 N HA 0.297 5.039 4.740 0.003 0.000 0.268 116 N C 1.323 176.955 175.510 0.202 0.000 1.171 116 N CA 0.563 53.665 53.050 0.086 0.000 0.948 116 N CB 0.986 39.516 38.487 0.071 0.000 1.069 116 N HN 0.778 nan 8.380 nan 0.000 0.460 117 A N 3.898 126.875 122.820 0.262 0.000 1.971 117 A HA -0.339 3.983 4.320 0.003 0.000 0.222 117 A C 2.098 179.835 177.584 0.254 0.000 1.182 117 A CA 2.274 54.581 52.037 0.451 0.000 0.649 117 A CB -0.590 18.653 19.000 0.404 0.000 0.818 117 A HN 0.889 nan 8.150 nan 0.000 0.458 118 K N -1.478 119.020 120.400 0.163 0.000 2.077 118 K HA -0.210 4.112 4.320 0.003 0.000 0.213 118 K C 1.469 178.133 176.600 0.107 0.000 1.051 118 K CA 2.477 58.828 56.287 0.107 0.000 0.929 118 K CB -0.808 31.741 32.500 0.082 0.000 0.715 118 K HN 0.283 nan 8.250 nan 0.000 0.451 119 T N -1.140 113.501 114.554 0.144 0.000 2.990 119 T HA 0.035 4.387 4.350 0.003 0.000 0.249 119 T C 0.740 175.556 174.700 0.195 0.000 1.039 119 T CA 0.084 62.269 62.100 0.141 0.000 1.036 119 T CB -0.195 68.753 68.868 0.134 0.000 0.994 119 T HN 0.467 nan 8.240 nan 0.000 0.489 120 W N 3.054 124.384 121.300 0.050 0.000 2.200 120 W HA -0.025 4.638 4.660 0.005 0.000 0.314 120 W C 1.965 178.517 176.519 0.056 0.000 1.133 120 W CA 1.124 58.496 57.345 0.046 0.000 1.157 120 W CB -0.580 28.893 29.460 0.022 0.000 1.193 120 W HN -0.192 nan 8.180 nan 0.000 0.458 121 K N 0.379 120.494 120.400 -0.475 0.000 2.169 121 K HA -0.277 4.045 4.320 0.003 0.000 0.213 121 K C 1.777 178.164 176.600 -0.354 0.000 1.050 121 K CA 2.369 58.215 56.287 -0.736 0.000 0.935 121 K CB -0.769 31.500 32.500 -0.384 0.000 0.722 121 K HN 0.370 nan 8.250 nan 0.000 0.468 122 E N -0.346 119.773 120.200 -0.136 0.000 2.016 122 E HA -0.061 4.291 4.350 0.003 0.000 0.190 122 E C 2.010 178.630 176.600 0.034 0.000 0.985 122 E CA 0.783 57.158 56.400 -0.041 0.000 0.802 122 E CB -0.161 29.537 29.700 -0.003 0.000 0.762 122 E HN 0.239 nan 8.360 nan 0.000 0.448 123 M N 0.478 120.130 119.600 0.087 0.000 2.358 123 M HA -0.109 4.372 4.480 0.003 0.000 0.264 123 M C 2.128 178.554 176.300 0.209 0.000 1.064 123 M CA 0.968 56.397 55.300 0.215 0.000 1.093 123 M CB -0.714 32.032 32.600 0.244 0.000 1.401 123 M HN 0.062 nan 8.290 nan 0.000 0.440 124 R N 0.229 120.737 120.500 0.013 0.000 2.052 124 R HA -0.103 4.239 4.340 0.003 0.000 0.226 124 R C 2.419 178.714 176.300 -0.008 0.000 1.145 124 R CA 0.896 56.973 56.100 -0.039 0.000 0.952 124 R CB -0.272 29.814 30.300 -0.357 0.000 0.847 124 R HN 0.133 nan 8.270 nan 0.000 0.431 125 R N 0.710 121.159 120.500 -0.084 0.000 2.136 125 R HA -0.240 4.102 4.340 0.003 0.000 0.242 125 R C 2.105 178.428 176.300 0.038 0.000 1.131 125 R CA 2.281 58.354 56.100 -0.044 0.000 0.937 125 R CB -1.263 29.001 30.300 -0.059 0.000 0.863 125 R HN 0.362 nan 8.270 nan 0.000 0.435 126 F N 1.382 121.317 119.950 -0.025 0.000 2.154 126 F HA -0.205 4.323 4.527 0.003 0.000 0.301 126 F C 2.474 178.298 175.800 0.040 0.000 1.087 126 F CA 2.054 60.050 58.000 -0.008 0.000 1.274 126 F CB -0.308 38.693 39.000 0.002 0.000 1.009 126 F HN 0.054 nan 8.300 nan 0.000 0.485 127 S N 0.524 116.346 115.700 0.204 0.000 2.357 127 S HA -0.091 4.381 4.470 0.003 0.000 0.221 127 S C 2.071 176.703 174.600 0.053 0.000 1.031 127 S CA 1.155 59.497 58.200 0.235 0.000 0.982 127 S CB -0.459 62.941 63.200 0.333 0.000 0.853 127 S HN 0.391 nan 8.310 nan 0.000 0.458 128 L N 0.852 122.084 121.223 0.016 0.000 2.079 128 L HA -0.169 4.173 4.340 0.003 0.000 0.210 128 L C 2.451 179.285 176.870 -0.061 0.000 1.081 128 L CA 1.160 55.989 54.840 -0.019 0.000 0.752 128 L CB -0.364 41.681 42.059 -0.024 0.000 0.896 128 L HN 0.405 nan 8.230 nan 0.000 0.433 129 M N -1.172 118.359 119.600 -0.114 0.000 2.171 129 M HA -0.124 4.358 4.480 0.003 0.000 0.260 129 M C 2.491 178.683 176.300 -0.180 0.000 1.087 129 M CA 2.071 57.287 55.300 -0.140 0.000 1.154 129 M CB -0.770 31.736 32.600 -0.156 0.000 1.331 129 M HN 0.337 nan 8.290 nan 0.000 0.431 130 T N -0.314 114.034 114.554 -0.342 0.000 2.977 130 T HA -0.061 4.290 4.350 0.003 0.000 0.271 130 T C 1.423 176.060 174.700 -0.104 0.000 1.105 130 T CA 0.861 62.776 62.100 -0.308 0.000 1.116 130 T CB -0.427 68.059 68.868 -0.637 0.000 0.878 130 T HN 0.330 nan 8.240 nan 0.000 0.509 131 L N 0.588 121.782 121.223 -0.047 0.000 2.688 131 L HA 0.309 4.651 4.340 0.003 0.000 0.234 131 L C 0.876 177.724 176.870 -0.036 0.000 1.192 131 L CA -0.366 54.476 54.840 0.003 0.000 0.984 131 L CB -0.110 41.967 42.059 0.031 0.000 1.232 131 L HN 0.155 nan 8.230 nan 0.000 0.465 132 R N -0.027 120.447 120.500 -0.043 0.000 2.490 132 R HA 0.030 4.371 4.340 0.003 0.000 0.278 132 R C 1.187 177.462 176.300 -0.041 0.000 1.069 132 R CA -0.180 55.901 56.100 -0.033 0.000 1.080 132 R CB 0.518 30.811 30.300 -0.013 0.000 1.030 132 R HN 0.127 nan 8.270 nan 0.000 0.491 133 N N 0.915 119.584 118.700 -0.053 0.000 2.133 133 N HA -0.223 4.519 4.740 0.003 0.000 0.193 133 N C 0.024 175.362 175.510 -0.286 0.000 1.012 133 N CA 1.375 54.334 53.050 -0.152 0.000 0.871 133 N CB 0.084 38.501 38.487 -0.118 0.000 1.011 133 N HN 0.399 nan 8.380 nan 0.000 0.435 134 F N -1.001 118.933 119.950 -0.027 0.000 2.855 134 F HA 0.362 4.891 4.527 0.003 0.000 0.317 134 F C 1.271 177.057 175.800 -0.024 0.000 1.169 134 F CA -0.518 57.470 58.000 -0.020 0.000 1.299 134 F CB 0.946 39.934 39.000 -0.020 0.000 0.962 134 F HN -0.071 nan 8.300 nan 0.000 0.506 135 G N 0.101 108.943 108.800 0.069 0.000 3.327 135 G HA2 0.214 4.176 3.960 0.003 0.000 0.240 135 G HA3 0.214 4.176 3.960 0.003 0.000 0.240 135 G C 0.553 175.461 174.900 0.014 0.000 1.222 135 G CA 0.069 45.181 45.100 0.021 0.000 0.871 135 G HN 0.311 nan 8.290 nan 0.000 0.525 136 M N 0.417 120.048 119.600 0.052 0.000 4.590 136 M HA 0.329 4.811 4.480 0.003 0.000 0.545 136 M C 0.524 176.882 176.300 0.097 0.000 2.120 136 M CA 0.079 55.419 55.300 0.066 0.000 0.513 136 M CB 1.427 34.069 32.600 0.070 0.000 1.450 136 M HN 0.308 nan 8.290 nan 0.000 0.599 137 G N 1.220 110.090 108.800 0.116 0.000 2.693 137 G HA2 -0.250 3.712 3.960 0.003 0.000 0.226 137 G HA3 -0.250 3.712 3.960 0.003 0.000 0.226 137 G C 0.074 175.104 174.900 0.218 0.000 1.354 137 G CA -0.171 45.009 45.100 0.134 0.000 0.873 137 G HN 0.523 nan 8.290 nan 0.000 0.562 138 K N -0.072 120.442 120.400 0.191 0.000 2.209 138 K HA -0.065 4.256 4.320 0.003 0.000 0.204 138 K C 1.752 178.489 176.600 0.229 0.000 1.048 138 K CA 1.261 57.698 56.287 0.251 0.000 0.940 138 K CB 0.047 32.637 32.500 0.150 0.000 0.729 138 K HN 0.418 nan 8.250 nan 0.000 0.451 139 R N 2.260 122.828 120.500 0.114 0.000 2.608 139 R HA 0.030 4.372 4.340 0.003 0.000 0.277 139 R C -0.426 175.796 176.300 -0.130 0.000 1.341 139 R CA -0.214 55.896 56.100 0.016 0.000 1.199 139 R CB 0.206 30.528 30.300 0.037 0.000 1.156 139 R HN 0.089 nan 8.270 nan 0.000 0.558 140 S N 2.994 118.478 115.700 -0.360 0.000 2.572 140 S HA -0.019 4.452 4.470 0.003 0.000 0.267 140 S C 1.588 175.957 174.600 -0.385 0.000 1.361 140 S CA -0.480 57.281 58.200 -0.732 0.000 1.009 140 S CB 0.555 62.953 63.200 -1.335 0.000 0.888 140 S HN 0.607 nan 8.310 nan 0.000 0.553 141 I N 0.657 121.018 120.570 -0.348 0.000 2.394 141 I HA -0.145 4.027 4.170 0.003 0.000 0.251 141 I C 2.734 178.735 176.117 -0.193 0.000 1.136 141 I CA 1.727 62.900 61.300 -0.213 0.000 1.425 141 I CB -0.613 37.284 38.000 -0.171 0.000 1.079 141 I HN 0.908 nan 8.210 nan 0.000 0.425 142 E N 1.512 121.578 120.200 -0.223 0.000 2.077 142 E HA -0.255 4.097 4.350 0.003 0.000 0.193 142 E C 1.631 178.159 176.600 -0.121 0.000 0.989 142 E CA 1.435 57.743 56.400 -0.153 0.000 0.800 142 E CB 0.072 29.696 29.700 -0.128 0.000 0.746 142 E HN 0.406 nan 8.360 nan 0.000 0.452 143 D N 0.315 120.632 120.400 -0.138 0.000 2.117 143 D HA -0.145 4.497 4.640 0.003 0.000 0.197 143 D C 2.097 178.349 176.300 -0.079 0.000 0.987 143 D CA 0.946 54.894 54.000 -0.086 0.000 0.829 143 D CB -0.092 40.659 40.800 -0.082 0.000 0.961 143 D HN 0.265 nan 8.370 nan 0.000 0.460 144 R N 0.351 120.787 120.500 -0.107 0.000 2.075 144 R HA -0.056 4.286 4.340 0.003 0.000 0.232 144 R C 2.358 178.621 176.300 -0.061 0.000 1.126 144 R CA 0.613 56.658 56.100 -0.091 0.000 0.963 144 R CB -0.088 30.143 30.300 -0.114 0.000 0.858 144 R HN 0.205 nan 8.270 nan 0.000 0.435 145 I N 1.349 121.861 120.570 -0.098 0.000 2.315 145 I HA -0.226 3.946 4.170 0.003 0.000 0.248 145 I C 2.254 178.321 176.117 -0.084 0.000 1.117 145 I CA 1.481 62.692 61.300 -0.149 0.000 1.404 145 I CB -1.021 36.827 38.000 -0.253 0.000 1.071 145 I HN 0.259 nan 8.210 nan 0.000 0.419 146 Q N 0.252 120.022 119.800 -0.051 0.000 2.124 146 Q HA -0.223 4.119 4.340 0.003 0.000 0.202 146 Q C 2.215 178.239 176.000 0.039 0.000 0.977 146 Q CA 1.445 57.248 55.803 0.000 0.000 0.850 146 Q CB -0.020 28.717 28.738 -0.001 0.000 0.901 146 Q HN 0.495 nan 8.270 nan 0.000 0.429 147 E N 0.489 120.704 120.200 0.024 0.000 2.047 147 E HA -0.239 4.113 4.350 0.003 0.000 0.191 147 E C 1.758 178.405 176.600 0.078 0.000 0.987 147 E CA 1.039 57.458 56.400 0.031 0.000 0.799 147 E CB 0.156 29.853 29.700 -0.005 0.000 0.752 147 E HN 0.146 nan 8.360 nan 0.000 0.449 148 E N 0.532 120.809 120.200 0.130 0.000 2.110 148 E HA -0.151 4.201 4.350 0.003 0.000 0.193 148 E C 1.723 178.509 176.600 0.309 0.000 0.988 148 E CA 1.385 57.923 56.400 0.230 0.000 0.804 148 E CB -0.338 29.569 29.700 0.345 0.000 0.745 148 E HN 0.341 nan 8.360 nan 0.000 0.458 149 A N 0.707 123.753 122.820 0.376 0.000 1.948 149 A HA -0.243 4.079 4.320 0.003 0.000 0.220 149 A C 2.167 179.876 177.584 0.210 0.000 1.177 149 A CA 1.770 54.039 52.037 0.385 0.000 0.636 149 A CB -0.458 18.707 19.000 0.276 0.000 0.815 149 A HN 0.189 nan 8.150 nan 0.000 0.449 150 R N -1.179 119.404 120.500 0.138 0.000 2.062 150 R HA -0.103 4.239 4.340 0.003 0.000 0.229 150 R C 2.273 178.620 176.300 0.079 0.000 1.128 150 R CA 1.497 57.650 56.100 0.088 0.000 0.960 150 R CB -0.803 29.529 30.300 0.054 0.000 0.855 150 R HN 0.593 nan 8.270 nan 0.000 0.432 151 C N 0.941 120.280 119.300 0.065 0.000 2.413 151 C HA -0.099 4.362 4.460 0.003 0.000 0.277 151 C C 2.601 177.642 174.990 0.086 0.000 1.265 151 C CA 0.365 59.388 59.018 0.008 0.000 1.752 151 C CB -0.925 26.779 27.740 -0.061 0.000 1.998 151 C HN 0.430 nan 8.230 nan 0.000 0.489 152 L N 0.665 121.983 121.223 0.158 0.000 2.056 152 L HA -0.042 4.300 4.340 0.003 0.000 0.207 152 L C 2.465 179.407 176.870 0.120 0.000 1.078 152 L CA 1.867 56.794 54.840 0.144 0.000 0.749 152 L CB -0.729 41.327 42.059 -0.005 0.000 0.901 152 L HN 0.176 nan 8.230 nan 0.000 0.433 153 V N -0.036 119.975 119.914 0.161 0.000 2.343 153 V HA -0.256 3.866 4.120 0.003 0.000 0.247 153 V C 2.635 178.872 176.094 0.240 0.000 1.051 153 V CA 1.761 64.217 62.300 0.260 0.000 1.036 153 V CB -0.602 31.323 31.823 0.170 0.000 0.654 153 V HN 0.591 nan 8.190 nan 0.000 0.451 154 E N 1.156 121.434 120.200 0.130 0.000 2.012 154 E HA -0.248 4.104 4.350 0.003 0.000 0.197 154 E C 2.125 178.781 176.600 0.095 0.000 1.007 154 E CA 2.014 58.470 56.400 0.092 0.000 0.816 154 E CB -0.424 29.296 29.700 0.033 0.000 0.762 154 E HN 0.649 nan 8.360 nan 0.000 0.451 155 E N 0.221 120.468 120.200 0.078 0.000 2.265 155 E HA -0.162 4.190 4.350 0.003 0.000 0.196 155 E C 2.342 178.957 176.600 0.025 0.000 0.996 155 E CA 0.711 57.163 56.400 0.087 0.000 0.832 155 E CB -0.211 29.614 29.700 0.207 0.000 0.756 155 E HN 0.380 nan 8.360 nan 0.000 0.491 156 L N 0.383 121.587 121.223 -0.033 0.000 2.156 156 L HA -0.081 4.261 4.340 0.003 0.000 0.208 156 L C 2.650 179.423 176.870 -0.161 0.000 1.095 156 L CA 0.737 55.380 54.840 -0.329 0.000 0.770 156 L CB -0.115 41.573 42.059 -0.618 0.000 0.914 156 L HN 0.020 nan 8.230 nan 0.000 0.439 157 R N 0.187 120.780 120.500 0.155 0.000 2.075 157 R HA -0.131 4.211 4.340 0.003 0.000 0.232 157 R C 1.929 178.289 176.300 0.100 0.000 1.126 157 R CA 1.047 57.288 56.100 0.236 0.000 0.963 157 R CB -0.176 30.256 30.300 0.219 0.000 0.858 157 R HN 0.276 nan 8.270 nan 0.000 0.435 158 K N 0.059 120.494 120.400 0.058 0.000 2.589 158 K HA -0.074 4.248 4.320 0.003 0.000 0.195 158 K C 1.357 177.968 176.600 0.019 0.000 1.040 158 K CA 0.826 57.135 56.287 0.035 0.000 0.950 158 K CB -0.028 32.491 32.500 0.032 0.000 0.781 158 K HN 0.073 nan 8.250 nan 0.000 0.486 159 T N 1.047 115.603 114.554 0.004 0.000 3.118 159 T HA -0.028 4.324 4.350 0.003 0.000 0.260 159 T C 0.389 175.106 174.700 0.029 0.000 1.139 159 T CA 0.162 62.261 62.100 -0.002 0.000 1.085 159 T CB -0.191 68.653 68.868 -0.039 0.000 0.934 159 T HN 0.324 nan 8.240 nan 0.000 0.518 160 N N 0.412 119.139 118.700 0.045 0.000 2.678 160 N HA -0.290 4.452 4.740 0.003 0.000 0.249 160 N C 0.611 176.156 175.510 0.059 0.000 1.119 160 N CA 0.784 53.864 53.050 0.050 0.000 0.718 160 N CB -1.222 37.284 38.487 0.031 0.000 1.060 160 N HN 0.656 nan 8.380 nan 0.000 0.552 161 A N -1.532 121.336 122.820 0.080 0.000 2.872 161 A HA -0.238 4.084 4.320 0.003 0.000 0.273 161 A C 0.627 178.243 177.584 0.054 0.000 1.442 161 A CA 1.615 53.703 52.037 0.085 0.000 0.801 161 A CB -1.738 17.315 19.000 0.089 0.000 1.031 161 A HN 0.762 nan 8.150 nan 0.000 0.582 162 S N -0.726 115.001 115.700 0.046 0.000 2.690 162 S HA 0.740 5.212 4.470 0.003 0.000 0.291 162 S C -2.463 172.153 174.600 0.025 0.000 1.138 162 S CA -1.444 56.772 58.200 0.026 0.000 1.013 162 S CB 0.877 64.087 63.200 0.016 0.000 1.053 162 S HN 0.228 nan 8.310 nan 0.000 0.539 163 P HA 0.222 nan 4.420 nan 0.000 0.268 163 P C -0.898 176.405 177.300 0.004 0.000 1.208 163 P CA -0.177 62.922 63.100 -0.001 0.000 0.777 163 P CB 0.249 31.942 31.700 -0.012 0.000 0.875 164 C N 1.291 120.591 119.300 0.000 0.000 3.303 164 C HA 0.514 4.976 4.460 0.003 0.000 0.340 164 C C -1.883 173.074 174.990 -0.056 0.000 1.274 164 C CA -0.620 58.396 59.018 -0.003 0.000 1.234 164 C CB 1.474 29.248 27.740 0.056 0.000 1.532 164 C HN 0.495 nan 8.230 nan 0.000 0.483 165 D N 2.748 123.098 120.400 -0.084 0.000 2.427 165 D HA 0.490 5.132 4.640 0.003 0.000 0.226 165 D C -1.411 174.815 176.300 -0.123 0.000 1.076 165 D CA -1.740 52.157 54.000 -0.171 0.000 0.849 165 D CB 1.836 42.553 40.800 -0.139 0.000 1.052 165 D HN 0.505 nan 8.370 nan 0.000 0.515 166 P HA -0.062 nan 4.420 nan 0.000 0.226 166 P C 1.182 178.428 177.300 -0.090 0.000 1.153 166 P CA 0.605 63.667 63.100 -0.062 0.000 0.777 166 P CB 0.202 31.932 31.700 0.050 0.000 0.794 167 T N -0.565 113.914 114.554 -0.126 0.000 2.714 167 T HA -0.237 4.115 4.350 0.003 0.000 0.268 167 T C 1.316 175.961 174.700 -0.091 0.000 1.036 167 T CA 1.422 63.460 62.100 -0.103 0.000 1.148 167 T CB -0.928 67.884 68.868 -0.093 0.000 0.856 167 T HN 0.135 nan 8.240 nan 0.000 0.462 168 F N 1.008 120.855 119.950 -0.172 0.000 2.016 168 F HA 0.096 4.625 4.527 0.003 0.000 0.290 168 F C 2.228 177.881 175.800 -0.244 0.000 1.166 168 F CA 0.852 58.741 58.000 -0.185 0.000 1.156 168 F CB -0.552 38.358 39.000 -0.150 0.000 0.995 168 F HN -0.017 nan 8.300 nan 0.000 0.477 169 I N 0.197 120.654 120.570 -0.189 0.000 2.315 169 I HA -0.308 3.864 4.170 0.003 0.000 0.251 169 I C 1.918 177.729 176.117 -0.510 0.000 1.125 169 I CA 1.092 62.130 61.300 -0.437 0.000 1.392 169 I CB -0.188 37.710 38.000 -0.171 0.000 1.065 169 I HN 0.278 nan 8.210 nan 0.000 0.424 170 L N 0.441 121.457 121.223 -0.345 0.000 2.376 170 L HA -0.011 4.330 4.340 0.003 0.000 0.219 170 L C 2.138 178.820 176.870 -0.313 0.000 1.133 170 L CA 1.673 56.337 54.840 -0.294 0.000 0.816 170 L CB -0.951 41.017 42.059 -0.152 0.000 0.933 170 L HN 0.281 nan 8.230 nan 0.000 0.449 171 G N -3.371 105.193 108.800 -0.393 0.000 2.796 171 G HA2 -0.078 3.884 3.960 0.003 0.000 0.210 171 G HA3 -0.078 3.884 3.960 0.003 0.000 0.210 171 G C 1.534 176.192 174.900 -0.403 0.000 1.146 171 G CA 0.470 45.356 45.100 -0.357 0.000 0.779 171 G HN 0.363 nan 8.290 nan 0.000 0.535 172 C N 0.774 119.718 119.300 -0.593 0.000 2.489 172 C HA 0.245 4.707 4.460 0.003 0.000 0.279 172 C C 3.445 178.299 174.990 -0.228 0.000 1.266 172 C CA 1.165 59.852 59.018 -0.552 0.000 1.707 172 C CB -0.654 26.355 27.740 -1.219 0.000 2.059 172 C HN 0.544 nan 8.230 nan 0.000 0.481 173 A N 1.570 124.175 122.820 -0.358 0.000 1.873 173 A HA -0.165 4.157 4.320 0.003 0.000 0.218 173 A C 0.076 177.682 177.584 0.037 0.000 1.193 173 A CA 2.340 54.265 52.037 -0.188 0.000 0.629 173 A CB -2.031 16.549 19.000 -0.700 0.000 0.826 173 A HN 0.462 nan 8.150 nan 0.000 0.447 174 P HA -0.105 nan 4.420 nan 0.000 0.217 174 P C 1.800 179.186 177.300 0.143 0.000 1.150 174 P CA 1.189 64.374 63.100 0.141 0.000 0.832 174 P CB -0.221 31.524 31.700 0.076 0.000 0.787 175 C N -0.880 118.511 119.300 0.153 0.000 2.440 175 C HA -0.053 4.409 4.460 0.003 0.000 0.278 175 C C 2.527 177.792 174.990 0.458 0.000 1.295 175 C CA 1.022 60.220 59.018 0.300 0.000 1.738 175 C CB -2.030 25.845 27.740 0.225 0.000 1.987 175 C HN 0.183 nan 8.230 nan 0.000 0.492 176 N N 0.455 119.425 118.700 0.450 0.000 2.188 176 N HA -0.073 4.669 4.740 0.003 0.000 0.184 176 N C 1.720 177.338 175.510 0.181 0.000 1.018 176 N CA 1.277 54.520 53.050 0.322 0.000 0.858 176 N CB -0.359 38.279 38.487 0.251 0.000 0.989 176 N HN 0.400 nan 8.380 nan 0.000 0.426 177 V N 1.644 121.660 119.914 0.169 0.000 2.287 177 V HA -0.189 3.933 4.120 0.003 0.000 0.248 177 V C 2.205 178.276 176.094 -0.039 0.000 1.053 177 V CA 1.272 63.621 62.300 0.081 0.000 1.027 177 V CB -0.332 31.561 31.823 0.117 0.000 0.646 177 V HN 0.274 nan 8.190 nan 0.000 0.447 178 I N -1.097 119.414 120.570 -0.097 0.000 2.493 178 I HA -0.239 3.933 4.170 0.003 0.000 0.254 178 I C 2.530 178.380 176.117 -0.445 0.000 1.160 178 I CA 0.973 62.056 61.300 -0.363 0.000 1.445 178 I CB -0.484 37.146 38.000 -0.617 0.000 1.086 178 I HN 0.383 nan 8.210 nan 0.000 0.433 179 C N -0.202 119.049 119.300 -0.082 0.000 2.446 179 C HA -0.151 4.310 4.460 0.003 0.000 0.277 179 C C 3.342 178.319 174.990 -0.022 0.000 1.275 179 C CA 1.528 60.621 59.018 0.126 0.000 1.727 179 C CB -0.664 27.414 27.740 0.563 0.000 2.010 179 C HN 0.511 nan 8.230 nan 0.000 0.486 180 S N 0.307 115.993 115.700 -0.024 0.000 2.368 180 S HA -0.146 4.325 4.470 0.003 0.000 0.225 180 S C 1.799 176.352 174.600 -0.077 0.000 1.030 180 S CA 1.753 59.917 58.200 -0.059 0.000 0.999 180 S CB -0.276 62.878 63.200 -0.076 0.000 0.844 180 S HN 0.580 nan 8.310 nan 0.000 0.459 181 V N -0.745 119.099 119.914 -0.118 0.000 3.573 181 V HA 0.320 4.442 4.120 0.003 0.000 0.270 181 V C 1.315 177.383 176.094 -0.044 0.000 1.221 181 V CA 1.132 63.386 62.300 -0.076 0.000 1.163 181 V CB -0.535 31.229 31.823 -0.099 0.000 0.847 181 V HN 0.580 nan 8.190 nan 0.000 0.468 182 I N -2.076 118.381 120.570 -0.189 0.000 4.312 182 I HA 0.286 4.458 4.170 0.003 0.000 0.324 182 I C 1.704 177.784 176.117 -0.062 0.000 1.298 182 I CA 0.690 61.860 61.300 -0.217 0.000 1.231 182 I CB 0.373 37.988 38.000 -0.642 0.000 1.152 182 I HN 0.251 nan 8.210 nan 0.000 0.421 183 F N -1.032 119.040 119.950 0.203 0.000 2.619 183 F HA 0.185 4.713 4.527 0.003 0.000 0.281 183 F C 1.527 177.589 175.800 0.437 0.000 1.065 183 F CA 0.105 58.220 58.000 0.192 0.000 1.304 183 F CB 0.486 39.604 39.000 0.197 0.000 1.059 183 F HN 0.009 nan 8.300 nan 0.000 0.648 184 H N -0.642 118.618 119.070 0.315 0.000 4.015 184 H HA -0.161 4.396 4.556 0.003 0.000 0.135 184 H C -0.215 175.177 175.328 0.106 0.000 0.700 184 H CA 0.232 56.393 56.048 0.188 0.000 1.234 184 H CB -1.136 28.747 29.762 0.201 0.000 0.687 184 H HN 0.182 nan 8.280 nan 0.000 0.580 185 N N 0.334 119.140 118.700 0.177 0.000 2.485 185 N HA 0.572 5.314 4.740 0.003 0.000 0.280 185 N C -0.387 174.977 175.510 -0.244 0.000 1.205 185 N CA -0.143 52.867 53.050 -0.068 0.000 0.959 185 N CB 1.003 39.407 38.487 -0.138 0.000 1.206 185 N HN 0.470 nan 8.380 nan 0.000 0.545 186 R N -0.344 119.883 120.500 -0.454 0.000 2.836 186 R HA 0.593 4.935 4.340 0.003 0.000 0.269 186 R C -1.412 174.411 176.300 -0.796 0.000 1.010 186 R CA -0.655 55.157 56.100 -0.479 0.000 0.930 186 R CB 0.921 31.096 30.300 -0.208 0.000 1.218 186 R HN 0.302 nan 8.270 nan 0.000 0.473 187 F N -0.345 119.372 119.950 -0.389 0.000 2.575 187 F HA 0.344 4.873 4.527 0.003 0.000 0.330 187 F C 0.400 176.016 175.800 -0.305 0.000 1.056 187 F CA -0.835 56.910 58.000 -0.425 0.000 0.964 187 F CB 1.360 39.900 39.000 -0.767 0.000 1.258 187 F HN 0.499 nan 8.300 nan 0.000 0.484 188 D N 0.286 120.751 120.400 0.108 0.000 2.341 188 D HA 0.031 4.673 4.640 0.003 0.000 0.245 188 D C 0.401 176.935 176.300 0.390 0.000 1.106 188 D CA 0.066 54.129 54.000 0.104 0.000 0.905 188 D CB 0.732 41.599 40.800 0.112 0.000 1.202 188 D HN 0.608 nan 8.370 nan 0.000 0.426 189 Y N 1.510 121.969 120.300 0.265 0.000 2.639 189 Y HA -0.103 4.450 4.550 0.004 0.000 0.297 189 Y C 1.677 177.817 175.900 0.401 0.000 1.151 189 Y CA 0.013 58.354 58.100 0.401 0.000 1.335 189 Y CB 0.443 39.109 38.460 0.343 0.000 0.994 189 Y HN 0.190 nan 8.280 nan 0.000 0.548 190 K N -0.466 120.175 120.400 0.401 0.000 2.360 190 K HA -0.003 4.319 4.320 0.003 0.000 0.196 190 K C -0.005 176.738 176.600 0.238 0.000 1.049 190 K CA -0.015 56.426 56.287 0.257 0.000 1.049 190 K CB 0.300 32.892 32.500 0.153 0.000 0.881 190 K HN -0.061 nan 8.250 nan 0.000 0.542 191 D N 1.401 121.980 120.400 0.299 0.000 2.389 191 D HA -0.090 4.552 4.640 0.003 0.000 0.263 191 D C 0.927 177.384 176.300 0.260 0.000 1.255 191 D CA 0.370 54.536 54.000 0.277 0.000 0.914 191 D CB 0.938 41.944 40.800 0.343 0.000 1.116 191 D HN 0.003 nan 8.370 nan 0.000 0.502 192 E N 3.534 123.836 120.200 0.172 0.000 2.055 192 E HA -0.281 4.070 4.350 0.003 0.000 0.209 192 E C 1.509 178.182 176.600 0.122 0.000 1.036 192 E CA 1.966 58.438 56.400 0.119 0.000 0.849 192 E CB -0.149 29.599 29.700 0.079 0.000 0.767 192 E HN 0.740 nan 8.360 nan 0.000 0.461 193 E N -1.196 119.097 120.200 0.155 0.000 2.130 193 E HA -0.226 4.126 4.350 0.003 0.000 0.196 193 E C 2.076 178.771 176.600 0.158 0.000 0.998 193 E CA 1.276 57.800 56.400 0.208 0.000 0.806 193 E CB -0.367 29.480 29.700 0.244 0.000 0.738 193 E HN 0.429 nan 8.360 nan 0.000 0.459 194 F N 0.517 120.404 119.950 -0.104 0.000 2.060 194 F HA -0.190 4.339 4.527 0.004 0.000 0.295 194 F C 1.973 177.708 175.800 -0.109 0.000 1.120 194 F CA 1.039 58.892 58.000 -0.245 0.000 1.205 194 F CB -0.039 38.927 39.000 -0.057 0.000 0.986 194 F HN -0.025 nan 8.300 nan 0.000 0.470 195 L N 0.626 121.826 121.223 -0.038 0.000 2.129 195 L HA -0.289 4.053 4.340 0.003 0.000 0.212 195 L C 2.355 179.147 176.870 -0.130 0.000 1.087 195 L CA 1.618 56.396 54.840 -0.103 0.000 0.757 195 L CB -0.799 41.307 42.059 0.079 0.000 0.896 195 L HN 0.139 nan 8.230 nan 0.000 0.434 196 K N 0.231 120.584 120.400 -0.079 0.000 2.031 196 K HA -0.141 4.181 4.320 0.003 0.000 0.205 196 K C 2.196 178.792 176.600 -0.007 0.000 1.049 196 K CA 1.037 57.265 56.287 -0.098 0.000 0.939 196 K CB -0.144 32.257 32.500 -0.164 0.000 0.717 196 K HN 0.234 nan 8.250 nan 0.000 0.438 197 L N 0.973 122.183 121.223 -0.022 0.000 2.013 197 L HA -0.280 4.062 4.340 0.003 0.000 0.212 197 L C 2.320 179.012 176.870 -0.298 0.000 1.073 197 L CA 1.605 56.276 54.840 -0.281 0.000 0.753 197 L CB -0.183 41.383 42.059 -0.821 0.000 0.890 197 L HN 0.379 nan 8.230 nan 0.000 0.432 198 M N -1.132 118.240 119.600 -0.380 0.000 2.099 198 M HA -0.217 4.265 4.480 0.003 0.000 0.262 198 M C 2.130 178.350 176.300 -0.133 0.000 1.067 198 M CA 1.453 56.565 55.300 -0.313 0.000 1.124 198 M CB -0.760 31.567 32.600 -0.454 0.000 1.353 198 M HN 0.244 nan 8.290 nan 0.000 0.410 199 E N 0.804 120.943 120.200 -0.102 0.000 2.136 199 E HA -0.188 4.163 4.350 0.003 0.000 0.202 199 E C 1.900 178.487 176.600 -0.021 0.000 1.019 199 E CA 2.004 58.381 56.400 -0.039 0.000 0.819 199 E CB 0.003 29.663 29.700 -0.067 0.000 0.739 199 E HN 0.452 nan 8.360 nan 0.000 0.458 200 S N 0.848 116.535 115.700 -0.023 0.000 2.336 200 S HA -0.114 4.357 4.470 0.003 0.000 0.214 200 S C 2.239 176.840 174.600 0.003 0.000 1.032 200 S CA 1.094 59.297 58.200 0.005 0.000 1.001 200 S CB -0.624 62.620 63.200 0.073 0.000 0.953 200 S HN 0.252 nan 8.310 nan 0.000 0.430 201 L N 0.959 122.168 121.223 -0.024 0.000 2.085 201 L HA -0.286 4.056 4.340 0.003 0.000 0.218 201 L C 2.652 179.569 176.870 0.079 0.000 1.080 201 L CA 2.012 56.855 54.840 0.005 0.000 0.776 201 L CB -0.794 41.246 42.059 -0.032 0.000 0.891 201 L HN 0.412 nan 8.230 nan 0.000 0.437 202 H N 0.117 119.158 119.070 -0.048 0.000 2.333 202 H HA -0.113 4.445 4.556 0.003 0.000 0.302 202 H C 2.152 177.470 175.328 -0.017 0.000 1.075 202 H CA 1.782 57.810 56.048 -0.033 0.000 1.348 202 H CB 0.012 29.741 29.762 -0.054 0.000 1.393 202 H HN 0.306 nan 8.280 nan 0.000 0.509 203 E N 0.126 120.250 120.200 -0.127 0.000 2.058 203 E HA -0.194 4.158 4.350 0.003 0.000 0.194 203 E C 2.152 178.694 176.600 -0.097 0.000 0.997 203 E CA 1.088 57.374 56.400 -0.190 0.000 0.801 203 E CB -0.137 29.496 29.700 -0.112 0.000 0.746 203 E HN 0.612 nan 8.360 nan 0.000 0.450 204 N N 0.375 119.058 118.700 -0.028 0.000 2.018 204 N HA -0.174 4.568 4.740 0.003 0.000 0.196 204 N C 2.063 177.591 175.510 0.030 0.000 1.043 204 N CA 1.522 54.577 53.050 0.008 0.000 0.856 204 N CB -0.112 38.396 38.487 0.034 0.000 1.042 204 N HN -0.030 nan 8.380 nan 0.000 0.423 205 V N 1.488 121.441 119.914 0.066 0.000 2.392 205 V HA -0.229 3.893 4.120 0.003 0.000 0.249 205 V C 2.113 178.246 176.094 0.065 0.000 1.059 205 V CA 1.676 64.041 62.300 0.108 0.000 1.051 205 V CB -0.537 31.381 31.823 0.158 0.000 0.658 205 V HN 0.332 nan 8.190 nan 0.000 0.455 206 E N -0.262 119.937 120.200 -0.003 0.000 2.106 206 E HA -0.079 4.273 4.350 0.003 0.000 0.192 206 E C 1.794 178.359 176.600 -0.058 0.000 0.984 206 E CA 0.689 57.057 56.400 -0.053 0.000 0.806 206 E CB -0.034 29.551 29.700 -0.191 0.000 0.750 206 E HN 0.521 nan 8.360 nan 0.000 0.458 207 L N 1.060 122.250 121.223 -0.054 0.000 2.660 207 L HA 0.042 4.384 4.340 0.003 0.000 0.238 207 L C 1.105 177.951 176.870 -0.040 0.000 1.161 207 L CA 0.135 54.948 54.840 -0.045 0.000 0.937 207 L CB 0.116 42.156 42.059 -0.031 0.000 1.122 207 L HN 0.191 nan 8.230 nan 0.000 0.435 208 L N -1.435 119.766 121.223 -0.037 0.000 2.966 208 L HA 0.295 4.637 4.340 0.003 0.000 0.262 208 L C 1.635 178.424 176.870 -0.135 0.000 1.165 208 L CA -0.298 54.516 54.840 -0.043 0.000 0.978 208 L CB 0.119 42.201 42.059 0.038 0.000 1.337 208 L HN 0.295 nan 8.230 nan 0.000 0.563 209 G N 1.289 109.979 108.800 -0.182 0.000 2.395 209 G HA2 -0.299 3.663 3.960 0.003 0.000 1.025 209 G HA3 -0.299 3.663 3.960 0.003 0.000 1.025 209 G C 0.304 174.790 174.900 -0.689 0.000 1.416 209 G CA 0.329 45.223 45.100 -0.343 0.000 0.873 209 G HN 0.284 nan 8.290 nan 0.000 0.525 210 T N 2.073 116.264 114.554 -0.605 0.000 2.785 210 T HA 0.184 4.536 4.350 0.003 0.000 0.339 210 T C -1.357 173.046 174.700 -0.494 0.000 1.047 210 T CA 0.458 62.202 62.100 -0.592 0.000 1.135 210 T CB -0.352 68.356 68.868 -0.267 0.000 1.085 210 T HN 0.586 nan 8.240 nan 0.000 0.510 224 D N 0.008 119.914 120.400 -0.823 0.000 2.559 224 D HA 0.144 4.786 4.640 0.003 0.000 0.234 224 D C 0.012 176.089 176.300 -0.372 0.000 1.226 224 D CA -0.095 53.602 54.000 -0.505 0.000 0.830 224 D CB 0.065 40.679 40.800 -0.309 0.000 1.028 224 D HN 0.228 nan 8.370 nan 0.000 0.492 225 Y N -0.442 119.880 120.300 0.036 0.000 2.569 225 Y HA 0.176 4.729 4.550 0.005 0.000 0.332 225 Y C 1.124 177.164 175.900 0.233 0.000 1.120 225 Y CA -0.969 57.182 58.100 0.085 0.000 1.416 225 Y CB -0.460 38.030 38.460 0.050 0.000 1.210 225 Y HN -0.066 nan 8.280 nan 0.000 0.528 226 F N 3.205 123.254 119.950 0.164 0.000 2.416 226 F HA 0.027 4.553 4.527 -0.001 0.000 0.296 226 F C -0.531 175.331 175.800 0.103 0.000 1.099 226 F CA -0.130 57.936 58.000 0.111 0.000 1.427 226 F CB 0.198 39.230 39.000 0.054 0.000 1.079 226 F HN 0.505 nan 8.300 nan 0.000 0.536 227 P HA 0.246 nan 4.420 nan 0.000 0.344 227 P C 1.270 178.706 177.300 0.227 0.000 1.366 227 P CA 0.426 63.712 63.100 0.309 0.000 1.359 227 P CB 0.455 32.335 31.700 0.301 0.000 1.659 228 G N 1.733 110.629 108.800 0.159 0.000 2.532 228 G HA2 -0.234 3.728 3.960 0.003 0.000 0.222 228 G HA3 -0.234 3.728 3.960 0.003 0.000 0.222 228 G C 1.362 176.320 174.900 0.097 0.000 1.102 228 G CA 0.572 45.729 45.100 0.096 0.000 0.742 228 G HN 0.232 nan 8.290 nan 0.000 0.577 229 I N 0.280 120.939 120.570 0.148 0.000 2.286 229 I HA -0.173 3.999 4.170 0.003 0.000 0.248 229 I C 2.347 178.531 176.117 0.111 0.000 1.115 229 I CA 1.787 63.156 61.300 0.115 0.000 1.392 229 I CB -0.792 37.279 38.000 0.119 0.000 1.065 229 I HN 0.286 nan 8.210 nan 0.000 0.418 230 H N 1.499 120.606 119.070 0.061 0.000 2.403 230 H HA -0.077 4.482 4.556 0.004 0.000 0.298 230 H C 2.234 177.586 175.328 0.039 0.000 1.059 230 H CA 1.594 57.671 56.048 0.049 0.000 1.363 230 H CB 0.054 29.858 29.762 0.071 0.000 1.410 230 H HN 0.098 nan 8.280 nan 0.000 0.528 231 K N -0.012 120.280 120.400 -0.180 0.000 2.155 231 K HA -0.113 4.209 4.320 0.003 0.000 0.203 231 K C 1.980 178.485 176.600 -0.159 0.000 1.052 231 K CA 1.523 57.668 56.287 -0.237 0.000 0.948 231 K CB -0.055 32.395 32.500 -0.084 0.000 0.728 231 K HN 0.560 nan 8.250 nan 0.000 0.448 232 T N 0.015 114.517 114.554 -0.087 0.000 2.737 232 T HA -0.138 4.214 4.350 0.003 0.000 0.265 232 T C 2.116 176.778 174.700 -0.063 0.000 1.038 232 T CA 1.117 63.182 62.100 -0.059 0.000 1.144 232 T CB -0.555 68.294 68.868 -0.032 0.000 0.866 232 T HN 0.138 nan 8.240 nan 0.000 0.434 233 L N 0.498 121.683 121.223 -0.064 0.000 1.963 233 L HA -0.102 4.240 4.340 0.003 0.000 0.220 233 L C 2.934 179.772 176.870 -0.054 0.000 1.076 233 L CA 1.390 56.207 54.840 -0.038 0.000 0.772 233 L CB -1.069 40.987 42.059 -0.006 0.000 0.892 233 L HN 0.235 nan 8.230 nan 0.000 0.435 234 L N 0.438 121.582 121.223 -0.131 0.000 2.034 234 L HA -0.297 4.044 4.340 0.003 0.000 0.217 234 L C 2.656 179.497 176.870 -0.048 0.000 1.077 234 L CA 2.185 56.959 54.840 -0.109 0.000 0.769 234 L CB -0.856 41.075 42.059 -0.214 0.000 0.890 234 L HN 0.333 nan 8.230 nan 0.000 0.435 235 K N 0.378 120.746 120.400 -0.055 0.000 1.969 235 K HA -0.194 4.128 4.320 0.003 0.000 0.216 235 K C 1.805 178.419 176.600 0.023 0.000 1.048 235 K CA 2.373 58.649 56.287 -0.018 0.000 0.948 235 K CB -0.473 32.007 32.500 -0.034 0.000 0.726 235 K HN 0.449 nan 8.250 nan 0.000 0.442 236 N N -0.213 118.495 118.700 0.015 0.000 2.036 236 N HA -0.248 4.493 4.740 0.003 0.000 0.195 236 N C 1.816 177.363 175.510 0.062 0.000 1.037 236 N CA 1.248 54.327 53.050 0.048 0.000 0.855 236 N CB -0.354 38.142 38.487 0.016 0.000 1.033 236 N HN 0.387 nan 8.380 nan 0.000 0.423 237 A N 1.461 124.300 122.820 0.033 0.000 1.903 237 A HA -0.263 4.059 4.320 0.003 0.000 0.219 237 A C 1.876 179.481 177.584 0.036 0.000 1.191 237 A CA 1.917 53.974 52.037 0.032 0.000 0.638 237 A CB -0.635 18.382 19.000 0.029 0.000 0.823 237 A HN 0.221 nan 8.150 nan 0.000 0.451 238 D N -2.070 118.357 120.400 0.044 0.000 2.123 238 D HA -0.158 4.483 4.640 0.003 0.000 0.196 238 D C 1.717 178.067 176.300 0.082 0.000 0.992 238 D CA 1.553 55.585 54.000 0.053 0.000 0.833 238 D CB -0.367 40.463 40.800 0.050 0.000 0.954 238 D HN 0.560 nan 8.370 nan 0.000 0.455 239 Y N 1.487 121.782 120.300 -0.008 0.000 2.145 239 Y HA -0.163 4.388 4.550 0.003 0.000 0.286 239 Y C 2.212 178.121 175.900 0.015 0.000 1.145 239 Y CA 1.160 59.260 58.100 0.000 0.000 1.148 239 Y CB -0.541 37.905 38.460 -0.023 0.000 0.981 239 Y HN -0.059 nan 8.280 nan 0.000 0.507 240 I N 0.346 120.838 120.570 -0.130 0.000 2.076 240 I HA -0.399 3.773 4.170 0.003 0.000 0.237 240 I C 2.581 178.619 176.117 -0.132 0.000 1.059 240 I CA 2.087 63.255 61.300 -0.220 0.000 1.317 240 I CB -0.697 37.232 38.000 -0.118 0.000 1.037 240 I HN 0.113 nan 8.210 nan 0.000 0.398 241 K N 0.894 121.264 120.400 -0.049 0.000 2.144 241 K HA -0.291 4.030 4.320 0.003 0.000 0.209 241 K C 1.772 178.356 176.600 -0.026 0.000 1.047 241 K CA 2.365 58.645 56.287 -0.012 0.000 0.927 241 K CB -0.121 32.383 32.500 0.007 0.000 0.716 241 K HN 0.286 nan 8.250 nan 0.000 0.454 242 N N -0.055 118.608 118.700 -0.061 0.000 2.081 242 N HA -0.110 4.632 4.740 0.003 0.000 0.191 242 N C 1.424 176.865 175.510 -0.114 0.000 1.053 242 N CA 1.315 54.322 53.050 -0.072 0.000 0.846 242 N CB -0.590 37.866 38.487 -0.052 0.000 1.032 242 N HN 0.122 nan 8.380 nan 0.000 0.431 243 F N 1.652 121.366 119.950 -0.393 0.000 2.063 243 F HA -0.323 4.206 4.527 0.003 0.000 0.296 243 F C 1.910 177.541 175.800 -0.281 0.000 1.093 243 F CA 1.602 59.354 58.000 -0.413 0.000 1.229 243 F CB -0.531 38.093 39.000 -0.625 0.000 0.971 243 F HN 0.076 nan 8.300 nan 0.000 0.491 244 I N -0.758 119.884 120.570 0.119 0.000 2.099 244 I HA -0.370 3.802 4.170 0.003 0.000 0.239 244 I C 2.484 178.601 176.117 0.001 0.000 1.066 244 I CA 1.950 63.350 61.300 0.167 0.000 1.324 244 I CB -0.523 37.614 38.000 0.229 0.000 1.037 244 I HN 0.261 nan 8.210 nan 0.000 0.401 245 M N 0.709 120.302 119.600 -0.013 0.000 2.202 245 M HA -0.256 4.226 4.480 0.003 0.000 0.262 245 M C 2.099 178.355 176.300 -0.073 0.000 1.063 245 M CA 1.762 57.048 55.300 -0.023 0.000 1.097 245 M CB -0.474 32.117 32.600 -0.015 0.000 1.382 245 M HN 0.165 nan 8.290 nan 0.000 0.413 246 E N -0.714 119.393 120.200 -0.155 0.000 2.110 246 E HA -0.244 4.108 4.350 0.003 0.000 0.193 246 E C 1.622 178.098 176.600 -0.207 0.000 0.988 246 E CA 1.176 57.463 56.400 -0.188 0.000 0.804 246 E CB 0.119 29.649 29.700 -0.283 0.000 0.745 246 E HN 0.319 nan 8.360 nan 0.000 0.458 247 K N -0.359 119.854 120.400 -0.313 0.000 2.167 247 K HA -0.001 4.321 4.320 0.003 0.000 0.203 247 K C 1.810 178.335 176.600 -0.126 0.000 1.052 247 K CA 0.416 56.506 56.287 -0.329 0.000 0.956 247 K CB 0.023 32.067 32.500 -0.760 0.000 0.735 247 K HN -0.016 nan 8.250 nan 0.000 0.451 248 V N 0.757 120.647 119.914 -0.041 0.000 2.343 248 V HA -0.244 3.877 4.120 0.003 0.000 0.247 248 V C 2.033 178.200 176.094 0.121 0.000 1.051 248 V CA 1.579 63.929 62.300 0.084 0.000 1.036 248 V CB -0.309 31.569 31.823 0.092 0.000 0.654 248 V HN 0.180 nan 8.190 nan 0.000 0.451 249 K N 0.913 121.349 120.400 0.060 0.000 2.002 249 K HA -0.178 4.144 4.320 0.003 0.000 0.209 249 K C 2.148 178.799 176.600 0.084 0.000 1.048 249 K CA 1.838 58.164 56.287 0.065 0.000 0.930 249 K CB -0.458 32.057 32.500 0.025 0.000 0.714 249 K HN 0.773 nan 8.250 nan 0.000 0.438 250 E N -1.244 118.999 120.200 0.072 0.000 2.265 250 E HA -0.216 4.136 4.350 0.003 0.000 0.196 250 E C 1.350 178.050 176.600 0.168 0.000 0.996 250 E CA 1.193 57.648 56.400 0.092 0.000 0.832 250 E CB -0.306 29.432 29.700 0.063 0.000 0.756 250 E HN 0.363 nan 8.360 nan 0.000 0.491 251 H N 0.662 119.765 119.070 0.053 0.000 2.529 251 H HA 0.084 4.642 4.556 0.003 0.000 0.277 251 H C 1.716 177.093 175.328 0.082 0.000 0.999 251 H CA 1.066 57.165 56.048 0.085 0.000 1.256 251 H CB 0.247 30.096 29.762 0.145 0.000 1.402 251 H HN 0.229 nan 8.280 nan 0.000 0.566 252 Q N -0.140 119.765 119.800 0.175 0.000 2.187 252 Q HA -0.057 4.285 4.340 0.003 0.000 0.199 252 Q C 1.324 177.363 176.000 0.064 0.000 0.957 252 Q CA 0.833 56.708 55.803 0.120 0.000 0.857 252 Q CB 0.291 29.101 28.738 0.121 0.000 0.929 252 Q HN 0.135 nan 8.270 nan 0.000 0.453 253 K N 0.324 120.754 120.400 0.050 0.000 2.589 253 K HA -0.020 4.301 4.320 0.003 0.000 0.192 253 K C -0.831 175.769 176.600 0.000 0.000 1.029 253 K CA 0.344 56.645 56.287 0.024 0.000 1.031 253 K CB 0.112 32.625 32.500 0.022 0.000 0.821 253 K HN 0.059 nan 8.250 nan 0.000 0.502 254 L N -2.036 119.178 121.223 -0.015 0.000 2.811 254 L HA 0.428 4.770 4.340 0.003 0.000 0.251 254 L C -1.139 175.688 176.870 -0.071 0.000 0.971 254 L CA -0.887 53.926 54.840 -0.046 0.000 0.990 254 L CB 0.244 42.265 42.059 -0.063 0.000 1.320 254 L HN -0.131 nan 8.230 nan 0.000 0.473 255 L N -1.606 119.590 121.223 -0.045 0.000 2.389 255 L HA 0.897 5.239 4.340 0.003 0.000 0.249 255 L C -1.078 175.772 176.870 -0.034 0.000 1.083 255 L CA -0.783 54.030 54.840 -0.045 0.000 0.876 255 L CB 2.018 44.065 42.059 -0.019 0.000 1.489 255 L HN 0.328 nan 8.230 nan 0.000 0.412 256 D N -0.553 119.829 120.400 -0.029 0.000 2.654 256 D HA 0.446 5.088 4.640 0.003 0.000 0.255 256 D C -0.997 175.292 176.300 -0.019 0.000 1.101 256 D CA -0.411 53.574 54.000 -0.024 0.000 1.116 256 D CB 3.020 43.806 40.800 -0.025 0.000 1.348 256 D HN 0.316 nan 8.370 nan 0.000 0.609 257 V N 3.078 122.981 119.914 -0.017 0.000 2.409 257 V HA -0.014 4.108 4.120 0.003 0.000 0.270 257 V C 1.331 177.417 176.094 -0.014 0.000 1.019 257 V CA 0.040 62.330 62.300 -0.017 0.000 1.066 257 V CB -0.327 31.487 31.823 -0.015 0.000 1.021 257 V HN 0.594 nan 8.190 nan 0.000 0.476 258 N N 3.713 122.404 118.700 -0.014 0.000 2.691 258 N HA -0.251 4.490 4.740 0.003 0.000 0.257 258 N C 0.338 175.846 175.510 -0.002 0.000 0.966 258 N CA 0.797 53.842 53.050 -0.009 0.000 0.810 258 N CB -0.357 38.123 38.487 -0.012 0.000 0.932 258 N HN 0.879 nan 8.380 nan 0.000 0.546 259 N N 0.257 118.956 118.700 -0.002 0.000 2.813 259 N HA 0.355 5.097 4.740 0.003 0.000 0.282 259 N C -2.992 172.519 175.510 0.001 0.000 1.748 259 N CA -1.558 51.494 53.050 0.003 0.000 0.860 259 N CB 1.005 39.490 38.487 -0.004 0.000 1.204 259 N HN 0.036 nan 8.380 nan 0.000 0.490 260 P HA 0.405 nan 4.420 nan 0.000 0.286 260 P C -0.295 177.033 177.300 0.046 0.000 1.261 260 P CA -0.375 62.743 63.100 0.030 0.000 0.821 260 P CB 1.316 33.048 31.700 0.054 0.000 1.013 261 R N 1.240 121.767 120.500 0.045 0.000 2.509 261 R HA 0.295 4.637 4.340 0.003 0.000 0.300 261 R C -0.546 175.900 176.300 0.244 0.000 0.985 261 R CA -0.091 56.071 56.100 0.104 0.000 1.092 261 R CB -0.060 30.202 30.300 -0.063 0.000 1.237 261 R HN 0.617 nan 8.270 nan 0.000 0.546 262 D N -3.710 116.823 120.400 0.222 0.000 2.926 262 D HA -0.102 4.540 4.640 0.003 0.000 0.272 262 D C 0.083 176.568 176.300 0.308 0.000 1.172 262 D CA -0.848 53.317 54.000 0.276 0.000 0.731 262 D CB -0.237 40.786 40.800 0.373 0.000 1.282 262 D HN -0.195 nan 8.370 nan 0.000 0.430 263 F N 0.666 120.705 119.950 0.150 0.000 2.054 263 F HA -0.320 4.209 4.527 0.003 0.000 0.294 263 F C 2.080 178.086 175.800 0.343 0.000 1.126 263 F CA 2.575 60.697 58.000 0.203 0.000 1.226 263 F CB -0.444 38.615 39.000 0.097 0.000 0.947 263 F HN 0.516 nan 8.300 nan 0.000 0.509 264 I N -0.105 120.781 120.570 0.528 0.000 2.068 264 I HA -0.420 3.752 4.170 0.003 0.000 0.238 264 I C 2.211 178.589 176.117 0.434 0.000 1.046 264 I CA 1.968 63.547 61.300 0.466 0.000 1.306 264 I CB -0.700 37.564 38.000 0.440 0.000 1.023 264 I HN 0.194 nan 8.210 nan 0.000 0.399 265 D N 0.230 120.878 120.400 0.413 0.000 2.172 265 D HA -0.202 4.439 4.640 0.003 0.000 0.196 265 D C 2.221 178.645 176.300 0.206 0.000 0.999 265 D CA 1.319 55.471 54.000 0.253 0.000 0.856 265 D CB -0.318 40.577 40.800 0.158 0.000 0.934 265 D HN 0.412 nan 8.370 nan 0.000 0.453 266 C N -0.453 118.989 119.300 0.236 0.000 2.453 266 C HA -0.080 4.382 4.460 0.003 0.000 0.277 266 C C 2.434 177.645 174.990 0.369 0.000 1.262 266 C CA -0.181 58.984 59.018 0.245 0.000 1.718 266 C CB -1.175 26.657 27.740 0.153 0.000 2.031 266 C HN 0.268 nan 8.230 nan 0.000 0.480 267 F N 1.012 121.103 119.950 0.235 0.000 2.010 267 F HA -0.143 4.386 4.527 0.003 0.000 0.296 267 F C 2.143 177.908 175.800 -0.058 0.000 1.146 267 F CA 1.578 59.530 58.000 -0.081 0.000 1.181 267 F CB -0.824 38.169 39.000 -0.013 0.000 0.965 267 F HN 0.006 nan 8.300 nan 0.000 0.480 268 L N 0.815 122.241 121.223 0.340 0.000 2.058 268 L HA -0.253 4.089 4.340 0.003 0.000 0.226 268 L C 1.771 178.468 176.870 -0.288 0.000 1.089 268 L CA 2.008 56.910 54.840 0.102 0.000 0.799 268 L CB -1.413 40.770 42.059 0.207 0.000 0.900 268 L HN 0.366 nan 8.230 nan 0.000 0.442 269 I N -2.751 117.734 120.570 -0.141 0.000 2.882 269 I HA 0.076 4.248 4.170 0.003 0.000 0.276 269 I C 0.018 175.971 176.117 -0.273 0.000 1.096 269 I CA 0.429 61.621 61.300 -0.180 0.000 1.872 269 I CB -0.654 37.305 38.000 -0.068 0.000 1.383 269 I HN 0.032 nan 8.210 nan 0.000 0.758 270 K N 4.722 124.787 120.400 -0.558 0.000 2.814 270 K HA 0.444 4.766 4.320 0.003 0.000 0.205 270 K C -1.116 175.029 176.600 -0.758 0.000 1.093 270 K CA -0.327 55.603 56.287 -0.593 0.000 1.035 270 K CB 1.527 33.614 32.500 -0.688 0.000 1.220 270 K HN 0.497 nan 8.250 nan 0.000 0.576 271 M N 1.716 121.055 119.600 -0.434 0.000 2.126 271 M HA 0.247 4.729 4.480 0.003 0.000 0.217 271 M C -0.483 175.715 176.300 -0.170 0.000 0.873 271 M CA -0.261 54.865 55.300 -0.291 0.000 0.707 271 M CB 1.487 33.949 32.600 -0.230 0.000 1.515 271 M HN 0.177 nan 8.290 nan 0.000 0.369 272 E N 1.783 121.895 120.200 -0.147 0.000 2.343 272 E HA 0.339 4.691 4.350 0.003 0.000 0.270 272 E C -0.613 175.949 176.600 -0.064 0.000 0.895 272 E CA -0.424 55.919 56.400 -0.095 0.000 0.767 272 E CB 1.710 31.350 29.700 -0.100 0.000 1.248 272 E HN 0.510 nan 8.360 nan 0.000 0.440 273 Q N 2.422 122.196 119.800 -0.043 0.000 2.478 273 Q HA -0.267 4.074 4.340 0.003 0.000 0.286 273 Q C -0.902 175.088 176.000 -0.017 0.000 1.299 273 Q CA 1.666 57.453 55.803 -0.026 0.000 0.826 273 Q CB -1.310 27.413 28.738 -0.025 0.000 1.199 273 Q HN 0.809 nan 8.270 nan 0.000 0.451 274 E N -1.298 118.890 120.200 -0.020 0.000 8.710 274 E HA -0.284 4.068 4.350 0.003 0.000 0.468 274 E C 0.359 176.959 176.600 -0.001 0.000 1.162 274 E CA 0.465 56.859 56.400 -0.009 0.000 2.026 274 E CB -0.767 28.935 29.700 0.003 0.000 1.008 274 E HN 0.533 nan 8.360 nan 0.000 0.263 275 N N 1.637 120.341 118.700 0.008 0.000 2.090 275 N HA -0.361 4.381 4.740 0.003 0.000 0.156 275 N C 0.773 176.337 175.510 0.089 0.000 0.679 275 N CA 3.059 56.128 53.050 0.032 0.000 0.868 275 N CB -0.415 38.103 38.487 0.053 0.000 0.926 275 N HN 0.519 nan 8.380 nan 0.000 1.155 276 N N -0.099 118.683 118.700 0.137 0.000 2.804 276 N HA 0.117 4.858 4.740 0.003 0.000 0.233 276 N C 1.352 176.982 175.510 0.201 0.000 1.020 276 N CA 0.664 53.892 53.050 0.298 0.000 1.164 276 N CB -0.052 38.550 38.487 0.193 0.000 1.571 276 N HN 0.364 nan 8.380 nan 0.000 0.551 277 L N 0.157 121.432 121.223 0.086 0.000 6.983 277 L HA -0.261 4.081 4.340 0.003 0.000 0.053 277 L C 0.620 177.504 176.870 0.023 0.000 2.415 277 L CA 2.021 56.881 54.840 0.033 0.000 1.311 277 L CB -1.175 40.885 42.059 0.001 0.000 3.055 277 L HN 0.189 nan 8.230 nan 0.000 1.178 278 E N -0.447 119.752 120.200 -0.001 0.000 2.340 278 E HA 0.249 4.601 4.350 0.003 0.000 0.198 278 E C 0.474 177.056 176.600 -0.030 0.000 0.961 278 E CA 0.533 56.930 56.400 -0.005 0.000 0.905 278 E CB 0.007 29.701 29.700 -0.010 0.000 0.884 278 E HN 0.428 nan 8.360 nan 0.000 0.491 279 F N 1.940 121.726 119.950 -0.273 0.000 2.578 279 F HA 0.286 4.815 4.527 0.003 0.000 0.381 279 F C -0.178 175.580 175.800 -0.070 0.000 1.069 279 F CA 0.712 58.438 58.000 -0.456 0.000 1.231 279 F CB 0.479 39.056 39.000 -0.704 0.000 1.086 279 F HN -0.090 nan 8.300 nan 0.000 0.564 280 T N 4.624 118.735 114.554 -0.739 0.000 3.159 280 T HA 0.220 4.572 4.350 0.003 0.000 0.343 280 T C 0.143 174.559 174.700 -0.473 0.000 1.364 280 T CA -0.944 60.795 62.100 -0.602 0.000 1.102 280 T CB 1.061 69.814 68.868 -0.191 0.000 1.263 280 T HN 0.663 nan 8.240 nan 0.000 0.477 281 L N 2.033 123.013 121.223 -0.405 0.000 2.270 281 L HA -0.050 4.292 4.340 0.003 0.000 0.217 281 L C 2.458 179.267 176.870 -0.101 0.000 1.107 281 L CA 2.653 57.384 54.840 -0.182 0.000 0.772 281 L CB -0.603 41.415 42.059 -0.069 0.000 0.902 281 L HN 0.966 nan 8.230 nan 0.000 0.439 282 E N -2.286 117.863 120.200 -0.086 0.000 2.166 282 E HA -0.088 4.264 4.350 0.003 0.000 0.192 282 E C 2.049 178.634 176.600 -0.025 0.000 0.967 282 E CA 0.826 57.203 56.400 -0.038 0.000 0.840 282 E CB -0.352 29.338 29.700 -0.017 0.000 0.795 282 E HN 0.433 nan 8.360 nan 0.000 0.470 283 S N 1.561 117.252 115.700 -0.015 0.000 2.383 283 S HA -0.175 4.297 4.470 0.003 0.000 0.227 283 S C 2.030 176.619 174.600 -0.018 0.000 1.026 283 S CA 0.934 59.159 58.200 0.042 0.000 0.981 283 S CB -0.613 62.654 63.200 0.112 0.000 0.818 283 S HN 0.337 nan 8.310 nan 0.000 0.472 284 L N 2.673 123.795 121.223 -0.169 0.000 1.941 284 L HA -0.094 4.248 4.340 0.003 0.000 0.224 284 L C 2.355 179.083 176.870 -0.237 0.000 1.081 284 L CA 1.945 56.413 54.840 -0.621 0.000 0.784 284 L CB -1.427 40.261 42.059 -0.617 0.000 0.894 284 L HN 0.197 nan 8.230 nan 0.000 0.436 285 V N 0.413 120.262 119.914 -0.107 0.000 2.257 285 V HA -0.421 3.700 4.120 0.003 0.000 0.257 285 V C 2.641 178.745 176.094 0.017 0.000 1.077 285 V CA 2.775 65.071 62.300 -0.007 0.000 1.063 285 V CB -0.705 31.124 31.823 0.010 0.000 0.664 285 V HN 0.617 nan 8.190 nan 0.000 0.450 286 I N -0.069 120.511 120.570 0.016 0.000 2.423 286 I HA -0.266 3.906 4.170 0.003 0.000 0.254 286 I C 2.476 178.621 176.117 0.047 0.000 1.151 286 I CA 1.419 62.747 61.300 0.046 0.000 1.421 286 I CB -0.603 37.433 38.000 0.060 0.000 1.079 286 I HN 0.343 nan 8.210 nan 0.000 0.431 287 A N 0.578 123.414 122.820 0.027 0.000 1.855 287 A HA -0.072 4.250 4.320 0.003 0.000 0.213 287 A C 2.369 179.918 177.584 -0.059 0.000 1.195 287 A CA 1.184 53.239 52.037 0.030 0.000 0.610 287 A CB -0.909 18.163 19.000 0.120 0.000 0.837 287 A HN 0.185 nan 8.150 nan 0.000 0.444 288 V N 0.515 120.386 119.914 -0.072 0.000 2.546 288 V HA -0.230 3.891 4.120 0.003 0.000 0.254 288 V C 2.639 178.815 176.094 0.137 0.000 1.076 288 V CA 2.240 64.496 62.300 -0.072 0.000 1.087 288 V CB -0.819 31.056 31.823 0.088 0.000 0.674 288 V HN 0.532 nan 8.190 nan 0.000 0.470 289 S N -0.043 115.727 115.700 0.116 0.000 2.362 289 S HA -0.133 4.339 4.470 0.003 0.000 0.221 289 S C 1.700 176.365 174.600 0.110 0.000 1.032 289 S CA 1.259 59.545 58.200 0.144 0.000 0.973 289 S CB -0.304 62.951 63.200 0.092 0.000 0.849 289 S HN 0.630 nan 8.310 nan 0.000 0.465 290 D N 1.779 122.207 120.400 0.045 0.000 2.178 290 D HA -0.006 4.636 4.640 0.003 0.000 0.202 290 D C 1.839 178.115 176.300 -0.041 0.000 0.974 290 D CA 0.582 54.582 54.000 -0.001 0.000 0.841 290 D CB -0.359 40.418 40.800 -0.038 0.000 0.953 290 D HN 0.285 nan 8.370 nan 0.000 0.478 291 L N -0.508 120.659 121.223 -0.094 0.000 2.005 291 L HA -0.140 4.202 4.340 0.003 0.000 0.207 291 L C 2.301 179.076 176.870 -0.158 0.000 1.072 291 L CA 0.878 55.598 54.840 -0.200 0.000 0.744 291 L CB -0.423 41.386 42.059 -0.417 0.000 0.895 291 L HN -0.051 nan 8.230 nan 0.000 0.433 292 F N 0.547 120.424 119.950 -0.122 0.000 2.043 292 F HA -0.204 4.325 4.527 0.003 0.000 0.297 292 F C 2.516 178.283 175.800 -0.054 0.000 1.121 292 F CA 1.793 59.743 58.000 -0.084 0.000 1.199 292 F CB -1.283 37.675 39.000 -0.069 0.000 0.968 292 F HN 0.040 nan 8.300 nan 0.000 0.478 293 G N -0.753 108.155 108.800 0.180 0.000 2.545 293 G HA2 -0.286 3.676 3.960 0.003 0.000 0.217 293 G HA3 -0.286 3.676 3.960 0.003 0.000 0.217 293 G C 1.843 176.780 174.900 0.062 0.000 1.218 293 G CA 1.363 46.527 45.100 0.107 0.000 0.787 293 G HN 0.541 nan 8.290 nan 0.000 0.571 294 A N 0.542 123.373 122.820 0.018 0.000 1.898 294 A HA 0.199 4.521 4.320 0.003 0.000 0.216 294 A C 2.713 180.291 177.584 -0.009 0.000 1.181 294 A CA 2.101 54.129 52.037 -0.015 0.000 0.620 294 A CB -1.007 17.952 19.000 -0.069 0.000 0.819 294 A HN 0.634 nan 8.150 nan 0.000 0.442 295 G N -1.810 106.977 108.800 -0.022 0.000 2.422 295 G HA2 -0.097 3.865 3.960 0.003 0.000 0.218 295 G HA3 -0.097 3.865 3.960 0.003 0.000 0.218 295 G C 1.609 176.510 174.900 0.003 0.000 1.140 295 G CA 1.690 46.773 45.100 -0.029 0.000 0.775 295 G HN 0.479 nan 8.290 nan 0.000 0.545 296 T N -0.293 114.278 114.554 0.029 0.000 2.852 296 T HA 0.016 4.367 4.350 0.003 0.000 0.256 296 T C 2.168 176.872 174.700 0.006 0.000 1.038 296 T CA 1.605 63.728 62.100 0.039 0.000 1.141 296 T CB -0.097 68.823 68.868 0.088 0.000 0.869 296 T HN 0.276 nan 8.240 nan 0.000 0.439 297 E N 0.905 121.111 120.200 0.010 0.000 2.001 297 E HA -0.112 4.240 4.350 0.003 0.000 0.195 297 E C 2.369 178.972 176.600 0.005 0.000 1.002 297 E CA 2.520 58.918 56.400 -0.002 0.000 0.819 297 E CB -0.838 28.886 29.700 0.040 0.000 0.769 297 E HN 0.666 nan 8.360 nan 0.000 0.454 298 T N -1.644 112.918 114.554 0.015 0.000 2.594 298 T HA -0.296 4.056 4.350 0.003 0.000 0.266 298 T C 2.068 176.778 174.700 0.018 0.000 1.070 298 T CA 2.591 64.694 62.100 0.005 0.000 1.166 298 T CB -1.527 67.326 68.868 -0.024 0.000 0.862 298 T HN 0.168 nan 8.240 nan 0.000 0.436 299 T N 1.467 116.042 114.554 0.036 0.000 2.720 299 T HA -0.133 4.218 4.350 0.003 0.000 0.268 299 T C 2.346 177.084 174.700 0.064 0.000 1.037 299 T CA 1.617 63.761 62.100 0.074 0.000 1.144 299 T CB -0.714 68.219 68.868 0.108 0.000 0.864 299 T HN 0.551 nan 8.240 nan 0.000 0.444 300 S N 0.448 116.159 115.700 0.018 0.000 2.355 300 S HA -0.145 4.327 4.470 0.003 0.000 0.222 300 S C 2.349 176.952 174.600 0.004 0.000 1.031 300 S CA 2.017 60.203 58.200 -0.025 0.000 0.993 300 S CB -0.802 62.340 63.200 -0.097 0.000 0.859 300 S HN 0.620 nan 8.310 nan 0.000 0.453 301 T N -0.170 114.395 114.554 0.018 0.000 3.025 301 T HA -0.039 4.313 4.350 0.003 0.000 0.270 301 T C 1.518 176.307 174.700 0.148 0.000 1.126 301 T CA 1.980 64.118 62.100 0.064 0.000 1.105 301 T CB -0.598 68.310 68.868 0.066 0.000 0.884 301 T HN 0.481 nan 8.240 nan 0.000 0.522 302 T N 1.359 115.986 114.554 0.121 0.000 2.901 302 T HA 0.269 4.621 4.350 0.003 0.000 0.252 302 T C 1.833 176.629 174.700 0.160 0.000 1.035 302 T CA 0.678 62.864 62.100 0.144 0.000 1.142 302 T CB -0.192 68.724 68.868 0.080 0.000 0.869 302 T HN 0.287 nan 8.240 nan 0.000 0.442 303 L N 0.881 122.181 121.223 0.128 0.000 2.046 303 L HA -0.039 4.303 4.340 0.003 0.000 0.208 303 L C 2.825 179.781 176.870 0.143 0.000 1.077 303 L CA 1.309 56.224 54.840 0.126 0.000 0.747 303 L CB -0.459 41.650 42.059 0.082 0.000 0.896 303 L HN 0.147 nan 8.230 nan 0.000 0.432 304 R N -0.767 119.814 120.500 0.135 0.000 2.115 304 R HA -0.210 4.132 4.340 0.003 0.000 0.230 304 R C 2.304 178.736 176.300 0.219 0.000 1.111 304 R CA 1.457 57.669 56.100 0.186 0.000 0.976 304 R CB -0.269 30.098 30.300 0.112 0.000 0.870 304 R HN 0.355 nan 8.270 nan 0.000 0.445 305 Y N 0.175 120.522 120.300 0.077 0.000 2.337 305 Y HA -0.091 4.461 4.550 0.003 0.000 0.293 305 Y C 2.406 178.276 175.900 -0.049 0.000 1.123 305 Y CA 1.034 59.143 58.100 0.015 0.000 1.201 305 Y CB 0.333 38.814 38.460 0.035 0.000 1.011 305 Y HN 0.146 nan 8.280 nan 0.000 0.545 306 S N 0.606 116.423 115.700 0.196 0.000 2.348 306 S HA -0.209 4.263 4.470 0.003 0.000 0.221 306 S C 1.908 176.517 174.600 0.015 0.000 1.033 306 S CA 1.500 59.750 58.200 0.083 0.000 1.010 306 S CB -0.543 62.716 63.200 0.099 0.000 0.891 306 S HN 0.387 nan 8.310 nan 0.000 0.442 307 L N 0.826 122.078 121.223 0.047 0.000 2.042 307 L HA -0.138 4.204 4.340 0.003 0.000 0.210 307 L C 2.470 179.215 176.870 -0.208 0.000 1.076 307 L CA 0.966 55.803 54.840 -0.004 0.000 0.749 307 L CB -0.761 41.388 42.059 0.150 0.000 0.893 307 L HN 0.286 nan 8.230 nan 0.000 0.432 308 L N 0.149 121.120 121.223 -0.420 0.000 2.042 308 L HA -0.218 4.124 4.340 0.003 0.000 0.210 308 L C 2.381 179.043 176.870 -0.347 0.000 1.076 308 L CA 1.728 56.167 54.840 -0.668 0.000 0.749 308 L CB -0.377 41.235 42.059 -0.744 0.000 0.893 308 L HN 0.096 nan 8.230 nan 0.000 0.432 309 L N -1.395 119.680 121.223 -0.246 0.000 2.093 309 L HA -0.201 4.141 4.340 0.003 0.000 0.208 309 L C 2.384 179.107 176.870 -0.245 0.000 1.085 309 L CA 1.027 55.657 54.840 -0.350 0.000 0.755 309 L CB -0.438 41.221 42.059 -0.666 0.000 0.904 309 L HN 0.285 nan 8.230 nan 0.000 0.435 310 L N -0.946 120.182 121.223 -0.158 0.000 2.217 310 L HA -0.157 4.185 4.340 0.003 0.000 0.211 310 L C 2.289 179.114 176.870 -0.075 0.000 1.107 310 L CA 0.750 55.556 54.840 -0.057 0.000 0.783 310 L CB -0.203 41.848 42.059 -0.014 0.000 0.919 310 L HN 0.267 nan 8.230 nan 0.000 0.442 311 L N -0.524 120.611 121.223 -0.148 0.000 2.131 311 L HA -0.128 4.214 4.340 0.003 0.000 0.206 311 L C 2.573 179.336 176.870 -0.179 0.000 1.087 311 L CA 0.614 55.361 54.840 -0.156 0.000 0.767 311 L CB -0.225 41.715 42.059 -0.200 0.000 0.917 311 L HN 0.118 nan 8.230 nan 0.000 0.441 312 K N -0.294 119.962 120.400 -0.241 0.000 2.097 312 K HA -0.086 4.236 4.320 0.003 0.000 0.205 312 K C 0.427 176.699 176.600 -0.547 0.000 1.050 312 K CA 1.383 57.445 56.287 -0.375 0.000 0.938 312 K CB 0.063 32.329 32.500 -0.389 0.000 0.718 312 K HN 0.279 nan 8.250 nan 0.000 0.442 313 H N -0.202 118.807 119.070 -0.103 0.000 2.448 313 H HA 0.189 4.747 4.556 0.003 0.000 0.237 313 H C -2.135 173.194 175.328 0.003 0.000 1.391 313 H CA -1.630 54.403 56.048 -0.025 0.000 1.477 313 H CB 1.418 31.198 29.762 0.030 0.000 1.520 313 H HN 0.151 nan 8.280 nan 0.000 0.502 314 P HA -0.187 nan 4.420 nan 0.000 0.226 314 P C 1.392 178.738 177.300 0.076 0.000 1.146 314 P CA 0.950 64.078 63.100 0.047 0.000 0.773 314 P CB 0.428 32.131 31.700 0.005 0.000 0.772 315 E N 0.435 120.695 120.200 0.100 0.000 2.106 315 E HA -0.092 4.259 4.350 0.003 0.000 0.192 315 E C 1.860 178.535 176.600 0.126 0.000 0.984 315 E CA 1.021 57.472 56.400 0.086 0.000 0.806 315 E CB -1.403 28.345 29.700 0.081 0.000 0.750 315 E HN 0.091 nan 8.360 nan 0.000 0.458 316 V N 2.301 122.336 119.914 0.201 0.000 2.261 316 V HA -0.243 3.879 4.120 0.003 0.000 0.246 316 V C 2.798 179.048 176.094 0.261 0.000 1.047 316 V CA 2.112 64.593 62.300 0.302 0.000 1.015 316 V CB -0.972 31.040 31.823 0.314 0.000 0.642 316 V HN 0.465 nan 8.190 nan 0.000 0.446 317 A N -0.208 122.712 122.820 0.167 0.000 1.940 317 A HA -0.152 4.170 4.320 0.003 0.000 0.219 317 A C 2.385 180.033 177.584 0.106 0.000 1.176 317 A CA 2.212 54.324 52.037 0.124 0.000 0.631 317 A CB -0.708 18.337 19.000 0.076 0.000 0.814 317 A HN 0.590 nan 8.150 nan 0.000 0.446 318 A N -0.193 122.675 122.820 0.081 0.000 1.873 318 A HA -0.124 4.198 4.320 0.003 0.000 0.215 318 A C 2.230 179.831 177.584 0.028 0.000 1.186 318 A CA 1.493 53.554 52.037 0.041 0.000 0.616 318 A CB -0.434 18.576 19.000 0.017 0.000 0.823 318 A HN 0.530 nan 8.150 nan 0.000 0.442 319 R N -0.672 119.836 120.500 0.013 0.000 2.120 319 R HA -0.051 4.291 4.340 0.003 0.000 0.234 319 R C 1.948 178.285 176.300 0.063 0.000 1.123 319 R CA 1.250 57.288 56.100 -0.104 0.000 0.975 319 R CB -0.492 29.518 30.300 -0.483 0.000 0.866 319 R HN 0.375 nan 8.270 nan 0.000 0.446 320 V N 0.978 121.043 119.914 0.252 0.000 2.343 320 V HA -0.279 3.843 4.120 0.003 0.000 0.247 320 V C 2.171 178.345 176.094 0.134 0.000 1.051 320 V CA 1.792 64.248 62.300 0.260 0.000 1.036 320 V CB -0.414 31.528 31.823 0.199 0.000 0.654 320 V HN 0.342 nan 8.190 nan 0.000 0.451 321 Q N -0.812 119.042 119.800 0.089 0.000 2.119 321 Q HA -0.188 4.154 4.340 0.003 0.000 0.201 321 Q C 2.456 178.476 176.000 0.034 0.000 0.972 321 Q CA 1.363 57.197 55.803 0.052 0.000 0.847 321 Q CB -0.179 28.583 28.738 0.039 0.000 0.903 321 Q HN 0.547 nan 8.270 nan 0.000 0.433 322 E N 1.259 121.471 120.200 0.020 0.000 2.023 322 E HA -0.278 4.073 4.350 0.003 0.000 0.196 322 E C 1.748 178.360 176.600 0.020 0.000 1.003 322 E CA 1.664 58.064 56.400 -0.001 0.000 0.809 322 E CB -0.035 29.642 29.700 -0.038 0.000 0.755 322 E HN 0.353 nan 8.360 nan 0.000 0.449 323 E N 0.094 120.319 120.200 0.041 0.000 2.097 323 E HA -0.189 4.163 4.350 0.003 0.000 0.196 323 E C 2.373 179.020 176.600 0.079 0.000 1.000 323 E CA 1.771 58.216 56.400 0.075 0.000 0.804 323 E CB -0.229 29.557 29.700 0.142 0.000 0.740 323 E HN 0.332 nan 8.360 nan 0.000 0.454 324 I N 0.237 120.850 120.570 0.072 0.000 2.113 324 I HA -0.240 3.932 4.170 0.003 0.000 0.238 324 I C 2.390 178.536 176.117 0.049 0.000 1.070 324 I CA 1.333 62.668 61.300 0.059 0.000 1.332 324 I CB -0.296 37.726 38.000 0.037 0.000 1.044 324 I HN 0.119 nan 8.210 nan 0.000 0.402 325 E N 0.640 120.860 120.200 0.034 0.000 2.085 325 E HA -0.263 4.089 4.350 0.003 0.000 0.194 325 E C 2.174 178.798 176.600 0.040 0.000 0.994 325 E CA 1.279 57.697 56.400 0.029 0.000 0.801 325 E CB -0.209 29.499 29.700 0.014 0.000 0.743 325 E HN 0.221 nan 8.360 nan 0.000 0.453 326 R N -0.254 120.268 120.500 0.038 0.000 2.081 326 R HA -0.118 4.224 4.340 0.003 0.000 0.235 326 R C 2.147 178.476 176.300 0.048 0.000 1.131 326 R CA 1.733 57.856 56.100 0.037 0.000 0.960 326 R CB -0.064 30.253 30.300 0.029 0.000 0.856 326 R HN 0.298 nan 8.270 nan 0.000 0.436 327 V N -1.548 118.404 119.914 0.062 0.000 3.307 327 V HA 0.349 4.471 4.120 0.003 0.000 0.244 327 V C 0.661 176.801 176.094 0.076 0.000 1.196 327 V CA 0.031 62.373 62.300 0.070 0.000 1.132 327 V CB 0.273 32.147 31.823 0.086 0.000 0.875 327 V HN 0.058 nan 8.190 nan 0.000 0.468 328 I N 1.541 122.158 120.570 0.080 0.000 2.577 328 I HA 0.659 4.830 4.170 0.003 0.000 0.305 328 I C 1.501 177.663 176.117 0.075 0.000 0.986 328 I CA -0.206 61.142 61.300 0.080 0.000 1.189 328 I CB 1.438 39.487 38.000 0.082 0.000 1.355 328 I HN 0.259 nan 8.210 nan 0.000 0.476 329 G N 2.941 111.794 108.800 0.089 0.000 2.313 329 G HA2 0.025 3.987 3.960 0.003 0.000 0.283 329 G HA3 0.025 3.987 3.960 0.003 0.000 0.283 329 G C 0.709 175.668 174.900 0.099 0.000 1.476 329 G CA 0.197 45.376 45.100 0.131 0.000 1.054 329 G HN 0.708 nan 8.290 nan 0.000 0.550 330 R N -2.512 118.051 120.500 0.105 0.000 2.582 330 R HA 0.163 4.505 4.340 0.003 0.000 0.285 330 R C 1.600 177.744 176.300 -0.260 0.000 0.940 330 R CA 0.038 56.073 56.100 -0.107 0.000 1.072 330 R CB 0.485 30.671 30.300 -0.191 0.000 1.527 330 R HN 0.645 nan 8.270 nan 0.000 0.538 331 H N 0.801 119.863 119.070 -0.013 0.000 2.342 331 H HA 0.134 4.692 4.556 0.003 0.000 0.334 331 H C 0.332 175.665 175.328 0.008 0.000 1.207 331 H CA 0.203 56.249 56.048 -0.004 0.000 1.810 331 H CB -0.399 29.362 29.762 -0.001 0.000 1.530 331 H HN -0.044 nan 8.280 nan 0.000 0.618 332 R N 1.960 122.560 120.500 0.166 0.000 2.740 332 R HA 0.080 4.422 4.340 0.003 0.000 0.263 332 R C -0.009 176.332 176.300 0.067 0.000 0.997 332 R CA 0.365 56.522 56.100 0.094 0.000 1.108 332 R CB -0.062 30.285 30.300 0.080 0.000 0.969 332 R HN 0.409 nan 8.270 nan 0.000 0.431 333 S N 1.431 117.164 115.700 0.056 0.000 2.655 333 S HA 0.429 4.901 4.470 0.003 0.000 0.265 333 S C -2.226 172.408 174.600 0.057 0.000 1.240 333 S CA -1.332 56.897 58.200 0.047 0.000 0.986 333 S CB 0.878 64.106 63.200 0.046 0.000 0.985 333 S HN 0.547 nan 8.310 nan 0.000 0.562 334 P HA 0.489 nan 4.420 nan 0.000 0.279 334 P C -0.762 176.608 177.300 0.118 0.000 1.252 334 P CA -0.687 62.466 63.100 0.088 0.000 0.811 334 P CB 0.442 32.162 31.700 0.033 0.000 1.035 335 C N 1.292 120.693 119.300 0.169 0.000 2.898 335 C HA 0.476 4.938 4.460 0.003 0.000 0.304 335 C C 1.637 176.736 174.990 0.181 0.000 1.237 335 C CA -0.782 58.319 59.018 0.138 0.000 1.529 335 C CB 0.596 28.388 27.740 0.086 0.000 2.021 335 C HN 0.422 nan 8.230 nan 0.000 0.474 336 M N 1.038 120.695 119.600 0.094 0.000 2.144 336 M HA -0.154 4.328 4.480 0.003 0.000 0.260 336 M C 2.104 178.339 176.300 -0.107 0.000 1.067 336 M CA 1.787 57.062 55.300 -0.042 0.000 1.095 336 M CB -1.599 30.960 32.600 -0.069 0.000 1.365 336 M HN 1.044 nan 8.290 nan 0.000 0.406 337 Q N 1.026 120.814 119.800 -0.021 0.000 2.133 337 Q HA -0.198 4.144 4.340 0.003 0.000 0.208 337 Q C 1.515 177.500 176.000 -0.024 0.000 0.991 337 Q CA 2.037 57.828 55.803 -0.020 0.000 0.867 337 Q CB -0.301 28.448 28.738 0.018 0.000 0.911 337 Q HN 0.494 nan 8.270 nan 0.000 0.417 338 D N -0.657 119.765 120.400 0.037 0.000 2.116 338 D HA -0.234 4.408 4.640 0.003 0.000 0.193 338 D C 1.757 178.071 176.300 0.024 0.000 0.998 338 D CA 1.384 55.442 54.000 0.096 0.000 0.836 338 D CB -0.364 40.589 40.800 0.255 0.000 0.951 338 D HN 0.328 nan 8.370 nan 0.000 0.449 339 R N 0.924 121.266 120.500 -0.263 0.000 2.165 339 R HA -0.224 4.118 4.340 0.003 0.000 0.254 339 R C 2.270 178.477 176.300 -0.155 0.000 1.153 339 R CA 2.293 58.100 56.100 -0.487 0.000 0.971 339 R CB -0.182 29.462 30.300 -1.094 0.000 0.878 339 R HN 0.246 nan 8.270 nan 0.000 0.449 340 S N -0.448 115.182 115.700 -0.117 0.000 2.442 340 S HA -0.088 4.384 4.470 0.003 0.000 0.236 340 S C 1.733 176.349 174.600 0.026 0.000 1.007 340 S CA 0.769 58.945 58.200 -0.040 0.000 0.965 340 S CB -0.100 63.076 63.200 -0.041 0.000 0.773 340 S HN 0.345 nan 8.310 nan 0.000 0.504 341 R N 0.187 120.714 120.500 0.045 0.000 2.466 341 R HA 0.400 4.742 4.340 0.003 0.000 0.279 341 R C -0.334 176.034 176.300 0.114 0.000 0.976 341 R CA 0.020 56.171 56.100 0.084 0.000 1.081 341 R CB 0.060 30.404 30.300 0.073 0.000 1.215 341 R HN 0.458 nan 8.270 nan 0.000 0.546 342 M N 1.013 120.689 119.600 0.126 0.000 2.720 342 M HA 0.217 4.698 4.480 0.003 0.000 0.250 342 M C -1.887 174.514 176.300 0.168 0.000 1.280 342 M CA -1.497 53.904 55.300 0.169 0.000 0.579 342 M CB 1.837 34.581 32.600 0.241 0.000 1.469 342 M HN -0.203 nan 8.290 nan 0.000 0.416 343 P HA -0.244 nan 4.420 nan 0.000 0.215 343 P C 1.225 178.610 177.300 0.142 0.000 1.157 343 P CA 1.735 64.929 63.100 0.157 0.000 0.874 343 P CB 0.068 31.886 31.700 0.196 0.000 0.790 344 Y N 1.357 121.690 120.300 0.055 0.000 2.145 344 Y HA -0.176 4.376 4.550 0.003 0.000 0.286 344 Y C 2.501 178.440 175.900 0.065 0.000 1.145 344 Y CA 2.469 60.593 58.100 0.040 0.000 1.148 344 Y CB -1.231 37.239 38.460 0.017 0.000 0.981 344 Y HN -0.085 nan 8.280 nan 0.000 0.507 345 T N -0.122 114.497 114.554 0.110 0.000 2.720 345 T HA -0.211 4.141 4.350 0.003 0.000 0.268 345 T C 1.538 176.259 174.700 0.035 0.000 1.037 345 T CA 1.691 63.831 62.100 0.067 0.000 1.144 345 T CB -0.459 68.527 68.868 0.196 0.000 0.864 345 T HN 0.363 nan 8.240 nan 0.000 0.444 346 D N 0.862 121.324 120.400 0.103 0.000 2.144 346 D HA 0.018 4.660 4.640 0.003 0.000 0.200 346 D C 2.273 178.592 176.300 0.033 0.000 0.978 346 D CA 1.076 55.147 54.000 0.119 0.000 0.833 346 D CB -0.330 40.546 40.800 0.125 0.000 0.961 346 D HN 0.354 nan 8.370 nan 0.000 0.470 347 A N 0.062 122.835 122.820 -0.078 0.000 1.908 347 A HA -0.138 4.184 4.320 0.003 0.000 0.218 347 A C 2.571 179.988 177.584 -0.278 0.000 1.181 347 A CA 1.622 53.567 52.037 -0.154 0.000 0.627 347 A CB -0.764 18.162 19.000 -0.123 0.000 0.818 347 A HN 0.190 nan 8.150 nan 0.000 0.445 348 V N 0.361 120.073 119.914 -0.338 0.000 2.237 348 V HA -0.276 3.846 4.120 0.003 0.000 0.245 348 V C 2.431 178.454 176.094 -0.119 0.000 1.046 348 V CA 2.089 64.224 62.300 -0.275 0.000 1.007 348 V CB -0.758 30.915 31.823 -0.251 0.000 0.638 348 V HN 0.586 nan 8.190 nan 0.000 0.445 349 I N -0.791 119.735 120.570 -0.073 0.000 2.248 349 I HA -0.295 3.877 4.170 0.003 0.000 0.248 349 I C 2.556 178.585 176.117 -0.146 0.000 1.107 349 I CA 1.607 62.881 61.300 -0.043 0.000 1.373 349 I CB -0.680 37.319 38.000 -0.002 0.000 1.055 349 I HN 0.434 nan 8.210 nan 0.000 0.418 350 H N 0.362 119.224 119.070 -0.347 0.000 2.293 350 H HA -0.198 4.360 4.556 0.003 0.000 0.300 350 H C 2.182 177.140 175.328 -0.616 0.000 1.082 350 H CA 1.995 57.609 56.048 -0.724 0.000 1.308 350 H CB -0.081 28.743 29.762 -1.563 0.000 1.375 350 H HN 0.277 nan 8.280 nan 0.000 0.495 351 E N 1.059 120.975 120.200 -0.473 0.000 2.160 351 E HA -0.115 4.237 4.350 0.003 0.000 0.195 351 E C 2.337 178.984 176.600 0.077 0.000 0.991 351 E CA 0.769 57.049 56.400 -0.201 0.000 0.810 351 E CB -0.432 29.035 29.700 -0.389 0.000 0.742 351 E HN 0.437 nan 8.360 nan 0.000 0.466 352 I N 0.278 120.957 120.570 0.182 0.000 2.226 352 I HA -0.297 3.874 4.170 0.003 0.000 0.245 352 I C 2.485 178.690 176.117 0.146 0.000 1.100 352 I CA 1.308 62.784 61.300 0.294 0.000 1.374 352 I CB -0.264 37.839 38.000 0.173 0.000 1.057 352 I HN 0.232 nan 8.210 nan 0.000 0.413 353 Q N -0.006 119.852 119.800 0.097 0.000 2.079 353 Q HA -0.215 4.127 4.340 0.003 0.000 0.200 353 Q C 2.354 178.380 176.000 0.044 0.000 0.974 353 Q CA 1.141 56.966 55.803 0.038 0.000 0.840 353 Q CB -0.191 28.576 28.738 0.047 0.000 0.898 353 Q HN 0.420 nan 8.270 nan 0.000 0.430 354 R N 0.110 120.698 120.500 0.147 0.000 2.073 354 R HA -0.157 4.185 4.340 0.003 0.000 0.234 354 R C 2.104 178.483 176.300 0.133 0.000 1.134 354 R CA 1.283 57.444 56.100 0.103 0.000 0.952 354 R CB -0.270 30.067 30.300 0.062 0.000 0.850 354 R HN 0.214 nan 8.270 nan 0.000 0.433 355 F N 2.012 121.970 119.950 0.012 0.000 2.146 355 F HA -0.104 4.426 4.527 0.004 0.000 0.298 355 F C 2.045 177.869 175.800 0.040 0.000 1.096 355 F CA 1.537 59.558 58.000 0.035 0.000 1.275 355 F CB -0.194 38.900 39.000 0.157 0.000 1.008 355 F HN 0.092 nan 8.300 nan 0.000 0.480 356 I N -1.581 119.054 120.570 0.109 0.000 2.830 356 I HA -0.061 4.111 4.170 0.003 0.000 0.263 356 I C 0.368 176.384 176.117 -0.168 0.000 1.230 356 I CA 0.961 62.117 61.300 -0.240 0.000 1.480 356 I CB -1.068 36.544 38.000 -0.646 0.000 1.095 356 I HN 0.124 nan 8.210 nan 0.000 0.455 357 D N 1.415 121.760 120.400 -0.092 0.000 2.886 357 D HA -0.245 4.397 4.640 0.003 0.000 0.221 357 D C 0.723 176.953 176.300 -0.116 0.000 1.227 357 D CA 0.600 54.520 54.000 -0.133 0.000 0.746 357 D CB -0.760 39.893 40.800 -0.245 0.000 0.935 357 D HN 0.528 nan 8.370 nan 0.000 0.399 358 L N 1.379 122.538 121.223 -0.107 0.000 2.079 358 L HA -0.015 4.327 4.340 0.003 0.000 0.210 358 L C 0.967 177.815 176.870 -0.037 0.000 1.081 358 L CA 1.472 56.279 54.840 -0.056 0.000 0.752 358 L CB 0.080 42.090 42.059 -0.082 0.000 0.896 358 L HN 0.441 nan 8.230 nan 0.000 0.433 359 L N 0.292 121.468 121.223 -0.079 0.000 2.495 359 L HA 0.341 4.683 4.340 0.003 0.000 0.248 359 L C -1.577 175.253 176.870 -0.066 0.000 1.229 359 L CA -1.385 53.426 54.840 -0.047 0.000 0.942 359 L CB 0.628 42.635 42.059 -0.086 0.000 1.242 359 L HN -0.124 nan 8.230 nan 0.000 0.484 360 P HA -0.174 nan 4.420 nan 0.000 0.218 360 P C 0.410 177.669 177.300 -0.068 0.000 1.165 360 P CA 1.466 64.515 63.100 -0.084 0.000 0.922 360 P CB -0.208 31.458 31.700 -0.057 0.000 0.794 361 T N -2.608 111.937 114.554 -0.015 0.000 2.771 361 T HA 0.396 4.748 4.350 0.003 0.000 0.281 361 T C 0.490 175.177 174.700 -0.021 0.000 0.982 361 T CA -0.978 61.111 62.100 -0.018 0.000 0.978 361 T CB 0.840 69.733 68.868 0.040 0.000 0.930 361 T HN 0.191 nan 8.240 nan 0.000 0.447 362 N N 3.833 122.475 118.700 -0.097 0.000 2.235 362 N HA 0.273 5.015 4.740 0.003 0.000 0.267 362 N C -0.089 175.319 175.510 -0.169 0.000 1.298 362 N CA -0.994 51.977 53.050 -0.131 0.000 0.936 362 N CB 0.167 38.568 38.487 -0.143 0.000 1.035 362 N HN 0.445 nan 8.380 nan 0.000 0.451 363 L N 0.930 122.045 121.223 -0.180 0.000 2.395 363 L HA 0.339 4.681 4.340 0.003 0.000 0.269 363 L C -1.982 174.910 176.870 0.037 0.000 1.133 363 L CA -1.940 52.787 54.840 -0.188 0.000 0.812 363 L CB 0.430 42.401 42.059 -0.146 0.000 1.125 363 L HN 0.409 nan 8.230 nan 0.000 0.452 364 P HA 0.014 nan 4.420 nan 0.000 0.265 364 P C -0.893 176.513 177.300 0.178 0.000 1.193 364 P CA 0.432 63.597 63.100 0.108 0.000 0.765 364 P CB 0.553 32.308 31.700 0.092 0.000 0.823 365 H N 0.645 119.676 119.070 -0.066 0.000 2.676 365 H HA 0.708 5.265 4.556 0.003 0.000 0.352 365 H C -0.539 174.748 175.328 -0.067 0.000 1.193 365 H CA -1.172 54.829 56.048 -0.078 0.000 1.243 365 H CB 2.333 32.044 29.762 -0.084 0.000 1.751 365 H HN 0.535 nan 8.280 nan 0.000 0.567 366 A N 1.610 124.440 122.820 0.016 0.000 2.491 366 A HA 0.324 4.646 4.320 0.003 0.000 0.293 366 A C -0.425 177.121 177.584 -0.063 0.000 1.047 366 A CA -0.695 51.325 52.037 -0.028 0.000 0.735 366 A CB 0.634 19.596 19.000 -0.063 0.000 1.281 366 A HN 0.496 nan 8.150 nan 0.000 0.398 367 V N 1.153 121.018 119.914 -0.081 0.000 2.999 367 V HA 0.543 4.664 4.120 0.003 0.000 0.307 367 V C 0.635 176.633 176.094 -0.160 0.000 1.084 367 V CA 0.994 63.183 62.300 -0.184 0.000 1.155 367 V CB 0.865 32.495 31.823 -0.321 0.000 0.975 367 V HN 1.345 nan 8.190 nan 0.000 0.490 368 T N 1.500 115.956 114.554 -0.162 0.000 3.213 368 T HA 0.710 5.062 4.350 0.003 0.000 0.240 368 T C -0.015 174.628 174.700 -0.095 0.000 1.033 368 T CA -0.094 61.940 62.100 -0.109 0.000 1.087 368 T CB -0.270 68.552 68.868 -0.077 0.000 1.119 368 T HN 1.257 nan 8.240 nan 0.000 0.571 369 R N -0.013 120.419 120.500 -0.113 0.000 4.178 369 R HA 0.062 4.404 4.340 0.003 0.000 0.231 369 R C -2.157 174.061 176.300 -0.137 0.000 0.812 369 R CA -0.216 55.830 56.100 -0.089 0.000 0.679 369 R CB -0.695 29.566 30.300 -0.064 0.000 1.783 369 R HN 0.329 nan 8.270 nan 0.000 0.406 370 D N -0.126 120.205 120.400 -0.115 0.000 2.326 370 D HA 0.632 5.274 4.640 0.003 0.000 0.251 370 D C -0.899 175.285 176.300 -0.194 0.000 1.023 370 D CA 0.362 54.251 54.000 -0.184 0.000 0.966 370 D CB 1.755 42.536 40.800 -0.031 0.000 1.156 370 D HN 0.574 nan 8.370 nan 0.000 0.494 371 V N -1.493 118.256 119.914 -0.276 0.000 2.852 371 V HA 0.495 4.617 4.120 0.003 0.000 0.300 371 V C -0.886 175.167 176.094 -0.068 0.000 1.205 371 V CA -1.265 60.925 62.300 -0.183 0.000 0.940 371 V CB 1.730 33.340 31.823 -0.355 0.000 1.047 371 V HN 0.646 nan 8.190 nan 0.000 0.429 372 R N 2.928 123.483 120.500 0.093 0.000 4.017 372 R HA 0.428 4.770 4.340 0.003 0.000 0.272 372 R C -0.624 175.817 176.300 0.235 0.000 1.516 372 R CA -0.485 55.741 56.100 0.210 0.000 1.519 372 R CB 0.258 30.686 30.300 0.213 0.000 1.422 372 R HN 0.678 nan 8.270 nan 0.000 0.719 373 F N 4.377 124.403 119.950 0.126 0.000 2.571 373 F HA -0.006 4.522 4.527 0.003 0.000 0.390 373 F C 0.661 176.612 175.800 0.252 0.000 1.043 373 F CA 0.510 58.626 58.000 0.194 0.000 1.164 373 F CB 0.196 39.355 39.000 0.266 0.000 1.049 373 F HN 0.511 nan 8.300 nan 0.000 0.552 374 R N 2.382 122.714 120.500 -0.279 0.000 3.724 374 R HA -0.349 3.993 4.340 0.003 0.000 0.526 374 R C -0.358 175.944 176.300 0.002 0.000 0.241 374 R CA 0.872 56.865 56.100 -0.178 0.000 1.638 374 R CB -1.127 29.072 30.300 -0.167 0.000 0.980 374 R HN 0.644 nan 8.270 nan 0.000 0.575 375 N N 0.909 119.558 118.700 -0.086 0.000 2.895 375 N HA 0.227 4.969 4.740 0.003 0.000 0.277 375 N C -0.418 174.865 175.510 -0.379 0.000 1.185 375 N CA 0.379 53.318 53.050 -0.185 0.000 1.106 375 N CB -0.026 38.310 38.487 -0.252 0.000 1.422 375 N HN 0.296 nan 8.380 nan 0.000 0.521 376 Y N 0.227 120.605 120.300 0.130 0.000 3.211 376 Y HA 0.329 4.881 4.550 0.003 0.000 0.149 376 Y C -0.614 175.475 175.900 0.315 0.000 0.903 376 Y CA -0.440 57.777 58.100 0.195 0.000 1.888 376 Y CB 0.321 38.911 38.460 0.216 0.000 1.355 376 Y HN 0.097 nan 8.280 nan 0.000 0.280 377 F N 0.828 120.957 119.950 0.299 0.000 2.162 377 F HA -0.022 4.506 4.527 0.002 0.000 0.528 377 F C -2.374 173.507 175.800 0.135 0.000 1.297 377 F CA -1.028 57.075 58.000 0.171 0.000 1.692 377 F CB -0.956 38.111 39.000 0.112 0.000 2.712 377 F HN -0.029 nan 8.300 nan 0.000 0.722 378 I N 8.966 129.170 120.570 -0.610 0.000 2.406 378 I HA 0.517 4.689 4.170 0.003 0.000 0.290 378 I C -2.161 173.491 176.117 -0.776 0.000 0.999 378 I CA -1.858 59.121 61.300 -0.534 0.000 1.124 378 I CB 1.886 39.731 38.000 -0.259 0.000 1.289 378 I HN 0.261 nan 8.210 nan 0.000 0.441 379 P HA 0.125 nan 4.420 nan 0.000 0.282 379 P C -0.845 176.332 177.300 -0.204 0.000 1.249 379 P CA -0.778 62.112 63.100 -0.350 0.000 0.806 379 P CB 0.991 32.628 31.700 -0.104 0.000 0.984 380 K N 1.729 122.041 120.400 -0.148 0.000 2.511 380 K HA 0.087 4.409 4.320 0.003 0.000 0.277 380 K C 1.184 177.733 176.600 -0.085 0.000 1.025 380 K CA 1.557 57.778 56.287 -0.110 0.000 1.112 380 K CB -0.969 31.491 32.500 -0.066 0.000 0.859 380 K HN 0.813 nan 8.250 nan 0.000 0.485 381 G N 2.421 111.167 108.800 -0.091 0.000 2.194 381 G HA2 -0.243 3.719 3.960 0.003 0.000 0.236 381 G HA3 -0.243 3.719 3.960 0.003 0.000 0.236 381 G C 0.092 174.949 174.900 -0.072 0.000 0.987 381 G CA 0.172 45.230 45.100 -0.070 0.000 0.635 381 G HN 0.710 nan 8.290 nan 0.000 0.520 382 T N 2.482 116.981 114.554 -0.091 0.000 2.930 382 T HA 0.401 4.753 4.350 0.003 0.000 0.306 382 T C -0.050 174.604 174.700 -0.078 0.000 1.045 382 T CA 0.184 62.230 62.100 -0.090 0.000 1.134 382 T CB 1.149 69.948 68.868 -0.115 0.000 0.961 382 T HN 0.257 nan 8.240 nan 0.000 0.545 383 D N 2.527 122.879 120.400 -0.079 0.000 2.308 383 D HA 0.244 4.886 4.640 0.003 0.000 0.251 383 D C -0.067 176.185 176.300 -0.080 0.000 1.127 383 D CA -0.196 53.766 54.000 -0.063 0.000 0.876 383 D CB 0.987 41.751 40.800 -0.061 0.000 1.176 383 D HN 0.231 nan 8.370 nan 0.000 0.446 384 I N 3.334 123.876 120.570 -0.047 0.000 2.441 384 I HA 0.419 4.590 4.170 0.003 0.000 0.295 384 I C 0.432 176.473 176.117 -0.126 0.000 0.994 384 I CA -0.856 60.382 61.300 -0.103 0.000 1.144 384 I CB 1.667 39.637 38.000 -0.049 0.000 1.314 384 I HN 0.313 nan 8.210 nan 0.000 0.445 385 I N 2.883 123.334 120.570 -0.198 0.000 2.499 385 I HA 0.572 4.744 4.170 0.003 0.000 0.288 385 I C -0.388 175.580 176.117 -0.249 0.000 1.048 385 I CA -0.410 60.783 61.300 -0.179 0.000 1.062 385 I CB 2.325 40.270 38.000 -0.093 0.000 1.238 385 I HN 0.596 nan 8.210 nan 0.000 0.426 386 T N 1.715 116.101 114.554 -0.280 0.000 2.749 386 T HA 0.281 4.633 4.350 0.003 0.000 0.287 386 T C 0.221 174.801 174.700 -0.200 0.000 0.970 386 T CA -0.566 61.362 62.100 -0.287 0.000 0.980 386 T CB 1.311 69.959 68.868 -0.368 0.000 0.924 386 T HN 0.652 nan 8.240 nan 0.000 0.456 387 S N 4.073 119.673 115.700 -0.166 0.000 3.024 387 S HA 0.148 4.619 4.470 0.003 0.000 0.316 387 S C 1.274 175.765 174.600 -0.181 0.000 1.197 387 S CA -0.772 57.343 58.200 -0.141 0.000 1.097 387 S CB -1.104 62.027 63.200 -0.115 0.000 1.471 387 S HN 0.687 nan 8.310 nan 0.000 0.543 388 L N 3.589 124.721 121.223 -0.151 0.000 2.093 388 L HA -0.047 4.295 4.340 0.003 0.000 0.208 388 L C 3.010 179.801 176.870 -0.130 0.000 1.085 388 L CA 1.505 56.266 54.840 -0.131 0.000 0.755 388 L CB -0.952 41.026 42.059 -0.134 0.000 0.904 388 L HN 0.669 nan 8.230 nan 0.000 0.435 389 T N -0.769 113.681 114.554 -0.174 0.000 2.699 389 T HA -0.252 4.100 4.350 0.003 0.000 0.268 389 T C 2.186 176.778 174.700 -0.180 0.000 1.036 389 T CA 2.106 64.046 62.100 -0.267 0.000 1.147 389 T CB -0.240 68.455 68.868 -0.289 0.000 0.862 389 T HN 0.536 nan 8.240 nan 0.000 0.446 390 S N 0.090 115.683 115.700 -0.179 0.000 2.400 390 S HA -0.069 4.402 4.470 0.003 0.000 0.232 390 S C 2.022 176.611 174.600 -0.017 0.000 1.025 390 S CA 1.524 59.603 58.200 -0.202 0.000 0.993 390 S CB -0.755 62.004 63.200 -0.735 0.000 0.808 390 S HN 0.445 nan 8.310 nan 0.000 0.478 391 V N 0.934 120.861 119.914 0.023 0.000 2.426 391 V HA 0.086 4.208 4.120 0.003 0.000 0.242 391 V C 2.465 178.763 176.094 0.339 0.000 1.036 391 V CA 0.940 63.346 62.300 0.178 0.000 1.044 391 V CB -0.799 31.087 31.823 0.106 0.000 0.688 391 V HN 0.346 nan 8.190 nan 0.000 0.462 392 L N -0.082 121.277 121.223 0.228 0.000 2.127 392 L HA -0.145 4.197 4.340 0.003 0.000 0.211 392 L C 1.940 179.058 176.870 0.414 0.000 1.089 392 L CA 1.937 56.944 54.840 0.279 0.000 0.757 392 L CB -0.948 41.183 42.059 0.119 0.000 0.899 392 L HN 0.473 nan 8.230 nan 0.000 0.434 393 H N -1.901 117.237 119.070 0.113 0.000 2.486 393 H HA 0.107 4.665 4.556 0.004 0.000 0.284 393 H C -0.040 175.375 175.328 0.144 0.000 1.103 393 H CA -0.589 55.512 56.048 0.089 0.000 1.089 393 H CB 0.443 30.206 29.762 0.001 0.000 1.603 393 H HN 0.194 nan 8.280 nan 0.000 0.557 394 D N 2.505 123.102 120.400 0.327 0.000 2.450 394 D HA -0.078 4.563 4.640 0.003 0.000 0.247 394 D C 1.188 177.522 176.300 0.057 0.000 1.162 394 D CA 0.236 54.345 54.000 0.182 0.000 0.879 394 D CB 1.119 42.034 40.800 0.193 0.000 1.163 394 D HN 0.590 nan 8.370 nan 0.000 0.472 395 E N 3.146 123.369 120.200 0.037 0.000 2.482 395 E HA -0.095 4.257 4.350 0.003 0.000 0.196 395 E C 0.815 177.374 176.600 -0.068 0.000 1.047 395 E CA 0.429 56.833 56.400 0.005 0.000 0.869 395 E CB 0.195 29.919 29.700 0.039 0.000 0.836 395 E HN 0.410 nan 8.360 nan 0.000 0.520 396 K N 0.455 120.767 120.400 -0.148 0.000 2.242 396 K HA 0.167 4.489 4.320 0.003 0.000 0.200 396 K C 2.135 178.508 176.600 -0.379 0.000 1.050 396 K CA 0.703 56.873 56.287 -0.195 0.000 0.981 396 K CB 0.216 32.626 32.500 -0.150 0.000 0.795 396 K HN 0.119 nan 8.250 nan 0.000 0.477 397 A N 0.815 123.228 122.820 -0.678 0.000 1.930 397 A HA 0.019 4.341 4.320 0.003 0.000 0.215 397 A C 0.629 177.537 177.584 -1.126 0.000 1.176 397 A CA 0.911 52.231 52.037 -1.194 0.000 0.632 397 A CB -0.059 17.665 19.000 -2.128 0.000 0.819 397 A HN 0.203 nan 8.150 nan 0.000 0.445 398 F N -0.913 118.868 119.950 -0.281 0.000 2.660 398 F HA 0.350 4.878 4.527 0.003 0.000 0.352 398 F C -1.893 173.850 175.800 -0.095 0.000 1.257 398 F CA -2.182 55.679 58.000 -0.232 0.000 1.200 398 F CB 0.958 39.667 39.000 -0.485 0.000 1.473 398 F HN 0.007 nan 8.300 nan 0.000 0.561 399 P HA -0.310 nan 4.420 nan 0.000 0.257 399 P C -0.366 177.029 177.300 0.159 0.000 0.790 399 P CA 1.657 64.837 63.100 0.134 0.000 1.099 399 P CB 0.092 31.875 31.700 0.139 0.000 0.810 400 N N -0.088 118.752 118.700 0.234 0.000 2.739 400 N HA 0.125 4.866 4.740 0.003 0.000 0.266 400 N C -1.884 173.722 175.510 0.161 0.000 1.168 400 N CA -1.021 52.129 53.050 0.166 0.000 1.055 400 N CB -0.235 38.340 38.487 0.146 0.000 1.393 400 N HN 0.298 nan 8.380 nan 0.000 0.514 401 P HA -0.176 nan 4.420 nan 0.000 0.219 401 P C 0.625 177.784 177.300 -0.235 0.000 1.146 401 P CA 1.128 64.133 63.100 -0.159 0.000 0.808 401 P CB 0.324 31.990 31.700 -0.057 0.000 0.779 402 K N -0.676 119.687 120.400 -0.062 0.000 2.505 402 K HA 0.162 4.484 4.320 0.003 0.000 0.192 402 K C 0.151 176.889 176.600 0.230 0.000 1.025 402 K CA -0.090 56.185 56.287 -0.020 0.000 1.086 402 K CB -0.197 32.328 32.500 0.041 0.000 0.840 402 K HN 0.127 nan 8.250 nan 0.000 0.514 403 V N 1.750 121.830 119.914 0.277 0.000 2.459 403 V HA 0.241 4.363 4.120 0.003 0.000 0.295 403 V C -0.486 175.811 176.094 0.338 0.000 1.029 403 V CA -1.116 61.383 62.300 0.331 0.000 0.874 403 V CB 1.244 33.200 31.823 0.222 0.000 0.985 403 V HN 0.068 nan 8.190 nan 0.000 0.438 404 F N 5.172 125.082 119.950 -0.067 0.000 2.466 404 F HA 0.528 5.056 4.527 0.003 0.000 0.363 404 F C -0.049 175.601 175.800 -0.249 0.000 1.109 404 F CA 0.025 57.791 58.000 -0.389 0.000 1.161 404 F CB 0.372 38.794 39.000 -0.963 0.000 1.117 404 F HN 0.595 nan 8.300 nan 0.000 0.539 405 D N 8.094 128.160 120.400 -0.556 0.000 2.613 405 D HA 0.289 4.931 4.640 0.003 0.000 0.230 405 D C -2.508 173.535 176.300 -0.428 0.000 1.365 405 D CA -1.986 51.746 54.000 -0.446 0.000 0.976 405 D CB 2.255 42.847 40.800 -0.348 0.000 1.415 405 D HN 0.138 nan 8.370 nan 0.000 0.589 406 P HA 0.038 nan 4.420 nan 0.000 0.223 406 P C 1.370 178.616 177.300 -0.089 0.000 1.144 406 P CA 1.012 63.931 63.100 -0.301 0.000 0.783 406 P CB 0.331 31.785 31.700 -0.410 0.000 0.771 407 G N -0.181 108.539 108.800 -0.132 0.000 2.469 407 G HA2 -0.293 3.669 3.960 0.003 0.000 0.219 407 G HA3 -0.293 3.669 3.960 0.003 0.000 0.219 407 G C 1.358 176.207 174.900 -0.084 0.000 1.150 407 G CA 0.686 45.719 45.100 -0.112 0.000 0.763 407 G HN 0.330 nan 8.290 nan 0.000 0.561 408 H N -0.691 118.382 119.070 0.005 0.000 2.520 408 H HA -0.075 4.483 4.556 0.003 0.000 0.295 408 H C 0.879 176.093 175.328 -0.190 0.000 1.096 408 H CA 0.933 56.975 56.048 -0.009 0.000 1.249 408 H CB -0.129 29.663 29.762 0.049 0.000 1.365 408 H HN 0.481 nan 8.280 nan 0.000 0.556 409 F N -0.367 119.605 119.950 0.036 0.000 2.764 409 F HA 0.310 4.839 4.527 0.003 0.000 0.310 409 F C 0.121 175.895 175.800 -0.043 0.000 1.124 409 F CA -0.045 57.937 58.000 -0.029 0.000 1.252 409 F CB 0.716 39.641 39.000 -0.125 0.000 1.010 409 F HN -0.164 nan 8.300 nan 0.000 0.518 410 L N -0.052 121.222 121.223 0.084 0.000 2.371 410 L HA 0.480 4.821 4.340 0.003 0.000 0.262 410 L C -0.991 175.904 176.870 0.041 0.000 1.006 410 L CA -1.220 53.665 54.840 0.075 0.000 0.818 410 L CB 2.226 44.328 42.059 0.072 0.000 1.354 410 L HN -0.028 nan 8.230 nan 0.000 0.415 411 D N -1.053 119.387 120.400 0.067 0.000 2.163 411 D HA 0.151 4.793 4.640 0.003 0.000 0.248 411 D C 0.108 176.422 176.300 0.024 0.000 1.035 411 D CA -0.605 53.427 54.000 0.053 0.000 0.872 411 D CB 1.421 42.287 40.800 0.111 0.000 1.183 411 D HN 0.393 nan 8.370 nan 0.000 0.445 412 E N 0.835 121.038 120.200 0.006 0.000 2.565 412 E HA 0.007 4.359 4.350 0.003 0.000 0.212 412 E C -0.593 176.004 176.600 -0.006 0.000 1.341 412 E CA 0.104 56.499 56.400 -0.010 0.000 1.236 412 E CB -0.903 28.789 29.700 -0.013 0.000 1.246 412 E HN 0.359 nan 8.360 nan 0.000 0.446 413 S N 0.030 115.727 115.700 -0.003 0.000 2.708 413 S HA 0.530 5.002 4.470 0.003 0.000 0.141 413 S C -0.183 174.355 174.600 -0.103 0.000 1.349 413 S CA 0.070 58.268 58.200 -0.004 0.000 1.206 413 S CB -0.645 62.597 63.200 0.071 0.000 1.603 413 S HN 0.576 nan 8.310 nan 0.000 0.415 414 G N 3.155 111.844 108.800 -0.184 0.000 2.781 414 G HA2 -0.178 3.784 3.960 0.003 0.000 0.683 414 G HA3 -0.178 3.784 3.960 0.003 0.000 0.683 414 G C -0.924 173.722 174.900 -0.423 0.000 1.390 414 G CA -0.845 44.034 45.100 -0.369 0.000 0.850 414 G HN 0.660 nan 8.290 nan 0.000 0.557 415 N N -0.333 118.113 118.700 -0.424 0.000 2.525 415 N HA 0.705 5.447 4.740 0.003 0.000 0.271 415 N C -0.303 174.992 175.510 -0.358 0.000 1.194 415 N CA 0.584 53.505 53.050 -0.214 0.000 0.964 415 N CB 0.567 39.033 38.487 -0.035 0.000 1.126 415 N HN 0.503 nan 8.380 nan 0.000 0.452 416 F N -0.322 119.653 119.950 0.041 0.000 2.662 416 F HA 0.073 4.602 4.527 0.003 0.000 0.319 416 F C 0.418 176.225 175.800 0.011 0.000 1.079 416 F CA -1.146 56.867 58.000 0.020 0.000 1.062 416 F CB 1.613 40.617 39.000 0.008 0.000 1.299 416 F HN 0.264 nan 8.300 nan 0.000 0.487 417 K N 2.641 123.158 120.400 0.194 0.000 2.251 417 K HA 0.287 4.609 4.320 0.003 0.000 0.247 417 K C -0.319 176.309 176.600 0.046 0.000 1.098 417 K CA 0.952 57.285 56.287 0.077 0.000 0.800 417 K CB 0.551 33.047 32.500 -0.007 0.000 1.086 417 K HN 0.740 nan 8.250 nan 0.000 0.520 418 K N -1.590 118.810 120.400 -0.000 0.000 1.609 418 K HA 0.219 4.541 4.320 0.003 0.000 0.286 418 K C -1.472 175.101 176.600 -0.046 0.000 0.772 418 K CA -0.185 56.078 56.287 -0.040 0.000 0.371 418 K CB 0.517 32.966 32.500 -0.084 0.000 2.803 418 K HN 0.707 nan 8.250 nan 0.000 0.991 419 S N 0.108 115.752 115.700 -0.093 0.000 2.971 419 S HA -0.085 4.387 4.470 0.003 0.000 0.856 419 S C -0.928 173.742 174.600 0.116 0.000 0.951 419 S CA 0.919 59.133 58.200 0.023 0.000 1.380 419 S CB -0.403 62.886 63.200 0.148 0.000 0.986 419 S HN 0.767 nan 8.310 nan 0.000 0.235 420 D N 2.021 122.550 120.400 0.216 0.000 1.996 420 D HA 0.055 4.697 4.640 0.003 0.000 0.613 420 D C 0.456 176.909 176.300 0.255 0.000 0.806 420 D CA 0.162 54.296 54.000 0.224 0.000 1.127 420 D CB -0.309 40.568 40.800 0.128 0.000 1.417 420 D HN 0.642 nan 8.370 nan 0.000 0.450 421 Y N 0.298 120.614 120.300 0.026 0.000 2.532 421 Y HA 0.215 4.766 4.550 0.003 0.000 0.283 421 Y C 0.363 176.492 175.900 0.381 0.000 1.181 421 Y CA -0.393 57.706 58.100 -0.001 0.000 1.256 421 Y CB 0.238 38.626 38.460 -0.120 0.000 1.112 421 Y HN -0.121 nan 8.280 nan 0.000 0.521 422 F N 1.802 122.018 119.950 0.444 0.000 2.619 422 F HA 0.242 4.771 4.527 0.004 0.000 0.350 422 F C 0.361 176.335 175.800 0.291 0.000 1.259 422 F CA -0.050 58.206 58.000 0.426 0.000 1.204 422 F CB -0.132 39.187 39.000 0.533 0.000 1.556 422 F HN 0.022 nan 8.300 nan 0.000 0.650 423 M N 6.884 126.451 119.600 -0.053 0.000 2.869 423 M HA 0.185 4.667 4.480 0.003 0.000 0.353 423 M C -1.531 174.648 176.300 -0.202 0.000 1.224 423 M CA -1.146 54.110 55.300 -0.073 0.000 0.917 423 M CB 0.440 33.049 32.600 0.016 0.000 1.322 423 M HN 0.178 nan 8.290 nan 0.000 0.516 424 P HA -0.065 nan 4.420 nan 0.000 0.229 424 P C 0.560 177.594 177.300 -0.443 0.000 1.160 424 P CA 1.101 63.934 63.100 -0.445 0.000 0.777 424 P CB -0.046 31.287 31.700 -0.610 0.000 0.814 425 F N -0.297 119.533 119.950 -0.199 0.000 2.660 425 F HA 0.255 4.784 4.527 0.004 0.000 0.302 425 F C 1.499 177.259 175.800 -0.067 0.000 1.103 425 F CA 0.220 58.158 58.000 -0.104 0.000 1.340 425 F CB -0.250 38.712 39.000 -0.063 0.000 1.048 425 F HN -0.074 nan 8.300 nan 0.000 0.551 426 S N 0.154 115.867 115.700 0.023 0.000 3.630 426 S HA -0.107 4.365 4.470 0.003 0.000 0.634 426 S C 0.501 175.136 174.600 0.057 0.000 2.333 426 S CA 0.423 58.628 58.200 0.008 0.000 2.607 426 S CB -1.112 62.101 63.200 0.022 0.000 0.329 426 S HN 0.844 nan 8.310 nan 0.000 1.712 427 A N -0.607 122.246 122.820 0.055 0.000 2.584 427 A HA 0.595 4.917 4.320 0.003 0.000 0.220 427 A C 0.848 178.481 177.584 0.083 0.000 1.182 427 A CA 0.987 53.069 52.037 0.074 0.000 1.043 427 A CB -0.504 18.534 19.000 0.063 0.000 1.164 427 A HN 1.735 nan 8.150 nan 0.000 0.506 428 G N 0.333 109.198 108.800 0.109 0.000 2.735 428 G HA2 0.332 4.293 3.960 0.003 0.000 0.192 428 G HA3 0.332 4.293 3.960 0.003 0.000 0.192 428 G C 0.609 175.605 174.900 0.160 0.000 1.547 428 G CA 0.089 45.276 45.100 0.144 0.000 1.080 428 G HN 0.178 nan 8.290 nan 0.000 0.569 429 K N -0.568 119.955 120.400 0.206 0.000 2.358 429 K HA 0.211 4.533 4.320 0.003 0.000 0.200 429 K C 1.539 178.360 176.600 0.368 0.000 1.030 429 K CA -0.134 56.309 56.287 0.260 0.000 1.097 429 K CB 0.687 33.384 32.500 0.327 0.000 0.862 429 K HN 0.128 nan 8.250 nan 0.000 0.534 430 R N 0.628 121.277 120.500 0.249 0.000 2.613 430 R HA 0.265 4.607 4.340 0.003 0.000 0.361 430 R C 0.294 176.688 176.300 0.156 0.000 1.072 430 R CA -0.217 55.991 56.100 0.179 0.000 1.089 430 R CB 0.418 30.647 30.300 -0.118 0.000 1.343 430 R HN 0.137 nan 8.270 nan 0.000 0.571 431 M N 0.344 120.040 119.600 0.160 0.000 2.228 431 M HA -0.051 4.431 4.480 0.003 0.000 0.303 431 M C 0.494 176.869 176.300 0.125 0.000 1.099 431 M CA 0.446 55.826 55.300 0.134 0.000 1.171 431 M CB 0.591 33.262 32.600 0.118 0.000 1.412 431 M HN 0.173 nan 8.290 nan 0.000 0.447 432 C N 2.294 121.684 119.300 0.150 0.000 2.692 432 C HA 0.065 4.526 4.460 0.003 0.000 0.409 432 C C 1.567 176.613 174.990 0.094 0.000 1.284 432 C CA -0.396 58.715 59.018 0.154 0.000 1.909 432 C CB -0.088 27.866 27.740 0.356 0.000 2.713 432 C HN 0.721 nan 8.230 nan 0.000 0.649 433 V N 4.215 124.169 119.914 0.067 0.000 3.263 433 V HA 0.195 4.316 4.120 0.003 0.000 0.248 433 V C 2.162 178.259 176.094 0.004 0.000 1.145 433 V CA 1.476 63.798 62.300 0.036 0.000 1.107 433 V CB -0.713 31.136 31.823 0.042 0.000 0.797 433 V HN 1.064 nan 8.190 nan 0.000 0.467 434 G N -0.267 108.544 108.800 0.017 0.000 2.777 434 G HA2 -0.084 3.877 3.960 0.003 0.000 0.211 434 G HA3 -0.084 3.877 3.960 0.003 0.000 0.211 434 G C 1.208 176.085 174.900 -0.038 0.000 1.149 434 G CA 0.593 45.689 45.100 -0.006 0.000 0.785 434 G HN 0.535 nan 8.290 nan 0.000 0.536 435 E N 0.661 120.806 120.200 -0.090 0.000 2.246 435 E HA -0.293 4.059 4.350 0.003 0.000 0.232 435 E C 2.409 178.740 176.600 -0.447 0.000 1.087 435 E CA 1.911 57.969 56.400 -0.570 0.000 0.964 435 E CB -0.804 28.486 29.700 -0.683 0.000 0.827 435 E HN 0.285 nan 8.360 nan 0.000 0.476 436 G N 1.336 109.981 108.800 -0.258 0.000 2.679 436 G HA2 -0.320 3.642 3.960 0.003 0.000 0.217 436 G HA3 -0.320 3.642 3.960 0.003 0.000 0.217 436 G C 1.563 176.382 174.900 -0.135 0.000 1.267 436 G CA 2.069 47.062 45.100 -0.178 0.000 0.799 436 G HN 0.459 nan 8.290 nan 0.000 0.606 437 L N 0.114 121.277 121.223 -0.100 0.000 2.265 437 L HA 0.304 4.646 4.340 0.003 0.000 0.215 437 L C 2.728 179.568 176.870 -0.051 0.000 1.117 437 L CA 1.975 56.765 54.840 -0.084 0.000 0.782 437 L CB -0.918 41.090 42.059 -0.085 0.000 0.914 437 L HN 0.235 nan 8.230 nan 0.000 0.441 438 A N 0.381 123.197 122.820 -0.006 0.000 1.873 438 A HA -0.125 4.197 4.320 0.003 0.000 0.215 438 A C 2.482 180.127 177.584 0.101 0.000 1.186 438 A CA 1.518 53.617 52.037 0.102 0.000 0.616 438 A CB -0.537 18.642 19.000 0.297 0.000 0.823 438 A HN 0.493 nan 8.150 nan 0.000 0.442 439 R N -1.137 119.381 120.500 0.028 0.000 2.159 439 R HA -0.086 4.256 4.340 0.003 0.000 0.237 439 R C 2.166 178.486 176.300 0.033 0.000 1.131 439 R CA 1.680 57.797 56.100 0.029 0.000 0.982 439 R CB -0.344 29.907 30.300 -0.082 0.000 0.868 439 R HN 0.592 nan 8.270 nan 0.000 0.453 440 M N -0.014 119.576 119.600 -0.017 0.000 2.074 440 M HA -0.127 4.355 4.480 0.003 0.000 0.258 440 M C 1.948 178.210 176.300 -0.064 0.000 1.083 440 M CA 1.577 56.866 55.300 -0.017 0.000 1.128 440 M CB -0.296 32.257 32.600 -0.080 0.000 1.301 440 M HN 0.046 nan 8.290 nan 0.000 0.417 441 E N 0.736 120.819 120.200 -0.196 0.000 2.164 441 E HA -0.274 4.078 4.350 0.003 0.000 0.206 441 E C 2.005 178.500 176.600 -0.175 0.000 1.032 441 E CA 1.574 57.696 56.400 -0.465 0.000 0.832 441 E CB -0.640 28.945 29.700 -0.191 0.000 0.742 441 E HN 0.513 nan 8.360 nan 0.000 0.460 442 L N -0.211 121.045 121.223 0.055 0.000 1.994 442 L HA -0.171 4.171 4.340 0.003 0.000 0.208 442 L C 2.580 179.517 176.870 0.112 0.000 1.071 442 L CA 1.402 56.326 54.840 0.141 0.000 0.745 442 L CB -0.524 41.621 42.059 0.144 0.000 0.892 442 L HN 0.118 nan 8.230 nan 0.000 0.431 443 F N 0.578 120.525 119.950 -0.006 0.000 2.102 443 F HA -0.209 4.320 4.527 0.003 0.000 0.298 443 F C 2.250 178.052 175.800 0.004 0.000 1.105 443 F CA 1.486 59.486 58.000 -0.000 0.000 1.239 443 F CB -0.126 38.862 39.000 -0.020 0.000 0.991 443 F HN -0.133 nan 8.300 nan 0.000 0.474 444 L N -1.009 120.180 121.223 -0.058 0.000 1.988 444 L HA -0.199 4.143 4.340 0.003 0.000 0.207 444 L C 2.499 179.319 176.870 -0.083 0.000 1.071 444 L CA 1.110 55.864 54.840 -0.144 0.000 0.744 444 L CB -0.918 41.075 42.059 -0.110 0.000 0.893 444 L HN 0.087 nan 8.230 nan 0.000 0.433 445 F N 0.320 120.263 119.950 -0.012 0.000 2.011 445 F HA -0.278 4.250 4.527 0.003 0.000 0.296 445 F C 2.471 178.269 175.800 -0.003 0.000 1.144 445 F CA 1.295 59.301 58.000 0.010 0.000 1.185 445 F CB -1.203 37.818 39.000 0.034 0.000 0.961 445 F HN -0.083 nan 8.300 nan 0.000 0.485 446 L N -0.788 120.563 121.223 0.212 0.000 1.978 446 L HA -0.345 3.997 4.340 0.003 0.000 0.218 446 L C 2.532 179.419 176.870 0.029 0.000 1.075 446 L CA 2.241 57.147 54.840 0.110 0.000 0.767 446 L CB -1.212 40.887 42.059 0.067 0.000 0.890 446 L HN 0.230 nan 8.230 nan 0.000 0.434 447 T N -0.702 113.768 114.554 -0.140 0.000 2.665 447 T HA -0.200 4.152 4.350 0.003 0.000 0.268 447 T C 1.979 176.635 174.700 -0.073 0.000 1.035 447 T CA 1.901 63.872 62.100 -0.215 0.000 1.151 447 T CB -0.152 68.345 68.868 -0.618 0.000 0.862 447 T HN 0.607 nan 8.240 nan 0.000 0.438 448 S N 1.676 117.362 115.700 -0.023 0.000 2.428 448 S HA -0.034 4.438 4.470 0.003 0.000 0.230 448 S C 2.160 176.832 174.600 0.119 0.000 1.014 448 S CA 1.056 59.284 58.200 0.045 0.000 0.957 448 S CB -0.800 62.446 63.200 0.077 0.000 0.784 448 S HN 0.795 nan 8.310 nan 0.000 0.499 449 I N -0.521 120.168 120.570 0.198 0.000 2.286 449 I HA 0.004 4.176 4.170 0.003 0.000 0.245 449 I C 2.099 178.431 176.117 0.357 0.000 1.104 449 I CA 1.272 62.796 61.300 0.374 0.000 1.397 449 I CB -0.470 37.755 38.000 0.375 0.000 1.072 449 I HN 0.189 nan 8.210 nan 0.000 0.417 450 L N 0.620 121.966 121.223 0.206 0.000 2.376 450 L HA -0.086 4.255 4.340 0.003 0.000 0.219 450 L C 2.779 179.701 176.870 0.087 0.000 1.133 450 L CA 0.882 55.815 54.840 0.155 0.000 0.816 450 L CB -0.483 41.638 42.059 0.103 0.000 0.933 450 L HN 0.489 nan 8.230 nan 0.000 0.449 451 Q N 0.232 120.059 119.800 0.046 0.000 2.096 451 Q HA -0.133 4.209 4.340 0.003 0.000 0.197 451 Q C 1.526 177.490 176.000 -0.059 0.000 0.964 451 Q CA 1.107 56.907 55.803 -0.006 0.000 0.838 451 Q CB 0.268 28.997 28.738 -0.016 0.000 0.906 451 Q HN 0.524 nan 8.270 nan 0.000 0.444 452 N N -0.999 117.625 118.700 -0.128 0.000 2.373 452 N HA 0.078 4.820 4.740 0.003 0.000 0.181 452 N C -0.710 174.450 175.510 -0.584 0.000 1.082 452 N CA 0.410 53.215 53.050 -0.407 0.000 0.885 452 N CB 0.575 38.661 38.487 -0.668 0.000 0.977 452 N HN 0.032 nan 8.380 nan 0.000 0.462 453 F N 0.459 120.473 119.950 0.107 0.000 2.599 453 F HA 0.426 4.955 4.527 0.003 0.000 0.311 453 F C 0.120 175.965 175.800 0.076 0.000 1.076 453 F CA -0.923 57.152 58.000 0.125 0.000 0.937 453 F CB 1.706 40.852 39.000 0.243 0.000 1.282 453 F HN -0.497 nan 8.300 nan 0.000 0.460 454 K N 2.315 122.880 120.400 0.275 0.000 2.182 454 K HA 0.632 4.954 4.320 0.003 0.000 0.262 454 K C -1.278 175.360 176.600 0.063 0.000 0.957 454 K CA -0.619 55.742 56.287 0.123 0.000 0.842 454 K CB 1.688 34.238 32.500 0.083 0.000 1.099 454 K HN 0.495 nan 8.250 nan 0.000 0.438 455 L N 4.036 125.248 121.223 -0.019 0.000 2.265 455 L HA 0.283 4.625 4.340 0.003 0.000 0.289 455 L C -0.153 176.642 176.870 -0.124 0.000 1.033 455 L CA -0.631 54.115 54.840 -0.156 0.000 0.814 455 L CB 1.163 43.116 42.059 -0.177 0.000 1.203 455 L HN 0.607 nan 8.230 nan 0.000 0.423 456 Q N 2.980 122.694 119.800 -0.144 0.000 2.331 456 Q HA 0.479 4.821 4.340 0.003 0.000 0.267 456 Q C -0.627 175.315 176.000 -0.097 0.000 1.006 456 Q CA -0.495 55.254 55.803 -0.091 0.000 0.818 456 Q CB 2.276 30.983 28.738 -0.052 0.000 1.276 456 Q HN 0.551 nan 8.270 nan 0.000 0.450 457 S N 2.652 118.308 115.700 -0.072 0.000 2.596 457 S HA 0.388 4.860 4.470 0.003 0.000 0.262 457 S C 0.500 175.079 174.600 -0.035 0.000 1.218 457 S CA -0.500 57.670 58.200 -0.051 0.000 0.998 457 S CB 0.198 63.365 63.200 -0.054 0.000 1.060 457 S HN 0.734 nan 8.310 nan 0.000 0.552 458 L N 0.639 121.849 121.223 -0.022 0.000 3.259 458 L HA 0.481 4.823 4.340 0.003 0.000 0.292 458 L C -1.240 175.620 176.870 -0.017 0.000 1.219 458 L CA -0.274 54.556 54.840 -0.017 0.000 1.035 458 L CB 1.026 43.078 42.059 -0.011 0.000 1.424 458 L HN 0.194 nan 8.230 nan 0.000 0.603 459 V N -0.120 119.781 119.914 -0.023 0.000 2.752 459 V HA 0.188 4.310 4.120 0.003 0.000 0.302 459 V C -0.139 175.934 176.094 -0.035 0.000 1.133 459 V CA -0.938 61.347 62.300 -0.024 0.000 0.919 459 V CB 2.495 34.306 31.823 -0.020 0.000 1.026 459 V HN 0.103 nan 8.190 nan 0.000 0.429 460 E N 4.667 124.848 120.200 -0.032 0.000 2.892 460 E HA -0.125 4.227 4.350 0.003 0.000 0.273 460 E C -1.661 174.906 176.600 -0.055 0.000 0.921 460 E CA -0.381 55.996 56.400 -0.038 0.000 0.968 460 E CB 0.644 30.327 29.700 -0.029 0.000 0.941 460 E HN 0.405 nan 8.360 nan 0.000 0.492 461 P HA -0.156 nan 4.420 nan 0.000 0.218 461 P C 0.851 178.087 177.300 -0.107 0.000 1.148 461 P CA 1.191 64.224 63.100 -0.112 0.000 0.822 461 P CB 0.269 31.892 31.700 -0.129 0.000 0.784 462 K N -0.514 119.843 120.400 -0.071 0.000 2.555 462 K HA -0.032 4.290 4.320 0.003 0.000 0.193 462 K C 0.378 176.954 176.600 -0.039 0.000 1.032 462 K CA 0.905 57.161 56.287 -0.051 0.000 1.004 462 K CB -0.404 32.078 32.500 -0.030 0.000 0.804 462 K HN 0.262 nan 8.250 nan 0.000 0.496 463 D N 0.371 120.744 120.400 -0.045 0.000 2.540 463 D HA 0.067 4.709 4.640 0.003 0.000 0.229 463 D C -0.402 175.878 176.300 -0.034 0.000 1.250 463 D CA -0.060 53.921 54.000 -0.031 0.000 0.817 463 D CB 0.639 41.425 40.800 -0.024 0.000 1.060 463 D HN 0.024 nan 8.370 nan 0.000 0.508 464 L N -0.460 120.731 121.223 -0.052 0.000 2.346 464 L HA 0.594 4.936 4.340 0.003 0.000 0.276 464 L C -0.360 176.482 176.870 -0.048 0.000 1.006 464 L CA -1.265 53.545 54.840 -0.050 0.000 0.817 464 L CB 1.055 43.075 42.059 -0.066 0.000 1.272 464 L HN -0.346 nan 8.230 nan 0.000 0.421 465 D N 2.859 123.244 120.400 -0.026 0.000 2.383 465 D HA 0.304 4.946 4.640 0.003 0.000 0.252 465 D C 0.732 177.023 176.300 -0.015 0.000 1.166 465 D CA 0.019 54.016 54.000 -0.006 0.000 0.879 465 D CB 0.842 41.645 40.800 0.005 0.000 1.164 465 D HN 0.702 nan 8.370 nan 0.000 0.462 466 I N 0.742 121.332 120.570 0.034 0.000 4.050 466 I HA 0.218 4.389 4.170 0.003 0.000 0.327 466 I C -0.244 175.997 176.117 0.206 0.000 1.473 466 I CA -0.283 61.069 61.300 0.087 0.000 1.124 466 I CB -0.632 37.438 38.000 0.118 0.000 1.129 466 I HN 0.082 nan 8.210 nan 0.000 0.428 467 T N 3.210 117.845 114.554 0.135 0.000 2.870 467 T HA 0.587 4.939 4.350 0.003 0.000 0.300 467 T C 0.610 175.386 174.700 0.127 0.000 0.989 467 T CA 0.071 62.255 62.100 0.140 0.000 1.139 467 T CB 1.396 70.315 68.868 0.085 0.000 0.920 467 T HN 0.496 nan 8.240 nan 0.000 0.537 468 A N 2.809 125.728 122.820 0.165 0.000 2.302 468 A HA 0.690 5.012 4.320 0.003 0.000 0.285 468 A C 0.311 177.940 177.584 0.075 0.000 1.105 468 A CA -0.719 51.408 52.037 0.151 0.000 0.816 468 A CB 0.484 19.622 19.000 0.231 0.000 1.067 468 A HN 0.885 nan 8.150 nan 0.000 0.489 469 V N 0.313 120.260 119.914 0.055 0.000 2.769 469 V HA 0.765 4.887 4.120 0.003 0.000 0.312 469 V C -0.491 175.624 176.094 0.035 0.000 1.058 469 V CA -0.539 61.780 62.300 0.030 0.000 0.952 469 V CB 1.790 33.623 31.823 0.017 0.000 1.019 469 V HN 0.794 nan 8.190 nan 0.000 0.445 470 V N 3.597 123.521 119.914 0.017 0.000 2.225 470 V HA 0.368 4.490 4.120 0.003 0.000 0.264 470 V C 0.799 176.889 176.094 -0.006 0.000 1.067 470 V CA -0.402 61.907 62.300 0.015 0.000 0.903 470 V CB -0.478 31.348 31.823 0.005 0.000 1.136 470 V HN 0.962 nan 8.190 nan 0.000 0.456 471 N N 3.810 122.512 118.700 0.004 0.000 2.634 471 N HA 0.077 4.819 4.740 0.003 0.000 0.312 471 N C 1.381 176.851 175.510 -0.067 0.000 1.186 471 N CA 0.783 53.822 53.050 -0.019 0.000 1.168 471 N CB 0.016 38.512 38.487 0.015 0.000 1.436 471 N HN 0.995 nan 8.380 nan 0.000 0.514 472 G N 1.205 109.930 108.800 -0.125 0.000 2.866 472 G HA2 -0.380 3.582 3.960 0.003 0.000 0.274 472 G HA3 -0.380 3.582 3.960 0.003 0.000 0.274 472 G C 0.478 175.238 174.900 -0.233 0.000 1.413 472 G CA 0.264 45.192 45.100 -0.286 0.000 0.997 472 G HN 0.388 nan 8.290 nan 0.000 0.559 473 F N 1.584 121.537 119.950 0.005 0.000 2.090 473 F HA 0.325 4.855 4.527 0.004 0.000 0.281 473 F C 1.945 177.743 175.800 -0.003 0.000 1.157 473 F CA 0.668 58.669 58.000 0.001 0.000 1.130 473 F CB -1.011 37.998 39.000 0.015 0.000 1.034 473 F HN 0.267 nan 8.300 nan 0.000 0.491 474 V N 1.687 121.759 119.914 0.263 0.000 2.726 474 V HA -0.135 3.987 4.120 0.003 0.000 0.304 474 V C 0.150 176.303 176.094 0.099 0.000 1.115 474 V CA -0.029 62.357 62.300 0.144 0.000 1.264 474 V CB -0.116 31.791 31.823 0.140 0.000 0.867 474 V HN 0.222 nan 8.190 nan 0.000 0.498 475 S N 3.734 119.491 115.700 0.094 0.000 2.430 475 S HA 0.472 4.944 4.470 0.003 0.000 0.289 475 S C -0.110 174.591 174.600 0.168 0.000 1.143 475 S CA -0.627 57.640 58.200 0.112 0.000 1.067 475 S CB 1.087 64.351 63.200 0.107 0.000 0.964 475 S HN 0.788 nan 8.310 nan 0.000 0.485 476 V N 3.183 123.168 119.914 0.118 0.000 2.472 476 V HA 0.670 4.792 4.120 0.003 0.000 0.290 476 V C -2.282 173.803 176.094 -0.015 0.000 1.037 476 V CA -2.623 59.721 62.300 0.073 0.000 0.908 476 V CB 0.953 32.801 31.823 0.043 0.000 0.985 476 V HN 0.537 nan 8.190 nan 0.000 0.454 477 P HA 0.389 nan 4.420 nan 0.000 0.273 477 P C -2.593 174.579 177.300 -0.212 0.000 1.250 477 P CA -1.192 61.577 63.100 -0.551 0.000 0.793 477 P CB 0.048 31.017 31.700 -1.219 0.000 1.011 478 P HA 0.086 nan 4.420 nan 0.000 0.291 478 P C -0.085 177.224 177.300 0.014 0.000 1.287 478 P CA 0.022 63.096 63.100 -0.043 0.000 0.767 478 P CB 0.087 31.770 31.700 -0.029 0.000 1.290 479 S N -1.033 114.692 115.700 0.041 0.000 2.454 479 S HA 0.646 5.118 4.470 0.003 0.000 0.306 479 S C -1.403 173.267 174.600 0.117 0.000 1.100 479 S CA -0.454 57.773 58.200 0.046 0.000 1.087 479 S CB -0.392 62.805 63.200 -0.005 0.000 1.019 479 S HN 0.358 nan 8.310 nan 0.000 0.480 480 Y N 1.429 121.690 120.300 -0.064 0.000 2.588 480 Y HA 0.712 5.263 4.550 0.003 0.000 0.343 480 Y C -0.903 174.969 175.900 -0.047 0.000 1.065 480 Y CA -1.096 56.967 58.100 -0.061 0.000 1.038 480 Y CB 0.963 39.376 38.460 -0.078 0.000 1.297 480 Y HN 0.438 nan 8.280 nan 0.000 0.467 481 Q N 3.159 122.944 119.800 -0.025 0.000 2.387 481 Q HA 0.791 5.133 4.340 0.003 0.000 0.273 481 Q C -1.354 174.645 176.000 -0.001 0.000 1.089 481 Q CA -1.254 54.491 55.803 -0.097 0.000 0.824 481 Q CB 3.496 32.202 28.738 -0.054 0.000 1.367 481 Q HN 0.869 nan 8.270 nan 0.000 0.443 482 L N -2.301 118.897 121.223 -0.041 0.000 2.775 482 L HA 0.750 5.092 4.340 0.003 0.000 0.263 482 L C -1.711 175.099 176.870 -0.101 0.000 1.017 482 L CA -0.928 53.868 54.840 -0.074 0.000 0.891 482 L CB 1.821 43.808 42.059 -0.119 0.000 1.482 482 L HN 0.689 nan 8.230 nan 0.000 0.410 483 C N 0.845 120.052 119.300 -0.154 0.000 2.382 483 C HA 0.632 5.094 4.460 0.003 0.000 0.327 483 C C -0.368 174.495 174.990 -0.211 0.000 1.250 483 C CA -0.314 58.657 59.018 -0.078 0.000 1.707 483 C CB 0.506 28.227 27.740 -0.031 0.000 2.272 483 C HN 0.565 nan 8.230 nan 0.000 0.506 484 F N 2.856 122.726 119.950 -0.133 0.000 2.329 484 F HA 0.412 4.941 4.527 0.003 0.000 0.362 484 F C 0.578 176.367 175.800 -0.019 0.000 1.113 484 F CA -0.419 57.434 58.000 -0.245 0.000 1.212 484 F CB 0.025 38.581 39.000 -0.740 0.000 1.509 484 F HN 0.402 nan 8.300 nan 0.000 0.546 485 I N 5.197 125.880 120.570 0.189 0.000 2.505 485 I HA 0.130 4.302 4.170 0.003 0.000 0.287 485 I C -2.085 174.254 176.117 0.370 0.000 1.104 485 I CA -1.733 59.705 61.300 0.230 0.000 1.387 485 I CB 0.235 38.304 38.000 0.116 0.000 1.404 485 I HN 0.209 nan 8.210 nan 0.000 0.528 486 P HA 0.127 nan 4.420 nan 0.000 0.266 486 P C -0.642 176.726 177.300 0.113 0.000 1.195 486 P CA 0.312 63.543 63.100 0.219 0.000 0.768 486 P CB 0.518 32.305 31.700 0.146 0.000 0.838 487 I N 3.081 123.680 120.570 0.049 0.000 2.493 487 I HA 0.541 4.713 4.170 0.003 0.000 0.298 487 I C -0.177 176.024 176.117 0.139 0.000 0.998 487 I CA -0.433 60.900 61.300 0.054 0.000 1.137 487 I CB 1.556 39.556 38.000 -0.000 0.000 1.310 487 I HN 0.412 nan 8.210 nan 0.000 0.445 488 H N 2.771 121.815 119.070 -0.042 0.000 3.153 488 H HA 0.309 4.867 4.556 0.003 0.000 0.323 488 H C -1.023 174.327 175.328 0.037 0.000 1.096 488 H CA -0.494 55.543 56.048 -0.019 0.000 1.385 488 H CB 0.974 30.728 29.762 -0.012 0.000 2.027 488 H HN 0.538 nan 8.280 nan 0.000 0.499 489 H N 0.000 119.002 119.070 -0.114 0.000 2.539 489 H HA 0.000 4.558 4.556 0.003 0.000 0.296 489 H CA 0.000 56.020 56.048 -0.047 0.000 1.023 489 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496