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 3czh_1_A DATA FIRST_RESID 38 DATA SEQUENCE GFPPGPPGLP FIGNIYSLAA SSELPHVYMR KQSQVYGEIF SLDLGGISTV DATA SEQUENCE VLNGYDVVKE CLVHQSEIFA DRPCLPLFMK MTKMGGLLNS RYGRGWVDHR DATA SEQUENCE RLAVNSFRYF GYGQKSFESK ILEETKFFND AIETYKGRPF DFKQLITNAV DATA SEQUENCE SNITNLIIFG ERFTYEDTDF QHMIELFSEN VELAASASVF LYNAFPWIGI DATA SEQUENCE LPFGKHQQLF RNAAVVYDFL SRLIEKASVN RKPQLPQHFV DAYLDEMDQG DATA SEQUENCE KNDPSSTFSK ENLIFSVGEL IIAGTETTTN VLRWAILFMA LYPNIQGQVQ DATA SEQUENCE KEIDLIMGPN GKPSWDDKCK MPYTEAVLHE VLRFCNIVPL GIFHATSEDA DATA SEQUENCE VVRGYSIPKG TTVITNLYSV HFDEKYWRDP EVFHPERFLD SSGYFAKKEA DATA SEQUENCE LVPFSLGRRH CLGEHLARME MFLFFTALLQ RFHLHFPHEL VPDLKPRLGM DATA SEQUENCE TLQPQPYLIC AERRH 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 38 G HA2 0.000 nan 3.960 nan 0.000 0.244 38 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 38 G C 0.000 175.106 174.900 0.343 0.000 0.946 38 G CA 0.000 45.240 45.100 0.234 0.000 0.502 39 F N 3.065 123.078 119.950 0.105 0.000 2.459 39 F HA 0.559 5.087 4.527 0.001 0.000 0.346 39 F C -1.627 174.121 175.800 -0.086 0.000 1.128 39 F CA -1.790 56.227 58.000 0.027 0.000 1.268 39 F CB 0.959 39.952 39.000 -0.011 0.000 1.161 39 F HN 0.079 nan 8.300 nan 0.000 0.583 40 P HA 0.138 nan 4.420 nan 0.000 0.269 40 P C -2.570 174.434 177.300 -0.495 0.000 1.209 40 P CA -0.765 61.667 63.100 -1.114 0.000 0.776 40 P CB -0.000 30.995 31.700 -1.175 0.000 0.876 41 P HA 0.433 nan 4.420 nan 0.000 0.279 41 P C -0.301 176.898 177.300 -0.168 0.000 1.276 41 P CA -0.042 63.013 63.100 -0.076 0.000 0.801 41 P CB 1.116 32.879 31.700 0.104 0.000 1.127 42 G N -0.954 107.611 108.800 -0.391 0.000 2.441 42 G HA2 0.457 4.418 3.960 0.001 0.000 0.294 42 G HA3 0.457 4.418 3.960 0.001 0.000 0.294 42 G C -3.268 171.034 174.900 -0.996 0.000 1.393 42 G CA -0.911 43.711 45.100 -0.797 0.000 0.796 42 G HN 0.355 nan 8.290 nan 0.000 0.494 43 P HA 0.320 nan 4.420 nan 0.000 0.269 43 P C -2.585 174.669 177.300 -0.076 0.000 1.215 43 P CA -0.833 62.078 63.100 -0.315 0.000 0.780 43 P CB 0.555 32.223 31.700 -0.055 0.000 0.898 44 P HA 0.446 nan 4.420 nan 0.000 0.284 44 P C -0.203 177.156 177.300 0.098 0.000 1.258 44 P CA -0.074 63.062 63.100 0.061 0.000 0.824 44 P CB 1.325 33.069 31.700 0.074 0.000 1.038 45 G N 0.726 109.582 108.800 0.094 0.000 2.866 45 G HA2 0.569 4.530 3.960 0.001 0.000 0.289 45 G HA3 0.569 4.530 3.960 0.001 0.000 0.289 45 G C -1.061 173.887 174.900 0.080 0.000 1.396 45 G CA -1.004 44.171 45.100 0.125 0.000 0.848 45 G HN 0.421 nan 8.290 nan 0.000 0.515 46 L N 1.731 122.991 121.223 0.062 0.000 2.452 46 L HA 0.297 4.638 4.340 0.001 0.000 0.267 46 L C -1.605 175.314 176.870 0.082 0.000 1.188 46 L CA -1.454 53.395 54.840 0.017 0.000 0.821 46 L CB 0.734 42.748 42.059 -0.075 0.000 1.102 46 L HN 0.287 nan 8.230 nan 0.000 0.470 47 P HA -0.052 nan 4.420 nan 0.000 0.269 47 P C 0.263 177.729 177.300 0.276 0.000 1.217 47 P CA 0.014 63.198 63.100 0.139 0.000 0.783 47 P CB 0.707 32.467 31.700 0.100 0.000 0.898 48 F N 1.018 121.031 119.950 0.105 0.000 2.537 48 F HA -0.359 4.169 4.527 0.002 0.000 0.730 48 F C 1.368 177.365 175.800 0.328 0.000 0.486 48 F CA 2.375 60.492 58.000 0.194 0.000 0.752 48 F CB -1.840 37.211 39.000 0.085 0.000 1.614 48 F HN 0.327 nan 8.300 nan 0.000 0.273 49 I N 0.026 120.720 120.570 0.206 0.000 3.251 49 I HA 0.454 4.625 4.170 0.001 0.000 0.277 49 I C 1.685 177.851 176.117 0.081 0.000 1.268 49 I CA 0.888 62.256 61.300 0.114 0.000 1.449 49 I CB -0.962 37.162 38.000 0.208 0.000 1.083 49 I HN 1.020 nan 8.210 nan 0.000 0.464 50 G N 3.209 112.068 108.800 0.097 0.000 2.651 50 G HA2 -0.429 3.532 3.960 0.001 0.000 0.315 50 G HA3 -0.429 3.532 3.960 0.001 0.000 0.315 50 G C 0.321 175.278 174.900 0.095 0.000 1.258 50 G CA 1.014 46.161 45.100 0.078 0.000 1.002 50 G HN 0.592 nan 8.290 nan 0.000 0.551 51 N N 0.806 119.541 118.700 0.058 0.000 2.461 51 N HA 0.284 5.025 4.740 0.001 0.000 0.188 51 N C 2.117 177.595 175.510 -0.054 0.000 1.134 51 N CA 0.461 53.532 53.050 0.036 0.000 0.878 51 N CB 0.058 38.576 38.487 0.052 0.000 0.972 51 N HN 0.518 nan 8.380 nan 0.000 0.456 52 I N -0.050 120.501 120.570 -0.031 0.000 2.264 52 I HA -0.332 3.839 4.170 0.001 0.000 0.248 52 I C 2.037 178.108 176.117 -0.076 0.000 1.111 52 I CA 1.160 62.408 61.300 -0.088 0.000 1.382 52 I CB -0.242 37.750 38.000 -0.013 0.000 1.060 52 I HN 0.260 nan 8.210 nan 0.000 0.418 53 Y N 1.828 122.087 120.300 -0.068 0.000 2.114 53 Y HA -0.294 4.256 4.550 0.001 0.000 0.284 53 Y C 2.783 178.615 175.900 -0.114 0.000 1.143 53 Y CA 1.858 59.924 58.100 -0.057 0.000 1.135 53 Y CB -0.463 37.995 38.460 -0.004 0.000 0.980 53 Y HN 0.067 nan 8.280 nan 0.000 0.499 54 S N 0.944 116.535 115.700 -0.181 0.000 2.359 54 S HA -0.271 4.199 4.470 0.001 0.000 0.222 54 S C 2.094 176.303 174.600 -0.653 0.000 1.038 54 S CA 1.967 59.980 58.200 -0.313 0.000 1.051 54 S CB -0.951 62.197 63.200 -0.087 0.000 0.944 54 S HN 0.493 nan 8.310 nan 0.000 0.433 55 L N 1.104 121.903 121.223 -0.706 0.000 2.012 55 L HA -0.184 4.156 4.340 0.001 0.000 0.210 55 L C 2.830 179.386 176.870 -0.523 0.000 1.073 55 L CA 1.389 55.770 54.840 -0.764 0.000 0.748 55 L CB -0.705 40.993 42.059 -0.602 0.000 0.891 55 L HN 0.368 nan 8.230 nan 0.000 0.431 56 A N -0.342 122.221 122.820 -0.429 0.000 1.930 56 A HA -0.085 4.236 4.320 0.001 0.000 0.217 56 A C 2.475 179.857 177.584 -0.336 0.000 1.175 56 A CA 1.509 53.354 52.037 -0.321 0.000 0.627 56 A CB -0.644 18.221 19.000 -0.225 0.000 0.815 56 A HN 0.399 nan 8.150 nan 0.000 0.443 57 A N -0.580 121.935 122.820 -0.508 0.000 2.015 57 A HA 0.133 4.454 4.320 0.001 0.000 0.219 57 A C 1.688 179.103 177.584 -0.281 0.000 1.163 57 A CA 1.061 52.819 52.037 -0.464 0.000 0.646 57 A CB -0.761 17.752 19.000 -0.812 0.000 0.806 57 A HN 0.520 nan 8.150 nan 0.000 0.448 58 S N -0.321 115.204 115.700 -0.292 0.000 2.563 58 S HA 0.137 4.608 4.470 0.001 0.000 0.284 58 S C 1.206 175.733 174.600 -0.123 0.000 1.331 58 S CA 0.259 58.360 58.200 -0.165 0.000 1.047 58 S CB 0.676 63.772 63.200 -0.173 0.000 0.859 58 S HN 0.393 nan 8.310 nan 0.000 0.514 59 S N 2.269 117.928 115.700 -0.069 0.000 2.496 59 S HA 0.095 4.566 4.470 0.001 0.000 0.224 59 S C 0.353 174.911 174.600 -0.069 0.000 0.996 59 S CA 0.248 58.411 58.200 -0.061 0.000 0.927 59 S CB -0.086 63.092 63.200 -0.037 0.000 0.774 59 S HN 0.665 nan 8.310 nan 0.000 0.524 60 E N 1.051 121.210 120.200 -0.068 0.000 2.283 60 E HA 0.339 4.690 4.350 0.001 0.000 0.271 60 E C -0.157 176.350 176.600 -0.155 0.000 1.031 60 E CA -0.420 55.919 56.400 -0.101 0.000 0.868 60 E CB 0.803 30.464 29.700 -0.064 0.000 1.094 60 E HN 0.231 nan 8.360 nan 0.000 0.401 61 L N 3.275 124.352 121.223 -0.244 0.000 2.467 61 L HA 0.018 4.358 4.340 0.001 0.000 0.270 61 L C -1.207 175.451 176.870 -0.352 0.000 1.205 61 L CA -1.241 53.421 54.840 -0.297 0.000 0.828 61 L CB 0.061 41.915 42.059 -0.342 0.000 1.101 61 L HN 0.279 nan 8.230 nan 0.000 0.479 62 P HA -0.236 nan 4.420 nan 0.000 0.216 62 P C 1.252 178.538 177.300 -0.023 0.000 1.154 62 P CA 1.633 64.682 63.100 -0.085 0.000 0.865 62 P CB -0.172 31.514 31.700 -0.025 0.000 0.789 63 H N -1.933 117.092 119.070 -0.076 0.000 2.428 63 H HA 0.035 4.592 4.556 0.001 0.000 0.296 63 H C 1.692 176.939 175.328 -0.135 0.000 1.062 63 H CA 0.929 56.916 56.048 -0.102 0.000 1.350 63 H CB -1.270 28.341 29.762 -0.253 0.000 1.403 63 H HN -0.021 nan 8.280 nan 0.000 0.533 64 V N 1.359 120.859 119.914 -0.690 0.000 2.270 64 V HA -0.268 3.852 4.120 0.001 0.000 0.245 64 V C 2.560 178.600 176.094 -0.088 0.000 1.043 64 V CA 1.870 63.950 62.300 -0.367 0.000 1.014 64 V CB -1.176 30.357 31.823 -0.483 0.000 0.645 64 V HN 0.338 nan 8.190 nan 0.000 0.447 65 Y N 0.564 120.753 120.300 -0.186 0.000 2.102 65 Y HA -0.360 4.191 4.550 0.002 0.000 0.280 65 Y C 2.455 178.350 175.900 -0.008 0.000 1.178 65 Y CA 2.361 60.404 58.100 -0.095 0.000 1.146 65 Y CB -0.303 38.090 38.460 -0.111 0.000 0.968 65 Y HN 0.172 nan 8.280 nan 0.000 0.504 66 M N -0.590 119.083 119.600 0.122 0.000 2.175 66 M HA -0.162 4.319 4.480 0.001 0.000 0.264 66 M C 2.444 178.840 176.300 0.160 0.000 1.063 66 M CA 1.753 57.194 55.300 0.236 0.000 1.119 66 M CB -0.287 32.527 32.600 0.358 0.000 1.377 66 M HN 0.190 nan 8.290 nan 0.000 0.415 67 R N 0.888 121.473 120.500 0.141 0.000 2.066 67 R HA -0.140 4.201 4.340 0.001 0.000 0.232 67 R C 1.989 178.289 176.300 0.000 0.000 1.131 67 R CA 1.588 57.769 56.100 0.134 0.000 0.955 67 R CB 0.005 30.443 30.300 0.230 0.000 0.851 67 R HN 0.262 nan 8.270 nan 0.000 0.432 68 K N -0.012 120.342 120.400 -0.077 0.000 2.032 68 K HA -0.169 4.152 4.320 0.001 0.000 0.209 68 K C 2.227 178.673 176.600 -0.256 0.000 1.048 68 K CA 1.561 57.759 56.287 -0.150 0.000 0.927 68 K CB -0.074 32.324 32.500 -0.169 0.000 0.712 68 K HN 0.200 nan 8.250 nan 0.000 0.441 69 Q N 0.324 119.858 119.800 -0.444 0.000 2.234 69 Q HA -0.131 4.210 4.340 0.001 0.000 0.206 69 Q C 2.166 177.824 176.000 -0.570 0.000 0.980 69 Q CA 1.795 57.243 55.803 -0.591 0.000 0.869 69 Q CB -0.303 27.834 28.738 -1.002 0.000 0.912 69 Q HN 0.411 nan 8.270 nan 0.000 0.436 70 S N -0.157 115.318 115.700 -0.375 0.000 2.428 70 S HA -0.122 4.349 4.470 0.001 0.000 0.230 70 S C 1.763 176.325 174.600 -0.063 0.000 1.014 70 S CA 0.591 58.732 58.200 -0.099 0.000 0.957 70 S CB -0.116 63.179 63.200 0.158 0.000 0.784 70 S HN 0.358 nan 8.310 nan 0.000 0.499 71 Q N 0.478 120.221 119.800 -0.095 0.000 2.291 71 Q HA 0.020 4.360 4.340 0.001 0.000 0.205 71 Q C 2.001 177.917 176.000 -0.141 0.000 0.970 71 Q CA 1.372 57.124 55.803 -0.085 0.000 0.876 71 Q CB -0.239 28.455 28.738 -0.073 0.000 0.935 71 Q HN 0.548 nan 8.270 nan 0.000 0.455 72 V N -1.241 118.534 119.914 -0.230 0.000 2.436 72 V HA -0.120 4.001 4.120 0.001 0.000 0.240 72 V C 1.056 176.849 176.094 -0.502 0.000 1.040 72 V CA 1.254 63.311 62.300 -0.405 0.000 1.052 72 V CB -0.228 31.254 31.823 -0.568 0.000 0.707 72 V HN 0.280 nan 8.190 nan 0.000 0.469 73 Y N 0.643 120.832 120.300 -0.186 0.000 2.462 73 Y HA 0.561 5.112 4.550 0.001 0.000 0.261 73 Y C 1.268 177.162 175.900 -0.010 0.000 1.146 73 Y CA 0.511 58.550 58.100 -0.102 0.000 1.283 73 Y CB 0.386 38.763 38.460 -0.138 0.000 1.090 73 Y HN 0.370 nan 8.280 nan 0.000 0.526 74 G N 0.397 109.254 108.800 0.095 0.000 2.525 74 G HA2 -0.196 3.765 3.960 0.001 0.000 0.685 74 G HA3 -0.196 3.765 3.960 0.001 0.000 0.685 74 G C 0.133 175.143 174.900 0.184 0.000 1.290 74 G CA -0.343 44.833 45.100 0.126 0.000 0.915 74 G HN 0.195 nan 8.290 nan 0.000 0.548 75 E N -0.927 119.360 120.200 0.145 0.000 2.110 75 E HA -0.047 4.303 4.350 0.001 0.000 0.193 75 E C 1.474 178.145 176.600 0.118 0.000 0.988 75 E CA 1.341 57.818 56.400 0.128 0.000 0.804 75 E CB 0.345 30.091 29.700 0.078 0.000 0.745 75 E HN 0.522 nan 8.360 nan 0.000 0.458 76 I N 0.886 121.516 120.570 0.100 0.000 2.355 76 I HA 0.288 4.459 4.170 0.001 0.000 0.288 76 I C -1.089 175.004 176.117 -0.040 0.000 0.999 76 I CA -0.932 60.353 61.300 -0.025 0.000 1.163 76 I CB 0.390 38.361 38.000 -0.048 0.000 1.316 76 I HN -0.141 nan 8.210 nan 0.000 0.454 77 F N 5.042 124.873 119.950 -0.200 0.000 2.650 77 F HA 0.819 5.347 4.527 0.001 0.000 0.320 77 F C -0.912 174.714 175.800 -0.290 0.000 1.091 77 F CA -0.793 57.055 58.000 -0.253 0.000 0.962 77 F CB 1.094 40.014 39.000 -0.134 0.000 1.363 77 F HN 0.380 nan 8.300 nan 0.000 0.482 78 S N 1.601 117.192 115.700 -0.182 0.000 2.578 78 S HA 0.859 5.329 4.470 0.001 0.000 0.301 78 S C -1.177 173.429 174.600 0.011 0.000 1.091 78 S CA -0.759 57.323 58.200 -0.197 0.000 1.032 78 S CB 1.737 64.861 63.200 -0.127 0.000 1.064 78 S HN 0.808 nan 8.310 nan 0.000 0.508 79 L N 1.000 122.220 121.223 -0.005 0.000 2.370 79 L HA 0.558 4.899 4.340 0.001 0.000 0.266 79 L C -1.126 175.778 176.870 0.057 0.000 1.002 79 L CA -0.744 54.132 54.840 0.061 0.000 0.818 79 L CB 2.153 44.242 42.059 0.051 0.000 1.325 79 L HN 0.776 nan 8.230 nan 0.000 0.418 80 D N 2.175 122.605 120.400 0.050 0.000 2.441 80 D HA 0.389 5.030 4.640 0.001 0.000 0.231 80 D C -0.891 175.410 176.300 0.002 0.000 1.073 80 D CA -0.280 53.735 54.000 0.024 0.000 0.850 80 D CB 0.892 41.706 40.800 0.023 0.000 1.062 80 D HN 0.298 nan 8.370 nan 0.000 0.524 81 L N 4.446 125.658 121.223 -0.017 0.000 2.352 81 L HA 0.418 4.759 4.340 0.001 0.000 0.272 81 L C 1.321 178.110 176.870 -0.135 0.000 1.109 81 L CA -0.701 54.129 54.840 -0.017 0.000 0.952 81 L CB 0.745 42.860 42.059 0.093 0.000 1.314 81 L HN 0.815 nan 8.230 nan 0.000 0.427 82 G N 1.686 110.388 108.800 -0.163 0.000 2.283 82 G HA2 -0.195 3.766 3.960 0.001 0.000 0.280 82 G HA3 -0.195 3.766 3.960 0.001 0.000 0.280 82 G C 0.924 175.604 174.900 -0.367 0.000 1.029 82 G CA 0.577 45.462 45.100 -0.358 0.000 0.840 82 G HN 1.121 nan 8.290 nan 0.000 0.505 83 G N -1.631 107.065 108.800 -0.173 0.000 2.213 83 G HA2 -0.202 3.759 3.960 0.001 0.000 0.226 83 G HA3 -0.202 3.759 3.960 0.001 0.000 0.226 83 G C 0.362 175.180 174.900 -0.137 0.000 0.992 83 G CA 0.100 45.125 45.100 -0.125 0.000 0.632 83 G HN 1.291 nan 8.290 nan 0.000 0.511 84 I N 3.201 123.674 120.570 -0.162 0.000 2.337 84 I HA 0.395 4.566 4.170 0.001 0.000 0.291 84 I C 1.017 177.089 176.117 -0.076 0.000 1.046 84 I CA -0.078 61.144 61.300 -0.129 0.000 1.324 84 I CB 1.384 39.293 38.000 -0.152 0.000 1.409 84 I HN 0.315 nan 8.210 nan 0.000 0.494 85 S N 4.313 119.971 115.700 -0.071 0.000 2.499 85 S HA 0.492 4.963 4.470 0.001 0.000 0.275 85 S C -0.052 174.586 174.600 0.064 0.000 1.257 85 S CA -0.485 57.704 58.200 -0.019 0.000 1.050 85 S CB 0.896 63.993 63.200 -0.171 0.000 0.937 85 S HN 0.591 nan 8.310 nan 0.000 0.490 86 T N 2.670 117.290 114.554 0.109 0.000 2.912 86 T HA 0.602 4.953 4.350 0.001 0.000 0.299 86 T C -0.291 174.383 174.700 -0.043 0.000 1.052 86 T CA -0.741 61.363 62.100 0.006 0.000 0.996 86 T CB 1.502 70.321 68.868 -0.082 0.000 1.070 86 T HN 1.110 nan 8.240 nan 0.000 0.465 87 V N 0.270 120.098 119.914 -0.144 0.000 2.715 87 V HA 0.942 5.063 4.120 0.001 0.000 0.310 87 V C -0.652 175.217 176.094 -0.374 0.000 1.054 87 V CA -0.831 61.278 62.300 -0.319 0.000 0.928 87 V CB 1.638 33.264 31.823 -0.328 0.000 1.007 87 V HN 0.658 nan 8.190 nan 0.000 0.437 88 V N 5.252 124.807 119.914 -0.598 0.000 2.459 88 V HA 0.513 4.634 4.120 0.001 0.000 0.295 88 V C -0.094 175.747 176.094 -0.422 0.000 1.029 88 V CA -0.535 61.417 62.300 -0.580 0.000 0.874 88 V CB 1.426 32.697 31.823 -0.920 0.000 0.985 88 V HN 0.829 nan 8.190 nan 0.000 0.438 89 L N 5.354 126.431 121.223 -0.244 0.000 2.287 89 L HA 0.596 4.937 4.340 0.001 0.000 0.287 89 L C -0.190 176.631 176.870 -0.082 0.000 1.022 89 L CA -0.295 54.444 54.840 -0.167 0.000 0.814 89 L CB 1.018 42.958 42.059 -0.199 0.000 1.217 89 L HN 0.648 nan 8.230 nan 0.000 0.420 90 N N 2.659 121.348 118.700 -0.017 0.000 2.258 90 N HA 0.620 5.361 4.740 0.001 0.000 0.299 90 N C -0.154 175.391 175.510 0.058 0.000 1.047 90 N CA -0.290 52.794 53.050 0.056 0.000 0.814 90 N CB 2.659 41.233 38.487 0.145 0.000 1.413 90 N HN 0.775 nan 8.380 nan 0.000 0.478 91 G N 0.680 109.530 108.800 0.083 0.000 2.716 91 G HA2 -0.321 3.640 3.960 0.001 0.000 0.686 91 G HA3 -0.321 3.640 3.960 0.001 0.000 0.686 91 G C 0.227 175.204 174.900 0.130 0.000 1.337 91 G CA -0.283 44.902 45.100 0.142 0.000 0.829 91 G HN 0.614 nan 8.290 nan 0.000 0.599 92 Y N 0.895 121.239 120.300 0.074 0.000 2.114 92 Y HA -0.179 4.371 4.550 0.001 0.000 0.282 92 Y C 2.538 178.401 175.900 -0.062 0.000 1.165 92 Y CA 2.935 61.011 58.100 -0.040 0.000 1.148 92 Y CB -0.100 38.210 38.460 -0.249 0.000 0.972 92 Y HN 0.610 nan 8.280 nan 0.000 0.504 93 D N -0.810 119.550 120.400 -0.067 0.000 2.117 93 D HA -0.157 4.484 4.640 0.001 0.000 0.197 93 D C 2.415 178.547 176.300 -0.281 0.000 0.987 93 D CA 1.725 55.613 54.000 -0.186 0.000 0.829 93 D CB -0.515 40.309 40.800 0.039 0.000 0.961 93 D HN 0.329 nan 8.370 nan 0.000 0.460 94 V N 0.687 120.488 119.914 -0.188 0.000 2.453 94 V HA -0.150 3.971 4.120 0.001 0.000 0.247 94 V C 2.621 178.517 176.094 -0.329 0.000 1.048 94 V CA 0.735 62.902 62.300 -0.222 0.000 1.049 94 V CB -0.203 31.545 31.823 -0.125 0.000 0.672 94 V HN 0.036 nan 8.190 nan 0.000 0.457 95 V N 0.441 120.172 119.914 -0.306 0.000 2.295 95 V HA -0.315 3.806 4.120 0.001 0.000 0.246 95 V C 2.435 178.271 176.094 -0.430 0.000 1.049 95 V CA 2.555 64.656 62.300 -0.332 0.000 1.024 95 V CB -0.653 31.038 31.823 -0.219 0.000 0.648 95 V HN 0.612 nan 8.190 nan 0.000 0.447 96 K N 0.122 120.193 120.400 -0.549 0.000 2.097 96 K HA -0.211 4.110 4.320 0.001 0.000 0.205 96 K C 2.027 178.210 176.600 -0.696 0.000 1.050 96 K CA 1.804 57.738 56.287 -0.589 0.000 0.938 96 K CB -0.162 31.858 32.500 -0.800 0.000 0.718 96 K HN 0.541 nan 8.250 nan 0.000 0.442 97 E N -0.197 119.542 120.200 -0.769 0.000 2.150 97 E HA -0.165 4.186 4.350 0.001 0.000 0.193 97 E C 1.962 178.223 176.600 -0.565 0.000 0.985 97 E CA 1.279 57.162 56.400 -0.861 0.000 0.814 97 E CB 0.049 29.449 29.700 -0.499 0.000 0.752 97 E HN 0.417 nan 8.360 nan 0.000 0.466 98 C N -0.001 118.917 119.300 -0.636 0.000 2.602 98 C HA 0.064 4.525 4.460 0.001 0.000 0.282 98 C C 2.460 177.075 174.990 -0.625 0.000 1.313 98 C CA 0.035 58.466 59.018 -0.978 0.000 1.699 98 C CB -0.711 26.158 27.740 -1.451 0.000 2.124 98 C HN 0.381 nan 8.230 nan 0.000 0.509 99 L N 0.614 121.562 121.223 -0.458 0.000 2.217 99 L HA -0.044 4.296 4.340 0.001 0.000 0.211 99 L C 2.177 178.986 176.870 -0.103 0.000 1.107 99 L CA 1.117 55.814 54.840 -0.238 0.000 0.783 99 L CB -0.484 41.438 42.059 -0.228 0.000 0.919 99 L HN 0.282 nan 8.230 nan 0.000 0.442 100 V N -1.776 118.067 119.914 -0.118 0.000 2.743 100 V HA -0.083 4.038 4.120 0.001 0.000 0.237 100 V C 2.093 178.260 176.094 0.121 0.000 1.113 100 V CA 0.604 62.914 62.300 0.017 0.000 1.141 100 V CB -0.436 31.413 31.823 0.043 0.000 0.873 100 V HN 0.356 nan 8.190 nan 0.000 0.486 101 H N 0.312 119.336 119.070 -0.076 0.000 2.428 101 H HA 0.030 4.587 4.556 0.001 0.000 0.296 101 H C 0.981 176.310 175.328 0.001 0.000 1.062 101 H CA 0.883 56.908 56.048 -0.038 0.000 1.350 101 H CB 0.346 30.076 29.762 -0.053 0.000 1.403 101 H HN 0.418 nan 8.280 nan 0.000 0.533 102 Q N 1.251 121.130 119.800 0.132 0.000 2.404 102 Q HA 0.086 4.427 4.340 0.001 0.000 0.368 102 Q C 1.092 177.201 176.000 0.181 0.000 0.939 102 Q CA -0.194 55.715 55.803 0.177 0.000 1.099 102 Q CB 1.045 29.961 28.738 0.297 0.000 1.284 102 Q HN 0.386 nan 8.270 nan 0.000 0.421 103 S N 0.036 115.797 115.700 0.101 0.000 2.370 103 S HA -0.203 4.268 4.470 0.001 0.000 0.226 103 S C 1.520 176.105 174.600 -0.026 0.000 1.033 103 S CA 1.030 59.262 58.200 0.054 0.000 1.011 103 S CB 0.057 63.294 63.200 0.063 0.000 0.852 103 S HN 0.342 nan 8.310 nan 0.000 0.457 104 E N 1.457 121.649 120.200 -0.013 0.000 2.107 104 E HA 0.105 4.455 4.350 0.001 0.000 0.191 104 E C 2.104 178.608 176.600 -0.161 0.000 0.982 104 E CA 0.751 57.088 56.400 -0.104 0.000 0.809 104 E CB -0.503 29.247 29.700 0.083 0.000 0.756 104 E HN 0.634 nan 8.360 nan 0.000 0.459 105 I N -0.271 120.269 120.570 -0.050 0.000 2.439 105 I HA -0.182 3.989 4.170 0.001 0.000 0.251 105 I C 1.280 177.199 176.117 -0.329 0.000 1.139 105 I CA 0.910 62.115 61.300 -0.159 0.000 1.438 105 I CB -0.051 37.873 38.000 -0.126 0.000 1.085 105 I HN -0.070 nan 8.210 nan 0.000 0.427 106 F N -0.005 119.868 119.950 -0.127 0.000 2.641 106 F HA 0.344 4.872 4.527 0.001 0.000 0.302 106 F C 1.852 177.625 175.800 -0.044 0.000 1.098 106 F CA -0.098 57.847 58.000 -0.091 0.000 1.318 106 F CB -0.073 38.853 39.000 -0.123 0.000 1.035 106 F HN -0.105 nan 8.300 nan 0.000 0.551 107 A N -1.197 121.514 122.820 -0.182 0.000 2.278 107 A HA 0.057 4.378 4.320 0.001 0.000 0.212 107 A C 0.801 178.130 177.584 -0.424 0.000 1.213 107 A CA 0.148 51.932 52.037 -0.421 0.000 0.840 107 A CB -0.367 17.951 19.000 -1.137 0.000 0.866 107 A HN 0.123 nan 8.150 nan 0.000 0.489 108 D N -0.018 120.255 120.400 -0.211 0.000 2.466 108 D HA 0.385 5.025 4.640 0.001 0.000 0.262 108 D C -0.071 176.161 176.300 -0.112 0.000 1.177 108 D CA -0.244 53.682 54.000 -0.123 0.000 1.035 108 D CB 0.706 41.475 40.800 -0.051 0.000 1.105 108 D HN 0.004 nan 8.370 nan 0.000 0.551 109 R N 0.686 121.148 120.500 -0.063 0.000 2.740 109 R HA 0.460 4.801 4.340 0.001 0.000 0.282 109 R C -2.250 174.096 176.300 0.076 0.000 0.969 109 R CA -1.841 54.250 56.100 -0.014 0.000 0.918 109 R CB 1.441 31.709 30.300 -0.053 0.000 1.175 109 R HN 0.346 nan 8.270 nan 0.000 0.464 110 P HA 0.168 nan 4.420 nan 0.000 0.280 110 P C -0.217 177.176 177.300 0.154 0.000 1.244 110 P CA -0.360 62.826 63.100 0.143 0.000 0.784 110 P CB 0.643 32.448 31.700 0.174 0.000 0.913 111 C N 4.572 123.909 119.300 0.062 0.000 3.247 111 C HA 0.207 4.668 4.460 0.001 0.000 0.573 111 C C 1.168 176.136 174.990 -0.036 0.000 1.106 111 C CA -0.420 58.622 59.018 0.040 0.000 1.209 111 C CB -2.479 25.268 27.740 0.012 0.000 1.460 111 C HN 0.408 nan 8.230 nan 0.000 0.634 112 L N 2.371 123.529 121.223 -0.108 0.000 2.426 112 L HA 0.172 4.513 4.340 0.001 0.000 0.271 112 L C -1.043 175.693 176.870 -0.223 0.000 1.169 112 L CA -1.281 53.381 54.840 -0.297 0.000 0.836 112 L CB 0.376 42.040 42.059 -0.659 0.000 1.112 112 L HN 0.125 nan 8.230 nan 0.000 0.465 113 P HA -0.258 nan 4.420 nan 0.000 0.218 113 P C 1.595 178.942 177.300 0.078 0.000 1.154 113 P CA 1.152 64.192 63.100 -0.101 0.000 0.872 113 P CB 0.179 31.704 31.700 -0.291 0.000 0.790 114 L N -1.408 119.865 121.223 0.083 0.000 2.012 114 L HA -0.151 4.190 4.340 0.001 0.000 0.210 114 L C 2.299 179.289 176.870 0.201 0.000 1.073 114 L CA 1.845 56.796 54.840 0.185 0.000 0.748 114 L CB -1.345 40.739 42.059 0.040 0.000 0.891 114 L HN -0.066 nan 8.230 nan 0.000 0.431 115 F N -1.514 118.435 119.950 -0.001 0.000 2.146 115 F HA -0.229 4.299 4.527 0.001 0.000 0.298 115 F C 2.418 178.172 175.800 -0.076 0.000 1.096 115 F CA 0.787 58.754 58.000 -0.055 0.000 1.275 115 F CB -0.320 38.640 39.000 -0.067 0.000 1.008 115 F HN 0.091 nan 8.300 nan 0.000 0.480 116 M N 0.485 120.162 119.600 0.128 0.000 2.108 116 M HA -0.241 4.240 4.480 0.001 0.000 0.261 116 M C 2.231 178.532 176.300 0.001 0.000 1.066 116 M CA 1.718 57.042 55.300 0.039 0.000 1.107 116 M CB -0.321 32.290 32.600 0.018 0.000 1.356 116 M HN -0.022 nan 8.290 nan 0.000 0.406 117 K N -0.159 120.248 120.400 0.012 0.000 2.097 117 K HA -0.139 4.181 4.320 0.001 0.000 0.205 117 K C 1.889 178.449 176.600 -0.066 0.000 1.050 117 K CA 1.138 57.398 56.287 -0.045 0.000 0.938 117 K CB 0.183 32.633 32.500 -0.084 0.000 0.718 117 K HN 0.207 nan 8.250 nan 0.000 0.442 118 M N 0.066 119.640 119.600 -0.043 0.000 2.191 118 M HA -0.043 4.437 4.480 0.001 0.000 0.262 118 M C 1.921 177.991 176.300 -0.382 0.000 1.083 118 M CA 1.812 57.054 55.300 -0.098 0.000 1.154 118 M CB -0.399 32.193 32.600 -0.013 0.000 1.344 118 M HN 0.308 nan 8.290 nan 0.000 0.431 119 T N -4.041 110.205 114.554 -0.513 0.000 3.144 119 T HA 0.269 4.620 4.350 0.001 0.000 0.290 119 T C 0.360 174.770 174.700 -0.483 0.000 0.966 119 T CA -0.319 61.116 62.100 -1.108 0.000 0.907 119 T CB 0.127 68.450 68.868 -0.908 0.000 1.152 119 T HN 0.382 nan 8.240 nan 0.000 0.532 120 K N 2.405 122.690 120.400 -0.192 0.000 3.020 120 K HA -0.202 4.119 4.320 0.001 0.000 0.266 120 K C 0.209 176.795 176.600 -0.022 0.000 1.067 120 K CA 0.607 56.870 56.287 -0.040 0.000 0.780 120 K CB -1.675 30.852 32.500 0.044 0.000 1.220 120 K HN 0.416 nan 8.250 nan 0.000 0.483 121 M N -3.344 116.225 119.600 -0.051 0.000 2.612 121 M HA -0.208 4.273 4.480 0.001 0.000 0.194 121 M C 0.787 177.078 176.300 -0.015 0.000 0.530 121 M CA 1.731 57.016 55.300 -0.025 0.000 0.548 121 M CB -2.848 29.761 32.600 0.015 0.000 2.013 121 M HN 0.548 nan 8.290 nan 0.000 0.711 122 G N -0.967 107.820 108.800 -0.022 0.000 2.945 122 G HA2 0.724 4.685 3.960 0.001 0.000 0.156 122 G HA3 0.724 4.685 3.960 0.001 0.000 0.156 122 G C 0.861 175.753 174.900 -0.014 0.000 1.375 122 G CA 0.520 45.632 45.100 0.019 0.000 1.039 122 G HN 1.094 nan 8.290 nan 0.000 0.586 123 G N -0.843 107.971 108.800 0.022 0.000 2.614 123 G HA2 -0.081 3.880 3.960 0.001 0.000 0.303 123 G HA3 -0.081 3.880 3.960 0.001 0.000 0.303 123 G C 0.762 175.568 174.900 -0.158 0.000 1.270 123 G CA 1.378 46.474 45.100 -0.006 0.000 0.988 123 G HN 1.635 nan 8.290 nan 0.000 0.551 124 L N -1.502 119.740 121.223 0.031 0.000 2.775 124 L HA 0.566 4.907 4.340 0.001 0.000 0.175 124 L C 2.448 179.413 176.870 0.159 0.000 1.110 124 L CA 1.643 56.551 54.840 0.113 0.000 0.862 124 L CB -0.760 41.380 42.059 0.135 0.000 1.381 124 L HN 0.755 nan 8.230 nan 0.000 0.499 125 L N 0.481 121.743 121.223 0.066 0.000 2.012 125 L HA -0.132 4.209 4.340 0.001 0.000 0.210 125 L C 0.867 177.684 176.870 -0.088 0.000 1.073 125 L CA 1.794 56.633 54.840 -0.002 0.000 0.748 125 L CB -0.207 41.818 42.059 -0.057 0.000 0.891 125 L HN 0.423 nan 8.230 nan 0.000 0.431 126 N N -0.403 118.214 118.700 -0.140 0.000 2.273 126 N HA 0.077 4.817 4.740 0.001 0.000 0.231 126 N C -0.285 175.165 175.510 -0.100 0.000 1.134 126 N CA 0.074 52.993 53.050 -0.220 0.000 0.856 126 N CB 0.353 38.580 38.487 -0.433 0.000 1.068 126 N HN 0.174 nan 8.380 nan 0.000 0.510 127 S N 0.979 116.677 115.700 -0.004 0.000 2.564 127 S HA 0.182 4.653 4.470 0.001 0.000 0.278 127 S C 0.553 175.169 174.600 0.027 0.000 1.333 127 S CA -0.548 57.680 58.200 0.047 0.000 1.048 127 S CB 0.634 63.935 63.200 0.168 0.000 0.900 127 S HN 0.083 nan 8.310 nan 0.000 0.505 128 R N 2.326 122.845 120.500 0.032 0.000 2.698 128 R HA -0.012 4.329 4.340 0.001 0.000 0.266 128 R C -0.373 175.961 176.300 0.057 0.000 1.026 128 R CA 0.066 56.186 56.100 0.033 0.000 1.102 128 R CB -0.264 30.059 30.300 0.039 0.000 0.978 128 R HN 0.741 nan 8.270 nan 0.000 0.436 129 Y N 1.023 121.238 120.300 -0.141 0.000 2.569 129 Y HA 0.279 4.830 4.550 0.001 0.000 0.332 129 Y C 0.772 176.667 175.900 -0.008 0.000 1.120 129 Y CA 1.533 59.520 58.100 -0.189 0.000 1.416 129 Y CB 0.091 38.406 38.460 -0.243 0.000 1.210 129 Y HN 0.788 nan 8.280 nan 0.000 0.528 130 G N 4.981 113.627 108.800 -0.257 0.000 2.323 130 G HA2 0.033 3.994 3.960 0.001 0.000 0.291 130 G HA3 0.033 3.994 3.960 0.001 0.000 0.291 130 G C -0.103 174.783 174.900 -0.024 0.000 1.278 130 G CA -0.414 44.589 45.100 -0.162 0.000 0.860 130 G HN 0.598 nan 8.290 nan 0.000 0.504 131 R N -0.453 120.035 120.500 -0.020 0.000 2.091 131 R HA -0.010 4.331 4.340 0.001 0.000 0.238 131 R C 2.474 178.776 176.300 0.003 0.000 1.136 131 R CA 2.993 59.086 56.100 -0.011 0.000 0.959 131 R CB -0.880 29.406 30.300 -0.023 0.000 0.856 131 R HN 0.705 nan 8.270 nan 0.000 0.437 132 G N -0.207 108.614 108.800 0.035 0.000 2.418 132 G HA2 -0.314 3.646 3.960 0.001 0.000 0.217 132 G HA3 -0.314 3.646 3.960 0.001 0.000 0.217 132 G C 1.164 176.161 174.900 0.163 0.000 1.158 132 G CA 0.676 45.815 45.100 0.065 0.000 0.771 132 G HN 0.613 nan 8.290 nan 0.000 0.545 133 W N 1.106 122.400 121.300 -0.009 0.000 2.379 133 W HA -0.074 4.587 4.660 0.001 0.000 0.307 133 W C 2.409 178.961 176.519 0.055 0.000 1.200 133 W CA 1.704 59.063 57.345 0.023 0.000 1.297 133 W CB -0.446 29.025 29.460 0.018 0.000 1.140 133 W HN 0.024 nan 8.180 nan 0.000 0.507 134 V N 1.468 121.336 119.914 -0.078 0.000 2.324 134 V HA -0.356 3.764 4.120 0.001 0.000 0.250 134 V C 2.146 178.086 176.094 -0.256 0.000 1.060 134 V CA 2.460 64.586 62.300 -0.290 0.000 1.042 134 V CB -0.989 30.805 31.823 -0.048 0.000 0.650 134 V HN 0.131 nan 8.190 nan 0.000 0.450 135 D N -1.009 119.297 120.400 -0.157 0.000 2.097 135 D HA -0.154 4.487 4.640 0.001 0.000 0.195 135 D C 2.110 178.320 176.300 -0.149 0.000 0.989 135 D CA 1.709 55.595 54.000 -0.189 0.000 0.827 135 D CB -0.284 40.195 40.800 -0.536 0.000 0.966 135 D HN 0.588 nan 8.370 nan 0.000 0.456 136 H N -0.139 118.825 119.070 -0.177 0.000 2.363 136 H HA 0.036 4.593 4.556 0.001 0.000 0.301 136 H C 2.048 177.345 175.328 -0.052 0.000 1.074 136 H CA 1.223 57.278 56.048 0.012 0.000 1.354 136 H CB 0.037 29.840 29.762 0.068 0.000 1.397 136 H HN -0.074 nan 8.280 nan 0.000 0.516 137 R N 1.246 121.601 120.500 -0.240 0.000 2.097 137 R HA -0.158 4.183 4.340 0.001 0.000 0.236 137 R C 2.383 178.566 176.300 -0.194 0.000 1.135 137 R CA 1.901 57.765 56.100 -0.393 0.000 0.934 137 R CB -0.239 29.436 30.300 -1.043 0.000 0.846 137 R HN 0.256 nan 8.270 nan 0.000 0.431 138 R N -0.213 120.175 120.500 -0.187 0.000 2.096 138 R HA -0.179 4.162 4.340 0.001 0.000 0.240 138 R C 2.222 178.532 176.300 0.017 0.000 1.139 138 R CA 1.953 58.008 56.100 -0.076 0.000 0.952 138 R CB -0.616 29.644 30.300 -0.067 0.000 0.854 138 R HN 0.340 nan 8.270 nan 0.000 0.436 139 L N 0.640 121.907 121.223 0.074 0.000 2.012 139 L HA -0.124 4.217 4.340 0.001 0.000 0.210 139 L C 2.308 179.379 176.870 0.335 0.000 1.073 139 L CA 2.301 57.237 54.840 0.160 0.000 0.748 139 L CB -0.708 41.448 42.059 0.162 0.000 0.891 139 L HN 0.323 nan 8.230 nan 0.000 0.431 140 A N -1.431 121.600 122.820 0.352 0.000 1.898 140 A HA -0.116 4.205 4.320 0.001 0.000 0.216 140 A C 2.257 179.957 177.584 0.192 0.000 1.181 140 A CA 1.815 54.036 52.037 0.306 0.000 0.620 140 A CB -1.057 17.970 19.000 0.044 0.000 0.819 140 A HN 0.295 nan 8.150 nan 0.000 0.442 141 V N 1.112 121.062 119.914 0.061 0.000 2.295 141 V HA -0.268 3.853 4.120 0.001 0.000 0.246 141 V C 2.294 178.453 176.094 0.109 0.000 1.049 141 V CA 2.210 64.538 62.300 0.047 0.000 1.024 141 V CB -0.952 30.875 31.823 0.005 0.000 0.648 141 V HN 0.554 nan 8.190 nan 0.000 0.447 142 N N 0.087 118.843 118.700 0.094 0.000 2.188 142 N HA -0.110 4.631 4.740 0.001 0.000 0.184 142 N C 2.072 177.629 175.510 0.079 0.000 1.018 142 N CA 1.659 54.740 53.050 0.052 0.000 0.858 142 N CB -0.366 38.123 38.487 0.004 0.000 0.989 142 N HN 0.391 nan 8.380 nan 0.000 0.426 143 S N 0.351 116.201 115.700 0.250 0.000 2.383 143 S HA 0.023 4.494 4.470 0.001 0.000 0.227 143 S C 1.622 176.377 174.600 0.258 0.000 1.026 143 S CA 0.529 58.976 58.200 0.411 0.000 0.981 143 S CB -0.239 63.410 63.200 0.748 0.000 0.818 143 S HN 0.212 nan 8.310 nan 0.000 0.472 144 F N 2.252 122.192 119.950 -0.017 0.000 2.186 144 F HA 0.007 4.534 4.527 0.001 0.000 0.299 144 F C 2.436 177.817 175.800 -0.699 0.000 1.090 144 F CA 0.819 58.684 58.000 -0.225 0.000 1.307 144 F CB -0.299 38.648 39.000 -0.088 0.000 1.019 144 F HN 0.068 nan 8.300 nan 0.000 0.489 145 R N -1.088 119.137 120.500 -0.459 0.000 2.061 145 R HA -0.203 4.138 4.340 0.001 0.000 0.230 145 R C 2.184 178.196 176.300 -0.480 0.000 1.140 145 R CA 1.851 57.558 56.100 -0.656 0.000 0.940 145 R CB -1.396 28.762 30.300 -0.237 0.000 0.839 145 R HN 0.314 nan 8.270 nan 0.000 0.429 146 Y N 0.832 120.860 120.300 -0.453 0.000 2.163 146 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 146 Y C 1.757 177.298 175.900 -0.599 0.000 1.136 146 Y CA 1.621 59.392 58.100 -0.549 0.000 1.147 146 Y CB -0.240 37.785 38.460 -0.726 0.000 0.987 146 Y HN -0.091 nan 8.280 nan 0.000 0.509 147 F N -0.579 119.295 119.950 -0.126 0.000 2.797 147 F HA 0.224 4.752 4.527 0.001 0.000 0.302 147 F C 1.676 177.201 175.800 -0.458 0.000 1.130 147 F CA 0.284 58.160 58.000 -0.207 0.000 1.387 147 F CB -0.002 38.963 39.000 -0.058 0.000 1.107 147 F HN 0.102 nan 8.300 nan 0.000 0.577 148 G N -0.486 107.941 108.800 -0.623 0.000 3.069 148 G HA2 0.041 4.002 3.960 0.001 0.000 0.205 148 G HA3 0.041 4.002 3.960 0.001 0.000 0.205 148 G C 0.432 174.593 174.900 -1.232 0.000 1.771 148 G CA 0.014 44.303 45.100 -1.352 0.000 0.739 148 G HN 0.246 nan 8.290 nan 0.000 0.784 149 Y N 0.853 120.721 120.300 -0.719 0.000 2.616 149 Y HA 0.283 4.833 4.550 0.001 0.000 0.296 149 Y C 2.236 178.083 175.900 -0.087 0.000 1.154 149 Y CA 0.183 58.147 58.100 -0.227 0.000 1.325 149 Y CB -0.782 37.689 38.460 0.018 0.000 1.007 149 Y HN 0.231 nan 8.280 nan 0.000 0.542 150 G N 0.049 108.724 108.800 -0.210 0.000 2.650 150 G HA2 -0.039 3.922 3.960 0.001 0.000 0.214 150 G HA3 -0.039 3.922 3.960 0.001 0.000 0.214 150 G C 0.450 175.282 174.900 -0.113 0.000 1.136 150 G CA -0.193 44.841 45.100 -0.111 0.000 0.789 150 G HN 0.424 nan 8.290 nan 0.000 0.536 151 Q N -0.374 119.345 119.800 -0.135 0.000 2.257 151 Q HA 0.470 4.811 4.340 0.001 0.000 0.255 151 Q C 1.411 177.442 176.000 0.052 0.000 0.920 151 Q CA -0.086 55.668 55.803 -0.081 0.000 0.927 151 Q CB 1.584 30.255 28.738 -0.112 0.000 1.229 151 Q HN 0.198 nan 8.270 nan 0.000 0.433 152 K N 1.064 121.488 120.400 0.040 0.000 2.113 152 K HA -0.198 4.123 4.320 0.001 0.000 0.208 152 K C 1.858 178.513 176.600 0.092 0.000 1.047 152 K CA 2.414 58.743 56.287 0.070 0.000 0.928 152 K CB -0.974 31.552 32.500 0.043 0.000 0.716 152 K HN 0.745 nan 8.250 nan 0.000 0.446 153 S N -1.165 114.586 115.700 0.086 0.000 2.607 153 S HA 0.065 4.536 4.470 0.001 0.000 0.224 153 S C 1.748 176.421 174.600 0.121 0.000 0.969 153 S CA 0.667 58.918 58.200 0.084 0.000 0.927 153 S CB -0.472 62.766 63.200 0.063 0.000 0.772 153 S HN 0.483 nan 8.310 nan 0.000 0.533 154 F N 2.586 122.542 119.950 0.010 0.000 2.128 154 F HA 0.128 4.656 4.527 0.001 0.000 0.295 154 F C 2.392 178.204 175.800 0.021 0.000 1.100 154 F CA 1.487 59.495 58.000 0.013 0.000 1.260 154 F CB -0.474 38.535 39.000 0.016 0.000 1.009 154 F HN 0.283 nan 8.300 nan 0.000 0.476 155 E N -0.115 120.105 120.200 0.033 0.000 2.118 155 E HA -0.247 4.104 4.350 0.001 0.000 0.195 155 E C 2.266 178.803 176.600 -0.106 0.000 0.992 155 E CA 1.661 58.031 56.400 -0.050 0.000 0.804 155 E CB -0.194 29.555 29.700 0.080 0.000 0.741 155 E HN 0.506 nan 8.360 nan 0.000 0.458 156 S N 0.272 115.937 115.700 -0.058 0.000 2.402 156 S HA -0.146 4.325 4.470 0.001 0.000 0.229 156 S C 1.740 176.279 174.600 -0.102 0.000 1.021 156 S CA 1.052 59.219 58.200 -0.056 0.000 0.974 156 S CB -0.167 63.023 63.200 -0.016 0.000 0.800 156 S HN 0.188 nan 8.310 nan 0.000 0.484 157 K N 1.019 121.317 120.400 -0.170 0.000 2.097 157 K HA 0.127 4.448 4.320 0.001 0.000 0.205 157 K C 2.008 178.466 176.600 -0.237 0.000 1.050 157 K CA 1.487 57.656 56.287 -0.198 0.000 0.938 157 K CB -0.423 31.922 32.500 -0.259 0.000 0.718 157 K HN 0.429 nan 8.250 nan 0.000 0.442 158 I N 0.932 121.284 120.570 -0.364 0.000 2.179 158 I HA -0.278 3.892 4.170 0.001 0.000 0.242 158 I C 2.093 178.065 176.117 -0.243 0.000 1.088 158 I CA 0.870 61.988 61.300 -0.303 0.000 1.357 158 I CB -0.283 37.528 38.000 -0.314 0.000 1.051 158 I HN 0.125 nan 8.210 nan 0.000 0.409 159 L N 0.748 121.865 121.223 -0.176 0.000 2.042 159 L HA -0.235 4.106 4.340 0.001 0.000 0.210 159 L C 2.496 179.318 176.870 -0.079 0.000 1.076 159 L CA 2.009 56.776 54.840 -0.122 0.000 0.749 159 L CB -1.225 40.793 42.059 -0.067 0.000 0.893 159 L HN 0.372 nan 8.230 nan 0.000 0.432 160 E N -0.552 119.614 120.200 -0.056 0.000 2.110 160 E HA -0.269 4.082 4.350 0.001 0.000 0.193 160 E C 2.023 178.701 176.600 0.131 0.000 0.988 160 E CA 1.179 57.564 56.400 -0.024 0.000 0.804 160 E CB 0.068 29.781 29.700 0.021 0.000 0.745 160 E HN 0.336 nan 8.360 nan 0.000 0.458 161 E N 0.070 120.378 120.200 0.180 0.000 2.077 161 E HA -0.172 4.179 4.350 0.001 0.000 0.193 161 E C 2.160 179.000 176.600 0.401 0.000 0.989 161 E CA 1.948 58.565 56.400 0.363 0.000 0.800 161 E CB -0.284 29.598 29.700 0.303 0.000 0.746 161 E HN 0.355 nan 8.360 nan 0.000 0.452 162 T N -1.878 112.720 114.554 0.073 0.000 2.759 162 T HA -0.199 4.152 4.350 0.001 0.000 0.269 162 T C 2.040 176.933 174.700 0.321 0.000 1.042 162 T CA 1.826 64.039 62.100 0.189 0.000 1.140 162 T CB -0.359 68.452 68.868 -0.094 0.000 0.864 162 T HN 0.042 nan 8.240 nan 0.000 0.455 163 K N 0.200 120.686 120.400 0.143 0.000 2.001 163 K HA 0.069 4.390 4.320 0.001 0.000 0.208 163 K C 2.048 178.703 176.600 0.092 0.000 1.048 163 K CA 1.204 57.519 56.287 0.047 0.000 0.932 163 K CB -1.317 31.105 32.500 -0.130 0.000 0.715 163 K HN 0.682 nan 8.250 nan 0.000 0.437 164 F N -0.197 119.841 119.950 0.147 0.000 2.091 164 F HA -0.112 4.416 4.527 0.002 0.000 0.299 164 F C 2.171 178.180 175.800 0.348 0.000 1.103 164 F CA 2.011 60.078 58.000 0.112 0.000 1.228 164 F CB -0.507 38.460 39.000 -0.054 0.000 0.984 164 F HN 0.260 nan 8.300 nan 0.000 0.477 165 F N 1.516 121.812 119.950 0.578 0.000 2.051 165 F HA -0.222 4.306 4.527 0.001 0.000 0.296 165 F C 2.224 178.244 175.800 0.366 0.000 1.122 165 F CA 1.736 60.060 58.000 0.540 0.000 1.201 165 F CB -0.901 38.451 39.000 0.587 0.000 0.978 165 F HN -0.168 nan 8.300 nan 0.000 0.472 166 N N 0.872 119.667 118.700 0.158 0.000 2.166 166 N HA -0.173 4.568 4.740 0.001 0.000 0.186 166 N C 1.434 177.044 175.510 0.167 0.000 1.019 166 N CA 1.571 54.699 53.050 0.129 0.000 0.856 166 N CB -0.738 37.943 38.487 0.323 0.000 0.993 166 N HN 0.350 nan 8.380 nan 0.000 0.426 167 D N 0.575 121.062 120.400 0.146 0.000 2.149 167 D HA -0.067 4.574 4.640 0.001 0.000 0.198 167 D C 1.783 178.131 176.300 0.080 0.000 0.990 167 D CA 1.159 55.224 54.000 0.108 0.000 0.839 167 D CB -0.319 40.527 40.800 0.077 0.000 0.948 167 D HN 0.257 nan 8.370 nan 0.000 0.460 168 A N 0.513 123.394 122.820 0.100 0.000 1.898 168 A HA -0.107 4.213 4.320 0.001 0.000 0.216 168 A C 2.363 179.904 177.584 -0.072 0.000 1.181 168 A CA 0.768 52.841 52.037 0.060 0.000 0.620 168 A CB -0.649 18.485 19.000 0.223 0.000 0.819 168 A HN 0.190 nan 8.150 nan 0.000 0.442 169 I N -0.488 119.963 120.570 -0.199 0.000 2.163 169 I HA -0.258 3.913 4.170 0.001 0.000 0.243 169 I C 2.533 178.552 176.117 -0.163 0.000 1.085 169 I CA 1.826 62.919 61.300 -0.345 0.000 1.347 169 I CB -0.314 37.253 38.000 -0.722 0.000 1.044 169 I HN 0.394 nan 8.210 nan 0.000 0.408 170 E N 1.173 121.398 120.200 0.042 0.000 2.160 170 E HA -0.238 4.113 4.350 0.001 0.000 0.195 170 E C 2.065 178.689 176.600 0.041 0.000 0.991 170 E CA 2.111 58.618 56.400 0.179 0.000 0.810 170 E CB -0.408 29.437 29.700 0.242 0.000 0.742 170 E HN 0.573 nan 8.360 nan 0.000 0.466 171 T N -2.290 112.228 114.554 -0.059 0.000 2.929 171 T HA -0.191 4.160 4.350 0.001 0.000 0.271 171 T C 1.581 176.119 174.700 -0.270 0.000 1.085 171 T CA 1.190 63.189 62.100 -0.169 0.000 1.125 171 T CB -0.660 68.056 68.868 -0.254 0.000 0.874 171 T HN 0.272 nan 8.240 nan 0.000 0.494 172 Y N 1.551 121.682 120.300 -0.281 0.000 2.561 172 Y HA 0.223 4.773 4.550 0.001 0.000 0.291 172 Y C 0.905 176.731 175.900 -0.123 0.000 1.141 172 Y CA 0.031 57.953 58.100 -0.298 0.000 1.303 172 Y CB 0.020 38.117 38.460 -0.605 0.000 1.015 172 Y HN 0.015 nan 8.280 nan 0.000 0.547 173 K N 0.167 120.604 120.400 0.062 0.000 3.148 173 K HA -0.244 4.076 4.320 0.001 0.000 0.267 173 K C 1.098 177.766 176.600 0.113 0.000 0.996 173 K CA 0.876 57.211 56.287 0.080 0.000 0.737 173 K CB -2.152 30.372 32.500 0.040 0.000 1.308 173 K HN 0.711 nan 8.250 nan 0.000 0.470 174 G N -0.517 108.370 108.800 0.144 0.000 2.184 174 G HA2 -0.395 3.566 3.960 0.001 0.000 0.264 174 G HA3 -0.395 3.566 3.960 0.001 0.000 0.264 174 G C 0.279 175.255 174.900 0.127 0.000 0.975 174 G CA 0.746 45.935 45.100 0.149 0.000 0.642 174 G HN 0.459 nan 8.290 nan 0.000 0.536 175 R N 1.430 122.013 120.500 0.138 0.000 2.594 175 R HA 0.378 4.719 4.340 0.001 0.000 0.272 175 R C -2.042 174.355 176.300 0.162 0.000 1.074 175 R CA -1.089 55.090 56.100 0.131 0.000 1.105 175 R CB 0.418 30.803 30.300 0.141 0.000 1.008 175 R HN 0.180 nan 8.270 nan 0.000 0.472 176 P HA 0.038 nan 4.420 nan 0.000 0.271 176 P C -1.081 176.308 177.300 0.149 0.000 1.216 176 P CA 0.345 63.486 63.100 0.068 0.000 0.771 176 P CB 0.339 32.036 31.700 -0.005 0.000 0.864 177 F N -0.467 119.363 119.950 -0.200 0.000 2.713 177 F HA 0.498 5.025 4.527 0.001 0.000 0.311 177 F C -1.344 174.339 175.800 -0.194 0.000 1.141 177 F CA -1.311 56.513 58.000 -0.293 0.000 0.939 177 F CB 1.098 39.635 39.000 -0.772 0.000 1.325 177 F HN 0.040 nan 8.300 nan 0.000 0.453 178 D N 1.584 121.842 120.400 -0.237 0.000 2.295 178 D HA 0.232 4.872 4.640 0.001 0.000 0.248 178 D C 0.257 176.398 176.300 -0.265 0.000 1.154 178 D CA -0.047 53.768 54.000 -0.309 0.000 0.857 178 D CB 0.723 41.413 40.800 -0.183 0.000 1.117 178 D HN 0.601 nan 8.370 nan 0.000 0.468 179 F N 2.392 121.948 119.950 -0.656 0.000 2.661 179 F HA -0.031 4.497 4.527 0.001 0.000 0.298 179 F C 2.442 178.137 175.800 -0.175 0.000 1.137 179 F CA 0.037 57.808 58.000 -0.381 0.000 1.454 179 F CB 0.299 39.087 39.000 -0.353 0.000 1.103 179 F HN 0.366 nan 8.300 nan 0.000 0.577 180 K N 0.597 120.960 120.400 -0.063 0.000 2.034 180 K HA -0.328 3.993 4.320 0.001 0.000 0.214 180 K C 2.187 178.760 176.600 -0.044 0.000 1.051 180 K CA 2.014 58.255 56.287 -0.077 0.000 0.931 180 K CB -0.171 32.255 32.500 -0.122 0.000 0.715 180 K HN 0.127 nan 8.250 nan 0.000 0.446 181 Q N 0.892 120.675 119.800 -0.027 0.000 2.030 181 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 181 Q C 2.088 178.053 176.000 -0.057 0.000 0.986 181 Q CA 1.827 57.614 55.803 -0.028 0.000 0.843 181 Q CB -0.329 28.410 28.738 0.000 0.000 0.904 181 Q HN 0.420 nan 8.270 nan 0.000 0.420 182 L N -0.306 120.906 121.223 -0.018 0.000 2.012 182 L HA -0.210 4.131 4.340 0.001 0.000 0.210 182 L C 2.399 179.239 176.870 -0.050 0.000 1.073 182 L CA 1.278 56.095 54.840 -0.038 0.000 0.748 182 L CB -0.543 41.598 42.059 0.137 0.000 0.891 182 L HN 0.318 nan 8.230 nan 0.000 0.431 183 I N -0.616 119.956 120.570 0.003 0.000 2.208 183 I HA -0.294 3.877 4.170 0.001 0.000 0.245 183 I C 2.513 178.452 176.117 -0.297 0.000 1.097 183 I CA 1.642 62.776 61.300 -0.277 0.000 1.363 183 I CB -0.653 37.254 38.000 -0.156 0.000 1.051 183 I HN 0.288 nan 8.210 nan 0.000 0.413 184 T N 0.842 115.299 114.554 -0.163 0.000 2.684 184 T HA -0.157 4.194 4.350 0.001 0.000 0.267 184 T C 1.700 176.356 174.700 -0.074 0.000 1.036 184 T CA 1.639 63.674 62.100 -0.108 0.000 1.148 184 T CB -0.422 68.409 68.868 -0.062 0.000 0.863 184 T HN 0.303 nan 8.240 nan 0.000 0.436 185 N N 1.838 120.468 118.700 -0.117 0.000 2.018 185 N HA -0.092 4.649 4.740 0.001 0.000 0.196 185 N C 2.197 177.686 175.510 -0.036 0.000 1.043 185 N CA 1.633 54.624 53.050 -0.098 0.000 0.856 185 N CB -0.951 37.247 38.487 -0.482 0.000 1.042 185 N HN 0.452 nan 8.380 nan 0.000 0.423 186 A N 0.845 123.559 122.820 -0.177 0.000 1.865 186 A HA -0.118 4.203 4.320 0.001 0.000 0.217 186 A C 2.596 180.163 177.584 -0.028 0.000 1.191 186 A CA 1.838 53.873 52.037 -0.002 0.000 0.623 186 A CB -0.963 17.864 19.000 -0.289 0.000 0.826 186 A HN 0.136 nan 8.150 nan 0.000 0.444 187 V N 0.916 120.678 119.914 -0.254 0.000 2.358 187 V HA -0.223 3.898 4.120 0.001 0.000 0.246 187 V C 3.012 179.138 176.094 0.054 0.000 1.047 187 V CA 2.319 64.536 62.300 -0.139 0.000 1.035 187 V CB -0.846 30.846 31.823 -0.218 0.000 0.658 187 V HN 0.833 nan 8.190 nan 0.000 0.452 188 S N 0.675 116.428 115.700 0.089 0.000 2.383 188 S HA -0.256 4.215 4.470 0.001 0.000 0.229 188 S C 1.819 176.536 174.600 0.195 0.000 1.030 188 S CA 1.670 59.994 58.200 0.206 0.000 1.002 188 S CB -0.728 62.691 63.200 0.364 0.000 0.829 188 S HN 0.573 nan 8.310 nan 0.000 0.467 189 N N 1.956 120.749 118.700 0.154 0.000 2.205 189 N HA -0.027 4.714 4.740 0.001 0.000 0.186 189 N C 1.551 177.108 175.510 0.078 0.000 1.015 189 N CA 1.273 54.372 53.050 0.082 0.000 0.862 189 N CB -0.526 38.024 38.487 0.106 0.000 0.986 189 N HN 0.396 nan 8.380 nan 0.000 0.429 190 I N 0.813 121.467 120.570 0.139 0.000 2.226 190 I HA -0.182 3.989 4.170 0.001 0.000 0.245 190 I C 2.288 178.501 176.117 0.159 0.000 1.100 190 I CA 1.397 62.787 61.300 0.151 0.000 1.374 190 I CB -1.858 36.267 38.000 0.208 0.000 1.057 190 I HN 0.247 nan 8.210 nan 0.000 0.413 191 T N -1.388 113.246 114.554 0.133 0.000 2.942 191 T HA -0.030 4.321 4.350 0.001 0.000 0.265 191 T C 1.717 176.400 174.700 -0.028 0.000 1.062 191 T CA 0.664 62.801 62.100 0.061 0.000 1.139 191 T CB -0.452 68.500 68.868 0.141 0.000 0.883 191 T HN 0.131 nan 8.240 nan 0.000 0.468 192 N N 2.004 120.726 118.700 0.038 0.000 2.132 192 N HA -0.045 4.696 4.740 0.001 0.000 0.191 192 N C 1.822 177.279 175.510 -0.088 0.000 1.015 192 N CA 1.146 54.205 53.050 0.014 0.000 0.864 192 N CB -0.608 37.815 38.487 -0.107 0.000 1.006 192 N HN 0.442 nan 8.380 nan 0.000 0.430 193 L N 0.296 121.486 121.223 -0.056 0.000 2.046 193 L HA -0.106 4.235 4.340 0.001 0.000 0.208 193 L C 2.112 178.973 176.870 -0.015 0.000 1.077 193 L CA 0.937 55.774 54.840 -0.005 0.000 0.747 193 L CB -0.347 41.782 42.059 0.116 0.000 0.896 193 L HN 0.094 nan 8.230 nan 0.000 0.432 194 I N -0.652 119.862 120.570 -0.094 0.000 2.439 194 I HA -0.232 3.939 4.170 0.001 0.000 0.251 194 I C 2.230 178.198 176.117 -0.248 0.000 1.139 194 I CA 1.238 62.403 61.300 -0.225 0.000 1.438 194 I CB 0.036 37.680 38.000 -0.593 0.000 1.085 194 I HN 0.154 nan 8.210 nan 0.000 0.427 195 I N -0.948 119.422 120.570 -0.335 0.000 2.556 195 I HA -0.107 4.064 4.170 0.001 0.000 0.251 195 I C 1.418 177.162 176.117 -0.622 0.000 1.105 195 I CA 1.088 62.101 61.300 -0.478 0.000 1.436 195 I CB 0.044 37.571 38.000 -0.788 0.000 1.139 195 I HN 0.046 nan 8.210 nan 0.000 0.438 196 F N 0.441 120.238 119.950 -0.254 0.000 2.678 196 F HA 0.375 4.903 4.527 0.001 0.000 0.305 196 F C 1.727 177.323 175.800 -0.339 0.000 1.090 196 F CA 0.154 57.904 58.000 -0.416 0.000 1.272 196 F CB -0.130 38.775 39.000 -0.158 0.000 1.060 196 F HN 0.145 nan 8.300 nan 0.000 0.576 197 G N 1.003 109.799 108.800 -0.006 0.000 2.162 197 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 197 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 197 G C 0.077 174.992 174.900 0.025 0.000 0.976 197 G CA 0.558 45.732 45.100 0.125 0.000 0.655 197 G HN 0.508 nan 8.290 nan 0.000 0.533 198 E N -1.364 118.780 120.200 -0.094 0.000 2.423 198 E HA 0.640 4.991 4.350 0.001 0.000 0.280 198 E C -0.080 176.251 176.600 -0.449 0.000 1.030 198 E CA -1.271 55.003 56.400 -0.209 0.000 0.812 198 E CB 0.896 30.480 29.700 -0.194 0.000 1.313 198 E HN 0.535 nan 8.360 nan 0.000 0.456 199 R N 0.776 121.037 120.500 -0.399 0.000 2.549 199 R HA 0.589 4.930 4.340 0.001 0.000 0.267 199 R C -1.154 174.787 176.300 -0.599 0.000 1.045 199 R CA -0.615 55.202 56.100 -0.472 0.000 1.115 199 R CB 0.765 30.922 30.300 -0.238 0.000 1.121 199 R HN 0.419 nan 8.270 nan 0.000 0.543 200 F N -0.037 119.804 119.950 -0.181 0.000 2.522 200 F HA 0.306 4.834 4.527 0.002 0.000 0.324 200 F C 0.836 176.548 175.800 -0.145 0.000 1.077 200 F CA -1.028 56.854 58.000 -0.196 0.000 0.944 200 F CB 2.317 41.123 39.000 -0.324 0.000 1.175 200 F HN 0.703 nan 8.300 nan 0.000 0.468 201 T N -1.823 112.769 114.554 0.063 0.000 2.828 201 T HA 0.144 4.495 4.350 0.001 0.000 0.290 201 T C 0.551 175.345 174.700 0.155 0.000 1.019 201 T CA -0.299 61.761 62.100 -0.066 0.000 1.031 201 T CB 0.463 69.282 68.868 -0.081 0.000 1.001 201 T HN 0.621 nan 8.240 nan 0.000 0.531 202 Y N -0.372 119.915 120.300 -0.022 0.000 2.578 202 Y HA 0.070 4.620 4.550 0.001 0.000 0.297 202 Y C 1.905 177.829 175.900 0.040 0.000 1.176 202 Y CA -0.385 57.736 58.100 0.035 0.000 1.315 202 Y CB 0.019 38.511 38.460 0.053 0.000 1.031 202 Y HN 0.664 nan 8.280 nan 0.000 0.524 203 E N -0.335 119.960 120.200 0.158 0.000 2.474 203 E HA -0.052 4.299 4.350 0.001 0.000 0.195 203 E C 0.135 176.788 176.600 0.088 0.000 1.039 203 E CA 0.031 56.491 56.400 0.099 0.000 0.881 203 E CB 0.090 29.824 29.700 0.057 0.000 0.970 203 E HN 0.083 nan 8.360 nan 0.000 0.486 204 D N 0.965 121.434 120.400 0.114 0.000 2.597 204 D HA -0.040 4.601 4.640 0.001 0.000 0.228 204 D C 0.723 177.096 176.300 0.122 0.000 1.120 204 D CA 0.226 54.286 54.000 0.101 0.000 1.083 204 D CB 0.098 40.954 40.800 0.094 0.000 1.116 204 D HN 0.141 nan 8.370 nan 0.000 0.487 205 T N -1.077 113.526 114.554 0.083 0.000 3.007 205 T HA -0.126 4.225 4.350 0.001 0.000 0.270 205 T C 1.172 175.904 174.700 0.053 0.000 1.107 205 T CA 0.543 62.682 62.100 0.066 0.000 1.118 205 T CB 0.245 69.133 68.868 0.034 0.000 0.889 205 T HN 0.094 nan 8.240 nan 0.000 0.506 206 D N 0.520 120.958 120.400 0.064 0.000 2.137 206 D HA 0.061 4.702 4.640 0.001 0.000 0.202 206 D C 1.514 177.751 176.300 -0.104 0.000 0.970 206 D CA 0.525 54.554 54.000 0.048 0.000 0.837 206 D CB -0.513 40.402 40.800 0.192 0.000 0.981 206 D HN 0.431 nan 8.370 nan 0.000 0.475 207 F N 1.708 121.592 119.950 -0.110 0.000 2.171 207 F HA -0.160 4.368 4.527 0.002 0.000 0.300 207 F C 2.305 178.000 175.800 -0.174 0.000 1.090 207 F CA 1.421 59.303 58.000 -0.197 0.000 1.293 207 F CB -0.015 38.909 39.000 -0.128 0.000 1.013 207 F HN -0.112 nan 8.300 nan 0.000 0.486 208 Q N -1.478 118.348 119.800 0.043 0.000 2.224 208 Q HA -0.235 4.106 4.340 0.001 0.000 0.203 208 Q C 1.941 177.879 176.000 -0.103 0.000 0.970 208 Q CA 1.577 57.379 55.803 -0.002 0.000 0.865 208 Q CB -0.365 28.421 28.738 0.081 0.000 0.922 208 Q HN 0.588 nan 8.270 nan 0.000 0.445 209 H N 0.450 119.391 119.070 -0.214 0.000 2.363 209 H HA -0.056 4.501 4.556 0.001 0.000 0.301 209 H C 1.982 177.123 175.328 -0.312 0.000 1.074 209 H CA 1.512 57.428 56.048 -0.220 0.000 1.354 209 H CB -0.002 29.645 29.762 -0.192 0.000 1.397 209 H HN 0.093 nan 8.280 nan 0.000 0.516 210 M N 0.214 119.461 119.600 -0.587 0.000 2.080 210 M HA -0.173 4.307 4.480 0.001 0.000 0.260 210 M C 2.015 178.065 176.300 -0.417 0.000 1.068 210 M CA 1.707 56.610 55.300 -0.661 0.000 1.109 210 M CB -0.561 31.403 32.600 -1.060 0.000 1.342 210 M HN 0.497 nan 8.290 nan 0.000 0.405 211 I N 0.043 120.359 120.570 -0.422 0.000 2.286 211 I HA -0.296 3.875 4.170 0.001 0.000 0.248 211 I C 2.438 178.475 176.117 -0.134 0.000 1.115 211 I CA 1.411 62.575 61.300 -0.226 0.000 1.392 211 I CB -0.410 37.441 38.000 -0.249 0.000 1.065 211 I HN 0.453 nan 8.210 nan 0.000 0.418 212 E N 1.123 121.211 120.200 -0.185 0.000 2.077 212 E HA -0.220 4.131 4.350 0.001 0.000 0.193 212 E C 2.335 178.847 176.600 -0.147 0.000 0.989 212 E CA 1.130 57.441 56.400 -0.148 0.000 0.800 212 E CB 0.046 29.656 29.700 -0.151 0.000 0.746 212 E HN 0.470 nan 8.360 nan 0.000 0.452 213 L N -0.159 120.923 121.223 -0.236 0.000 2.109 213 L HA -0.095 4.246 4.340 0.001 0.000 0.207 213 L C 2.457 179.308 176.870 -0.031 0.000 1.086 213 L CA 0.842 55.571 54.840 -0.185 0.000 0.760 213 L CB -0.449 41.431 42.059 -0.298 0.000 0.910 213 L HN 0.235 nan 8.230 nan 0.000 0.437 214 F N 0.427 120.274 119.950 -0.172 0.000 2.134 214 F HA -0.257 4.271 4.527 0.001 0.000 0.299 214 F C 2.656 178.404 175.800 -0.086 0.000 1.097 214 F CA 1.075 59.010 58.000 -0.108 0.000 1.264 214 F CB 0.243 39.177 39.000 -0.111 0.000 1.001 214 F HN 0.042 nan 8.300 nan 0.000 0.479 215 S N -0.411 115.346 115.700 0.096 0.000 2.368 215 S HA -0.226 4.245 4.470 0.001 0.000 0.224 215 S C 1.875 176.478 174.600 0.006 0.000 1.029 215 S CA 1.234 59.432 58.200 -0.004 0.000 0.988 215 S CB -0.399 62.774 63.200 -0.045 0.000 0.838 215 S HN 0.465 nan 8.310 nan 0.000 0.462 216 E N 2.266 122.465 120.200 -0.001 0.000 2.070 216 E HA -0.201 4.150 4.350 0.001 0.000 0.197 216 E C 1.813 178.419 176.600 0.009 0.000 1.004 216 E CA 1.544 57.938 56.400 -0.010 0.000 0.805 216 E CB -0.732 28.948 29.700 -0.033 0.000 0.744 216 E HN 0.585 nan 8.360 nan 0.000 0.451 217 N N -0.053 118.675 118.700 0.046 0.000 2.166 217 N HA -0.095 4.646 4.740 0.001 0.000 0.186 217 N C 1.846 177.395 175.510 0.066 0.000 1.019 217 N CA 1.561 54.648 53.050 0.062 0.000 0.856 217 N CB -0.641 37.919 38.487 0.123 0.000 0.993 217 N HN 0.305 nan 8.380 nan 0.000 0.426 218 V N 1.006 120.959 119.914 0.065 0.000 2.407 218 V HA -0.185 3.936 4.120 0.001 0.000 0.248 218 V C 2.296 178.399 176.094 0.014 0.000 1.055 218 V CA 1.588 63.900 62.300 0.020 0.000 1.049 218 V CB -0.472 31.333 31.823 -0.030 0.000 0.662 218 V HN 0.366 nan 8.190 nan 0.000 0.455 219 E N 0.282 120.489 120.200 0.013 0.000 2.047 219 E HA -0.178 4.173 4.350 0.001 0.000 0.191 219 E C 2.195 178.808 176.600 0.022 0.000 0.987 219 E CA 1.161 57.571 56.400 0.016 0.000 0.799 219 E CB -0.152 29.552 29.700 0.006 0.000 0.752 219 E HN 0.564 nan 8.360 nan 0.000 0.449 220 L N 0.557 121.786 121.223 0.009 0.000 2.131 220 L HA -0.150 4.191 4.340 0.001 0.000 0.210 220 L C 2.589 179.464 176.870 0.010 0.000 1.092 220 L CA 0.899 55.738 54.840 -0.002 0.000 0.759 220 L CB -0.468 41.567 42.059 -0.040 0.000 0.903 220 L HN 0.219 nan 8.230 nan 0.000 0.435 221 A N 0.104 122.933 122.820 0.015 0.000 2.076 221 A HA -0.139 4.181 4.320 0.001 0.000 0.220 221 A C 2.390 179.996 177.584 0.037 0.000 1.160 221 A CA 1.726 53.768 52.037 0.007 0.000 0.653 221 A CB -0.511 18.503 19.000 0.023 0.000 0.801 221 A HN 0.418 nan 8.150 nan 0.000 0.455 222 A N -0.011 122.873 122.820 0.108 0.000 2.178 222 A HA 0.342 4.662 4.320 0.001 0.000 0.211 222 A C 1.464 179.217 177.584 0.281 0.000 1.157 222 A CA 0.723 52.905 52.037 0.242 0.000 0.780 222 A CB -0.608 18.486 19.000 0.156 0.000 0.828 222 A HN 0.741 nan 8.150 nan 0.000 0.476 223 S N -0.924 114.886 115.700 0.182 0.000 2.593 223 S HA 0.489 4.960 4.470 0.001 0.000 0.269 223 S C 1.280 176.007 174.600 0.212 0.000 1.334 223 S CA -0.077 58.202 58.200 0.132 0.000 1.015 223 S CB 1.272 64.511 63.200 0.065 0.000 0.912 223 S HN 0.813 nan 8.310 nan 0.000 0.541 224 A N 2.029 124.904 122.820 0.092 0.000 1.933 224 A HA -0.020 4.301 4.320 0.001 0.000 0.218 224 A C 2.374 180.027 177.584 0.115 0.000 1.175 224 A CA 1.786 53.869 52.037 0.077 0.000 0.628 224 A CB -1.575 17.423 19.000 -0.003 0.000 0.814 224 A HN 0.850 nan 8.150 nan 0.000 0.444 225 S N -0.544 115.199 115.700 0.071 0.000 2.374 225 S HA -0.165 4.306 4.470 0.001 0.000 0.227 225 S C 1.836 176.456 174.600 0.033 0.000 1.037 225 S CA 1.699 59.915 58.200 0.027 0.000 1.024 225 S CB -0.413 62.794 63.200 0.011 0.000 0.861 225 S HN 0.368 nan 8.310 nan 0.000 0.456 226 V N 0.398 120.352 119.914 0.068 0.000 2.535 226 V HA -0.012 4.109 4.120 0.001 0.000 0.246 226 V C 1.797 177.893 176.094 0.003 0.000 1.045 226 V CA 1.161 63.486 62.300 0.042 0.000 1.058 226 V CB -0.711 31.097 31.823 -0.026 0.000 0.689 226 V HN 0.376 nan 8.190 nan 0.000 0.461 227 F N 0.072 119.998 119.950 -0.039 0.000 2.126 227 F HA -0.197 4.330 4.527 0.001 0.000 0.299 227 F C 2.126 177.827 175.800 -0.165 0.000 1.096 227 F CA 1.730 59.680 58.000 -0.083 0.000 1.255 227 F CB -0.428 38.536 39.000 -0.060 0.000 0.997 227 F HN 0.061 nan 8.300 nan 0.000 0.479 228 L N -1.741 119.515 121.223 0.055 0.000 2.056 228 L HA -0.250 4.090 4.340 0.001 0.000 0.207 228 L C 2.364 179.135 176.870 -0.166 0.000 1.078 228 L CA 1.248 56.060 54.840 -0.046 0.000 0.749 228 L CB -0.828 41.277 42.059 0.076 0.000 0.901 228 L HN 0.160 nan 8.230 nan 0.000 0.433 229 Y N 1.349 121.529 120.300 -0.201 0.000 2.114 229 Y HA -0.308 4.243 4.550 0.001 0.000 0.282 229 Y C 2.487 178.241 175.900 -0.242 0.000 1.165 229 Y CA 1.814 59.788 58.100 -0.209 0.000 1.148 229 Y CB -0.316 38.083 38.460 -0.102 0.000 0.972 229 Y HN 0.222 nan 8.280 nan 0.000 0.504 230 N N 0.334 118.796 118.700 -0.397 0.000 2.244 230 N HA -0.135 4.605 4.740 0.001 0.000 0.183 230 N C 1.919 177.094 175.510 -0.559 0.000 1.016 230 N CA 1.262 54.013 53.050 -0.499 0.000 0.866 230 N CB -0.537 37.710 38.487 -0.400 0.000 0.980 230 N HN 0.551 nan 8.380 nan 0.000 0.430 231 A N 0.369 122.786 122.820 -0.671 0.000 1.872 231 A HA 0.034 4.355 4.320 0.001 0.000 0.214 231 A C 0.459 177.388 177.584 -1.092 0.000 1.187 231 A CA 0.850 52.275 52.037 -1.021 0.000 0.614 231 A CB -0.313 17.744 19.000 -1.572 0.000 0.826 231 A HN 0.223 nan 8.150 nan 0.000 0.442 232 F N -1.023 118.619 119.950 -0.514 0.000 2.449 232 F HA 0.359 4.887 4.527 0.002 0.000 0.344 232 F C -2.103 173.119 175.800 -0.962 0.000 1.180 232 F CA -1.969 55.572 58.000 -0.764 0.000 1.209 232 F CB 1.326 39.726 39.000 -1.001 0.000 1.440 232 F HN 0.058 nan 8.300 nan 0.000 0.526 233 P HA -0.158 nan 4.420 nan 0.000 0.225 233 P C 1.609 178.830 177.300 -0.131 0.000 1.148 233 P CA 1.021 63.749 63.100 -0.619 0.000 0.779 233 P CB -0.126 31.293 31.700 -0.468 0.000 0.780 234 W N -0.701 120.643 121.300 0.073 0.000 2.468 234 W HA -0.032 4.629 4.660 0.001 0.000 0.262 234 W C 1.194 177.819 176.519 0.177 0.000 1.241 234 W CA 0.130 57.549 57.345 0.123 0.000 1.232 234 W CB -1.694 27.826 29.460 0.100 0.000 1.124 234 W HN -0.063 nan 8.180 nan 0.000 0.597 235 I N 2.200 122.733 120.570 -0.062 0.000 2.530 235 I HA -0.187 3.984 4.170 0.001 0.000 0.257 235 I C 2.781 179.094 176.117 0.327 0.000 1.179 235 I CA 1.517 62.834 61.300 0.029 0.000 1.440 235 I CB -1.009 36.838 38.000 -0.255 0.000 1.087 235 I HN 0.064 nan 8.210 nan 0.000 0.440 236 G N 1.218 110.314 108.800 0.494 0.000 2.499 236 G HA2 -0.237 3.724 3.960 0.001 0.000 0.221 236 G HA3 -0.237 3.724 3.960 0.001 0.000 0.221 236 G C 1.603 176.699 174.900 0.327 0.000 1.109 236 G CA 0.491 45.903 45.100 0.520 0.000 0.749 236 G HN 0.399 nan 8.290 nan 0.000 0.568 237 I N 0.331 121.077 120.570 0.295 0.000 2.454 237 I HA -0.017 4.154 4.170 0.001 0.000 0.254 237 I C 0.840 177.055 176.117 0.164 0.000 1.156 237 I CA 0.237 61.659 61.300 0.204 0.000 1.433 237 I CB -0.151 37.978 38.000 0.215 0.000 1.082 237 I HN 0.044 nan 8.210 nan 0.000 0.432 238 L N 3.109 124.473 121.223 0.235 0.000 2.360 238 L HA 0.105 4.446 4.340 0.001 0.000 0.276 238 L C -1.145 175.766 176.870 0.068 0.000 1.121 238 L CA -1.187 53.754 54.840 0.168 0.000 0.845 238 L CB 0.256 42.457 42.059 0.237 0.000 1.143 238 L HN -0.089 nan 8.230 nan 0.000 0.452 239 P HA -0.050 nan 4.420 nan 0.000 0.224 239 P C 0.049 177.063 177.300 -0.476 0.000 1.157 239 P CA 0.854 63.685 63.100 -0.447 0.000 0.799 239 P CB 0.241 31.499 31.700 -0.736 0.000 0.809 240 F N 0.374 120.375 119.950 0.084 0.000 2.425 240 F HA 0.667 5.194 4.527 0.000 0.000 0.331 240 F C 1.272 177.161 175.800 0.148 0.000 1.085 240 F CA -0.061 57.980 58.000 0.068 0.000 1.028 240 F CB 1.631 40.668 39.000 0.061 0.000 1.177 240 F HN 0.034 nan 8.300 nan 0.000 0.487 241 G N 1.590 110.553 108.800 0.272 0.000 2.347 241 G HA2 -0.044 3.917 3.960 0.001 0.000 0.477 241 G HA3 -0.044 3.917 3.960 0.001 0.000 0.477 241 G C -0.347 174.636 174.900 0.139 0.000 1.349 241 G CA -1.034 44.221 45.100 0.258 0.000 1.000 241 G HN 0.561 nan 8.290 nan 0.000 0.605 242 K N -0.406 120.070 120.400 0.126 0.000 2.217 242 K HA -0.065 4.256 4.320 0.001 0.000 0.202 242 K C 2.229 178.747 176.600 -0.136 0.000 1.051 242 K CA 1.433 57.716 56.287 -0.007 0.000 0.952 242 K CB -0.161 32.337 32.500 -0.003 0.000 0.736 242 K HN 0.713 nan 8.250 nan 0.000 0.453 243 H N 0.860 119.714 119.070 -0.360 0.000 2.353 243 H HA -0.055 4.502 4.556 0.001 0.000 0.300 243 H C 1.522 176.171 175.328 -1.132 0.000 1.090 243 H CA 1.040 56.615 56.048 -0.787 0.000 1.327 243 H CB -0.241 29.111 29.762 -0.682 0.000 1.383 243 H HN 0.117 nan 8.280 nan 0.000 0.508 244 Q N 0.784 119.908 119.800 -1.127 0.000 2.123 244 Q HA -0.099 4.242 4.340 0.001 0.000 0.199 244 Q C 2.437 178.223 176.000 -0.356 0.000 0.966 244 Q CA 0.976 56.382 55.803 -0.662 0.000 0.845 244 Q CB -0.210 28.248 28.738 -0.468 0.000 0.907 244 Q HN 0.671 nan 8.270 nan 0.000 0.439 245 Q N 0.525 120.154 119.800 -0.285 0.000 2.096 245 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 245 Q C 2.150 178.039 176.000 -0.185 0.000 0.982 245 Q CA 0.918 56.621 55.803 -0.167 0.000 0.850 245 Q CB -0.081 28.592 28.738 -0.109 0.000 0.901 245 Q HN 0.337 nan 8.270 nan 0.000 0.422 246 L N -0.217 120.826 121.223 -0.300 0.000 2.056 246 L HA -0.169 4.172 4.340 0.001 0.000 0.207 246 L C 1.900 178.695 176.870 -0.125 0.000 1.078 246 L CA 0.984 55.676 54.840 -0.247 0.000 0.749 246 L CB -0.161 41.690 42.059 -0.347 0.000 0.901 246 L HN 0.227 nan 8.230 nan 0.000 0.433 247 F N -0.217 119.643 119.950 -0.150 0.000 2.163 247 F HA -0.106 4.421 4.527 0.001 0.000 0.297 247 F C 2.733 178.466 175.800 -0.113 0.000 1.094 247 F CA 1.184 59.097 58.000 -0.145 0.000 1.290 247 F CB -1.017 37.870 39.000 -0.188 0.000 1.017 247 F HN 0.059 nan 8.300 nan 0.000 0.483 248 R N 0.615 121.154 120.500 0.066 0.000 2.073 248 R HA -0.168 4.173 4.340 0.001 0.000 0.234 248 R C 2.024 178.321 176.300 -0.005 0.000 1.134 248 R CA 1.753 57.863 56.100 0.016 0.000 0.952 248 R CB -0.289 30.004 30.300 -0.012 0.000 0.850 248 R HN 0.123 nan 8.270 nan 0.000 0.433 249 N N 0.636 119.316 118.700 -0.033 0.000 2.104 249 N HA -0.167 4.574 4.740 0.001 0.000 0.190 249 N C 1.546 177.012 175.510 -0.074 0.000 1.024 249 N CA 1.757 54.769 53.050 -0.063 0.000 0.853 249 N CB -0.453 37.986 38.487 -0.079 0.000 1.008 249 N HN 0.375 nan 8.380 nan 0.000 0.424 250 A N 0.372 123.167 122.820 -0.041 0.000 1.969 250 A HA 0.120 4.441 4.320 0.001 0.000 0.218 250 A C 2.275 179.860 177.584 0.002 0.000 1.169 250 A CA 1.679 53.685 52.037 -0.051 0.000 0.635 250 A CB -0.630 18.380 19.000 0.017 0.000 0.810 250 A HN 0.321 nan 8.150 nan 0.000 0.445 251 A N -0.473 122.354 122.820 0.012 0.000 1.872 251 A HA 0.062 4.383 4.320 0.001 0.000 0.214 251 A C 2.190 179.814 177.584 0.067 0.000 1.187 251 A CA 1.551 53.602 52.037 0.024 0.000 0.614 251 A CB -0.937 18.061 19.000 -0.004 0.000 0.826 251 A HN 0.346 nan 8.150 nan 0.000 0.442 252 V N -0.191 119.744 119.914 0.035 0.000 2.282 252 V HA -0.268 3.852 4.120 0.001 0.000 0.249 252 V C 2.578 178.707 176.094 0.058 0.000 1.057 252 V CA 2.178 64.508 62.300 0.050 0.000 1.032 252 V CB -0.913 30.925 31.823 0.025 0.000 0.645 252 V HN 0.362 nan 8.190 nan 0.000 0.447 253 V N -1.149 118.744 119.914 -0.035 0.000 2.295 253 V HA -0.310 3.810 4.120 0.001 0.000 0.246 253 V C 2.169 178.276 176.094 0.022 0.000 1.049 253 V CA 2.486 64.724 62.300 -0.104 0.000 1.024 253 V CB -0.778 30.802 31.823 -0.404 0.000 0.648 253 V HN 0.650 nan 8.190 nan 0.000 0.447 254 Y N 1.232 121.493 120.300 -0.064 0.000 2.114 254 Y HA -0.346 4.205 4.550 0.002 0.000 0.282 254 Y C 2.400 178.313 175.900 0.023 0.000 1.165 254 Y CA 2.442 60.540 58.100 -0.003 0.000 1.148 254 Y CB -0.290 38.182 38.460 0.021 0.000 0.972 254 Y HN 0.429 nan 8.280 nan 0.000 0.504 255 D N -0.840 119.721 120.400 0.268 0.000 2.084 255 D HA -0.264 4.377 4.640 0.001 0.000 0.194 255 D C 2.061 178.403 176.300 0.069 0.000 0.990 255 D CA 1.559 55.660 54.000 0.168 0.000 0.826 255 D CB -0.554 40.338 40.800 0.154 0.000 0.971 255 D HN 0.353 nan 8.370 nan 0.000 0.453 256 F N 0.693 120.631 119.950 -0.019 0.000 2.091 256 F HA -0.186 4.342 4.527 0.001 0.000 0.299 256 F C 2.001 177.764 175.800 -0.062 0.000 1.103 256 F CA 1.423 59.397 58.000 -0.044 0.000 1.228 256 F CB -0.233 38.737 39.000 -0.048 0.000 0.984 256 F HN 0.026 nan 8.300 nan 0.000 0.477 257 L N -0.275 121.030 121.223 0.137 0.000 2.083 257 L HA -0.252 4.088 4.340 0.001 0.000 0.209 257 L C 2.693 179.510 176.870 -0.088 0.000 1.083 257 L CA 1.580 56.459 54.840 0.065 0.000 0.752 257 L CB -0.950 41.141 42.059 0.054 0.000 0.899 257 L HN 0.317 nan 8.230 nan 0.000 0.433 258 S N -0.504 115.079 115.700 -0.196 0.000 2.402 258 S HA -0.147 4.324 4.470 0.001 0.000 0.229 258 S C 2.039 176.545 174.600 -0.156 0.000 1.021 258 S CA 0.561 58.638 58.200 -0.204 0.000 0.974 258 S CB -0.298 62.761 63.200 -0.234 0.000 0.800 258 S HN 0.382 nan 8.310 nan 0.000 0.484 259 R N 0.637 121.015 120.500 -0.204 0.000 2.093 259 R HA 0.232 4.573 4.340 0.001 0.000 0.224 259 R C 2.316 178.440 176.300 -0.295 0.000 1.101 259 R CA 0.983 56.935 56.100 -0.246 0.000 0.979 259 R CB -0.579 29.532 30.300 -0.315 0.000 0.877 259 R HN 0.414 nan 8.270 nan 0.000 0.441 260 L N 0.534 121.531 121.223 -0.376 0.000 2.046 260 L HA -0.186 4.154 4.340 0.001 0.000 0.208 260 L C 2.371 179.139 176.870 -0.169 0.000 1.077 260 L CA 1.354 55.965 54.840 -0.382 0.000 0.747 260 L CB -0.340 41.435 42.059 -0.473 0.000 0.896 260 L HN 0.163 nan 8.230 nan 0.000 0.432 261 I N -0.771 119.789 120.570 -0.018 0.000 2.252 261 I HA -0.232 3.939 4.170 0.001 0.000 0.245 261 I C 2.597 178.721 176.117 0.012 0.000 1.102 261 I CA 0.870 62.219 61.300 0.081 0.000 1.385 261 I CB -0.260 37.766 38.000 0.044 0.000 1.064 261 I HN 0.243 nan 8.210 nan 0.000 0.414 262 E N 1.292 121.466 120.200 -0.043 0.000 2.038 262 E HA -0.235 4.116 4.350 0.001 0.000 0.195 262 E C 2.144 178.728 176.600 -0.028 0.000 1.000 262 E CA 1.398 57.775 56.400 -0.038 0.000 0.803 262 E CB -0.297 29.367 29.700 -0.060 0.000 0.750 262 E HN 0.468 nan 8.360 nan 0.000 0.448 263 K N 0.455 120.819 120.400 -0.060 0.000 2.103 263 K HA -0.071 4.250 4.320 0.001 0.000 0.207 263 K C 2.042 178.646 176.600 0.007 0.000 1.048 263 K CA 1.233 57.492 56.287 -0.047 0.000 0.930 263 K CB -0.143 32.298 32.500 -0.098 0.000 0.716 263 K HN 0.059 nan 8.250 nan 0.000 0.444 264 A N 1.082 123.917 122.820 0.026 0.000 2.119 264 A HA -0.088 4.233 4.320 0.001 0.000 0.217 264 A C 1.946 179.641 177.584 0.184 0.000 1.153 264 A CA 1.576 53.671 52.037 0.098 0.000 0.692 264 A CB -0.271 18.784 19.000 0.092 0.000 0.799 264 A HN 0.353 nan 8.150 nan 0.000 0.458 265 S N -1.441 114.327 115.700 0.114 0.000 2.535 265 S HA 0.097 4.568 4.470 0.001 0.000 0.214 265 S C 1.485 176.118 174.600 0.055 0.000 0.980 265 S CA 0.582 58.843 58.200 0.102 0.000 0.907 265 S CB -0.280 62.958 63.200 0.063 0.000 0.790 265 S HN 0.133 nan 8.310 nan 0.000 0.510 266 V N 3.526 123.466 119.914 0.043 0.000 2.222 266 V HA -0.228 3.892 4.120 0.001 0.000 0.252 266 V C 1.465 177.570 176.094 0.019 0.000 1.060 266 V CA 2.107 64.420 62.300 0.021 0.000 1.027 266 V CB -0.743 31.089 31.823 0.015 0.000 0.644 266 V HN 0.589 nan 8.190 nan 0.000 0.448 267 N N 0.286 119.001 118.700 0.026 0.000 2.389 267 N HA 0.078 4.819 4.740 0.001 0.000 0.237 267 N C 0.520 176.029 175.510 -0.003 0.000 1.148 267 N CA 0.004 53.060 53.050 0.011 0.000 0.854 267 N CB -0.355 38.140 38.487 0.014 0.000 1.115 267 N HN 0.491 nan 8.380 nan 0.000 0.492 268 R N 0.644 121.142 120.500 -0.003 0.000 2.590 268 R HA 0.042 4.383 4.340 0.001 0.000 0.274 268 R C -0.570 175.711 176.300 -0.033 0.000 1.061 268 R CA 0.177 56.260 56.100 -0.028 0.000 1.081 268 R CB 0.503 30.793 30.300 -0.016 0.000 0.984 268 R HN -0.263 nan 8.270 nan 0.000 0.448 269 K N 5.806 126.177 120.400 -0.047 0.000 2.464 269 K HA 0.300 4.621 4.320 0.001 0.000 0.252 269 K C -2.518 174.055 176.600 -0.045 0.000 1.000 269 K CA -1.823 54.441 56.287 -0.038 0.000 0.951 269 K CB 1.486 33.967 32.500 -0.033 0.000 1.183 269 K HN 0.683 nan 8.250 nan 0.000 0.445 270 P HA -0.108 nan 4.420 nan 0.000 0.261 270 P C 0.367 177.635 177.300 -0.053 0.000 1.165 270 P CA 0.876 63.946 63.100 -0.050 0.000 0.759 270 P CB 0.387 32.062 31.700 -0.042 0.000 0.772 271 Q N -0.419 119.340 119.800 -0.067 0.000 2.284 271 Q HA -0.214 4.127 4.340 0.001 0.000 0.205 271 Q C 0.421 176.385 176.000 -0.061 0.000 0.682 271 Q CA 1.794 57.553 55.803 -0.072 0.000 1.401 271 Q CB -2.552 26.146 28.738 -0.066 0.000 1.643 271 Q HN 0.543 nan 8.270 nan 0.000 0.717 272 L N 0.701 121.895 121.223 -0.047 0.000 2.637 272 L HA 0.380 4.721 4.340 0.001 0.000 0.241 272 L C -2.180 174.678 176.870 -0.020 0.000 1.398 272 L CA -1.884 52.942 54.840 -0.023 0.000 0.895 272 L CB 1.102 43.152 42.059 -0.015 0.000 1.183 272 L HN 0.080 nan 8.230 nan 0.000 0.497 273 P HA 0.086 nan 4.420 nan 0.000 0.275 273 P C -0.334 176.963 177.300 -0.005 0.000 1.227 273 P CA -0.178 62.896 63.100 -0.043 0.000 0.781 273 P CB 1.527 33.256 31.700 0.048 0.000 0.906 274 Q N 0.983 120.572 119.800 -0.352 0.000 2.352 274 Q HA 0.090 4.431 4.340 0.001 0.000 0.212 274 Q C 0.286 175.874 176.000 -0.686 0.000 0.888 274 Q CA 0.885 56.482 55.803 -0.344 0.000 0.934 274 Q CB -0.049 28.466 28.738 -0.372 0.000 1.093 274 Q HN 0.768 nan 8.270 nan 0.000 0.523 275 H N -5.237 113.268 119.070 -0.942 0.000 2.863 275 H HA 0.134 4.691 4.556 0.001 0.000 0.274 275 H C 0.046 174.844 175.328 -0.884 0.000 1.457 275 H CA -0.957 54.380 56.048 -1.185 0.000 1.151 275 H CB -0.523 28.967 29.762 -0.453 0.000 1.844 275 H HN -0.166 nan 8.280 nan 0.000 0.562 276 F N 0.800 120.540 119.950 -0.350 0.000 2.171 276 F HA -0.091 4.437 4.527 0.001 0.000 0.300 276 F C 1.507 177.342 175.800 0.060 0.000 1.090 276 F CA 1.877 59.842 58.000 -0.059 0.000 1.293 276 F CB -0.279 38.719 39.000 -0.003 0.000 1.013 276 F HN 0.264 nan 8.300 nan 0.000 0.486 277 V N 0.672 120.649 119.914 0.106 0.000 2.295 277 V HA -0.318 3.803 4.120 0.001 0.000 0.246 277 V C 2.114 178.240 176.094 0.054 0.000 1.049 277 V CA 2.321 64.649 62.300 0.047 0.000 1.024 277 V CB -0.724 31.139 31.823 0.067 0.000 0.648 277 V HN 0.281 nan 8.190 nan 0.000 0.447 278 D N 0.293 120.777 120.400 0.140 0.000 2.123 278 D HA -0.130 4.510 4.640 0.001 0.000 0.196 278 D C 2.192 178.432 176.300 -0.100 0.000 0.992 278 D CA 1.672 55.641 54.000 -0.053 0.000 0.833 278 D CB -0.353 40.291 40.800 -0.261 0.000 0.954 278 D HN 0.446 nan 8.370 nan 0.000 0.455 279 A N -0.285 122.462 122.820 -0.121 0.000 1.930 279 A HA -0.195 4.126 4.320 0.001 0.000 0.217 279 A C 2.173 179.591 177.584 -0.277 0.000 1.175 279 A CA 1.045 53.001 52.037 -0.134 0.000 0.627 279 A CB -0.953 18.062 19.000 0.025 0.000 0.815 279 A HN 0.340 nan 8.150 nan 0.000 0.443 280 Y N 0.353 120.364 120.300 -0.481 0.000 2.163 280 Y HA -0.146 4.405 4.550 0.002 0.000 0.288 280 Y C 2.050 177.728 175.900 -0.369 0.000 1.136 280 Y CA 1.794 59.582 58.100 -0.520 0.000 1.147 280 Y CB -0.147 37.988 38.460 -0.543 0.000 0.987 280 Y HN 0.221 nan 8.280 nan 0.000 0.509 281 L N -0.258 120.964 121.223 -0.001 0.000 2.083 281 L HA -0.258 4.083 4.340 0.001 0.000 0.209 281 L C 1.961 178.754 176.870 -0.129 0.000 1.083 281 L CA 1.382 56.210 54.840 -0.020 0.000 0.752 281 L CB -0.609 41.449 42.059 -0.002 0.000 0.899 281 L HN 0.228 nan 8.230 nan 0.000 0.433 282 D N -0.167 120.126 120.400 -0.178 0.000 2.123 282 D HA -0.182 4.459 4.640 0.001 0.000 0.196 282 D C 2.217 178.338 176.300 -0.298 0.000 0.992 282 D CA 1.010 54.889 54.000 -0.202 0.000 0.833 282 D CB -0.063 40.620 40.800 -0.194 0.000 0.954 282 D HN 0.248 nan 8.370 nan 0.000 0.455 283 E N 0.042 119.939 120.200 -0.505 0.000 2.077 283 E HA -0.107 4.244 4.350 0.001 0.000 0.193 283 E C 2.267 178.514 176.600 -0.589 0.000 0.989 283 E CA 0.551 56.469 56.400 -0.804 0.000 0.800 283 E CB -0.267 28.370 29.700 -1.771 0.000 0.746 283 E HN 0.414 nan 8.360 nan 0.000 0.452 284 M N 0.646 119.995 119.600 -0.419 0.000 2.159 284 M HA -0.170 4.311 4.480 0.001 0.000 0.263 284 M C 1.616 177.865 176.300 -0.084 0.000 1.063 284 M CA 1.238 56.458 55.300 -0.133 0.000 1.110 284 M CB -0.187 32.415 32.600 0.004 0.000 1.374 284 M HN -0.091 nan 8.290 nan 0.000 0.411 285 D N 0.256 120.591 120.400 -0.109 0.000 2.117 285 D HA -0.148 4.493 4.640 0.001 0.000 0.198 285 D C 1.986 178.239 176.300 -0.078 0.000 0.982 285 D CA 1.260 55.214 54.000 -0.076 0.000 0.828 285 D CB -0.294 40.460 40.800 -0.077 0.000 0.967 285 D HN 0.434 nan 8.370 nan 0.000 0.464 286 Q N -0.456 119.275 119.800 -0.116 0.000 2.291 286 Q HA 0.034 4.375 4.340 0.001 0.000 0.205 286 Q C 1.689 177.654 176.000 -0.059 0.000 0.970 286 Q CA 1.143 56.889 55.803 -0.095 0.000 0.876 286 Q CB 0.084 28.744 28.738 -0.129 0.000 0.935 286 Q HN 0.210 nan 8.270 nan 0.000 0.455 287 G N -0.107 108.665 108.800 -0.047 0.000 3.337 287 G HA2 0.012 3.973 3.960 0.001 0.000 0.246 287 G HA3 0.012 3.973 3.960 0.001 0.000 0.246 287 G C 0.852 175.764 174.900 0.020 0.000 1.131 287 G CA -0.334 44.773 45.100 0.011 0.000 0.773 287 G HN 0.056 nan 8.290 nan 0.000 0.544 288 K N 0.875 121.276 120.400 0.002 0.000 2.113 288 K HA -0.111 4.210 4.320 0.001 0.000 0.208 288 K C 1.388 177.996 176.600 0.014 0.000 1.047 288 K CA 1.102 57.394 56.287 0.009 0.000 0.928 288 K CB 0.074 32.573 32.500 -0.002 0.000 0.716 288 K HN 0.184 nan 8.250 nan 0.000 0.446 289 N N 0.769 119.474 118.700 0.008 0.000 2.299 289 N HA -0.056 4.685 4.740 0.001 0.000 0.187 289 N C -0.127 175.391 175.510 0.013 0.000 1.099 289 N CA 0.307 53.362 53.050 0.009 0.000 0.867 289 N CB 0.201 38.690 38.487 0.003 0.000 0.974 289 N HN 0.125 nan 8.380 nan 0.000 0.477 290 D N 1.479 121.890 120.400 0.018 0.000 2.316 290 D HA 0.152 4.793 4.640 0.001 0.000 0.245 290 D C -1.632 174.685 176.300 0.029 0.000 1.171 290 D CA -1.848 52.165 54.000 0.022 0.000 0.856 290 D CB 1.919 42.735 40.800 0.026 0.000 1.090 290 D HN 0.023 nan 8.370 nan 0.000 0.476 291 P HA -0.036 nan 4.420 nan 0.000 0.224 291 P C 0.953 178.271 177.300 0.030 0.000 1.157 291 P CA 0.519 63.636 63.100 0.027 0.000 0.799 291 P CB 0.182 31.895 31.700 0.022 0.000 0.809 292 S N -1.917 113.797 115.700 0.024 0.000 2.593 292 S HA 0.074 4.545 4.470 0.001 0.000 0.217 292 S C 1.032 175.641 174.600 0.016 0.000 0.966 292 S CA -0.324 57.888 58.200 0.019 0.000 0.914 292 S CB -1.060 62.148 63.200 0.013 0.000 0.776 292 S HN 0.065 nan 8.310 nan 0.000 0.523 293 S N 2.527 118.245 115.700 0.031 0.000 2.563 293 S HA 0.081 4.552 4.470 0.001 0.000 0.294 293 S C 1.395 176.004 174.600 0.014 0.000 1.279 293 S CA 0.464 58.689 58.200 0.043 0.000 1.069 293 S CB 0.474 63.735 63.200 0.103 0.000 0.828 293 S HN 0.628 nan 8.310 nan 0.000 0.497 294 T N 2.929 117.418 114.554 -0.109 0.000 3.065 294 T HA 0.249 4.600 4.350 0.001 0.000 0.252 294 T C 0.385 175.056 174.700 -0.048 0.000 1.099 294 T CA -0.188 61.852 62.100 -0.099 0.000 1.063 294 T CB -0.397 68.388 68.868 -0.138 0.000 0.948 294 T HN 0.471 nan 8.240 nan 0.000 0.506 295 F N 3.566 123.535 119.950 0.032 0.000 2.495 295 F HA 0.488 5.016 4.527 0.001 0.000 0.365 295 F C 1.075 176.987 175.800 0.187 0.000 1.090 295 F CA -0.171 57.829 58.000 -0.001 0.000 1.235 295 F CB 0.640 39.408 39.000 -0.387 0.000 1.119 295 F HN 0.290 nan 8.300 nan 0.000 0.562 296 S N 0.697 116.732 115.700 0.558 0.000 2.588 296 S HA 0.267 4.738 4.470 0.001 0.000 0.269 296 S C 0.285 175.042 174.600 0.261 0.000 1.157 296 S CA -0.642 57.758 58.200 0.334 0.000 0.824 296 S CB 1.832 65.166 63.200 0.223 0.000 1.126 296 S HN 0.407 nan 8.310 nan 0.000 0.464 297 K N 0.860 121.328 120.400 0.113 0.000 2.063 297 K HA -0.066 4.255 4.320 0.001 0.000 0.208 297 K C 1.806 178.329 176.600 -0.129 0.000 1.048 297 K CA 2.335 58.614 56.287 -0.013 0.000 0.928 297 K CB -1.298 31.199 32.500 -0.005 0.000 0.713 297 K HN 0.737 nan 8.250 nan 0.000 0.442 298 E N -0.096 120.038 120.200 -0.110 0.000 2.051 298 E HA -0.147 4.204 4.350 0.001 0.000 0.192 298 E C 2.066 178.358 176.600 -0.514 0.000 0.991 298 E CA 1.511 57.702 56.400 -0.348 0.000 0.799 298 E CB -0.241 29.360 29.700 -0.165 0.000 0.748 298 E HN 0.391 nan 8.360 nan 0.000 0.449 299 N N 0.763 119.431 118.700 -0.054 0.000 2.309 299 N HA -0.120 4.621 4.740 0.001 0.000 0.182 299 N C 1.726 177.318 175.510 0.137 0.000 1.018 299 N CA 0.354 53.526 53.050 0.203 0.000 0.876 299 N CB -0.153 38.615 38.487 0.469 0.000 0.972 299 N HN 0.099 nan 8.380 nan 0.000 0.434 300 L N 0.987 122.057 121.223 -0.254 0.000 2.056 300 L HA 0.051 4.392 4.340 0.001 0.000 0.207 300 L C 1.824 178.544 176.870 -0.251 0.000 1.078 300 L CA 1.268 55.703 54.840 -0.675 0.000 0.749 300 L CB -0.587 40.912 42.059 -0.933 0.000 0.901 300 L HN 0.051 nan 8.230 nan 0.000 0.433 301 I N -1.380 119.009 120.570 -0.300 0.000 2.179 301 I HA -0.292 3.879 4.170 0.001 0.000 0.242 301 I C 2.181 178.272 176.117 -0.043 0.000 1.088 301 I CA 1.086 62.214 61.300 -0.287 0.000 1.357 301 I CB -0.394 37.211 38.000 -0.658 0.000 1.051 301 I HN 0.146 nan 8.210 nan 0.000 0.409 302 F N 1.187 121.163 119.950 0.043 0.000 2.075 302 F HA -0.231 4.297 4.527 0.001 0.000 0.297 302 F C 3.048 178.919 175.800 0.118 0.000 1.113 302 F CA 1.433 59.492 58.000 0.099 0.000 1.218 302 F CB -1.643 37.416 39.000 0.098 0.000 0.984 302 F HN 0.155 nan 8.300 nan 0.000 0.472 303 S N -0.057 115.837 115.700 0.324 0.000 2.382 303 S HA -0.135 4.336 4.470 0.001 0.000 0.228 303 S C 2.139 176.849 174.600 0.185 0.000 1.027 303 S CA 1.359 59.732 58.200 0.288 0.000 0.991 303 S CB -1.192 62.304 63.200 0.493 0.000 0.823 303 S HN 0.131 nan 8.310 nan 0.000 0.469 304 V N 2.561 122.589 119.914 0.189 0.000 2.261 304 V HA -0.057 4.064 4.120 0.001 0.000 0.246 304 V C 2.990 179.187 176.094 0.171 0.000 1.047 304 V CA 1.948 64.317 62.300 0.115 0.000 1.015 304 V CB -1.733 30.178 31.823 0.147 0.000 0.642 304 V HN 0.653 nan 8.190 nan 0.000 0.446 305 G N -0.743 108.219 108.800 0.269 0.000 2.469 305 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 305 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 305 G C 1.465 176.573 174.900 0.347 0.000 1.150 305 G CA 1.147 46.523 45.100 0.459 0.000 0.763 305 G HN 0.589 nan 8.290 nan 0.000 0.561 306 E N -0.090 120.246 120.200 0.225 0.000 2.028 306 E HA 0.002 4.353 4.350 0.001 0.000 0.191 306 E C 2.615 179.210 176.600 -0.008 0.000 0.988 306 E CA 0.514 56.962 56.400 0.080 0.000 0.799 306 E CB -0.215 29.534 29.700 0.081 0.000 0.755 306 E HN 0.374 nan 8.360 nan 0.000 0.447 307 L N 0.750 121.973 121.223 0.001 0.000 2.042 307 L HA -0.233 4.108 4.340 0.001 0.000 0.210 307 L C 2.419 179.306 176.870 0.029 0.000 1.076 307 L CA 1.040 55.869 54.840 -0.019 0.000 0.749 307 L CB -0.358 41.660 42.059 -0.068 0.000 0.893 307 L HN 0.190 nan 8.230 nan 0.000 0.432 308 I N -0.919 119.682 120.570 0.051 0.000 2.163 308 I HA -0.290 3.881 4.170 0.001 0.000 0.240 308 I C 2.404 178.490 176.117 -0.051 0.000 1.081 308 I CA 1.164 62.517 61.300 0.088 0.000 1.353 308 I CB -0.088 38.048 38.000 0.226 0.000 1.054 308 I HN 0.163 nan 8.210 nan 0.000 0.407 309 I N 0.861 121.266 120.570 -0.275 0.000 2.353 309 I HA -0.162 4.009 4.170 0.001 0.000 0.248 309 I C 2.499 178.458 176.117 -0.264 0.000 1.119 309 I CA 1.268 62.272 61.300 -0.494 0.000 1.417 309 I CB -0.553 36.689 38.000 -1.263 0.000 1.078 309 I HN 0.130 nan 8.210 nan 0.000 0.421 310 A N 0.049 122.765 122.820 -0.173 0.000 1.883 310 A HA -0.132 4.188 4.320 0.001 0.000 0.217 310 A C 2.407 179.970 177.584 -0.035 0.000 1.186 310 A CA 1.932 53.915 52.037 -0.090 0.000 0.624 310 A CB -1.592 17.375 19.000 -0.056 0.000 0.822 310 A HN 0.469 nan 8.150 nan 0.000 0.444 311 G N -1.722 107.077 108.800 -0.001 0.000 2.395 311 G HA2 -0.021 3.940 3.960 0.001 0.000 0.214 311 G HA3 -0.021 3.940 3.960 0.001 0.000 0.214 311 G C 1.581 176.498 174.900 0.027 0.000 1.177 311 G CA 1.473 46.605 45.100 0.052 0.000 0.794 311 G HN 0.418 nan 8.290 nan 0.000 0.532 312 T N 0.954 115.511 114.554 0.005 0.000 2.674 312 T HA -0.064 4.286 4.350 0.001 0.000 0.265 312 T C 2.237 176.909 174.700 -0.047 0.000 1.039 312 T CA 1.317 63.410 62.100 -0.011 0.000 1.150 312 T CB -0.134 68.733 68.868 -0.000 0.000 0.864 312 T HN 0.133 nan 8.240 nan 0.000 0.427 313 E N 0.898 121.053 120.200 -0.077 0.000 2.038 313 E HA -0.136 4.215 4.350 0.001 0.000 0.195 313 E C 2.746 179.323 176.600 -0.039 0.000 1.000 313 E CA 1.955 58.312 56.400 -0.072 0.000 0.803 313 E CB -0.626 29.015 29.700 -0.099 0.000 0.750 313 E HN 0.720 nan 8.360 nan 0.000 0.448 314 T N -1.344 113.196 114.554 -0.025 0.000 2.698 314 T HA -0.083 4.268 4.350 0.001 0.000 0.260 314 T C 2.133 176.838 174.700 0.009 0.000 1.044 314 T CA 1.910 64.008 62.100 -0.004 0.000 1.149 314 T CB -0.932 67.937 68.868 0.002 0.000 0.864 314 T HN -0.011 nan 8.240 nan 0.000 0.419 315 T N 2.004 116.568 114.554 0.018 0.000 2.720 315 T HA -0.120 4.230 4.350 0.001 0.000 0.268 315 T C 2.240 176.922 174.700 -0.031 0.000 1.037 315 T CA 1.877 63.986 62.100 0.015 0.000 1.144 315 T CB -1.166 67.723 68.868 0.034 0.000 0.864 315 T HN 0.507 nan 8.240 nan 0.000 0.444 316 T N 2.591 117.109 114.554 -0.060 0.000 2.665 316 T HA -0.151 4.200 4.350 0.001 0.000 0.268 316 T C 2.029 176.697 174.700 -0.053 0.000 1.035 316 T CA 1.325 63.369 62.100 -0.092 0.000 1.151 316 T CB -0.415 68.397 68.868 -0.093 0.000 0.862 316 T HN 0.339 nan 8.240 nan 0.000 0.438 317 N N 0.651 119.341 118.700 -0.017 0.000 2.270 317 N HA -0.015 4.726 4.740 0.001 0.000 0.181 317 N C 1.961 177.554 175.510 0.139 0.000 1.016 317 N CA 0.530 53.590 53.050 0.016 0.000 0.870 317 N CB -0.635 37.892 38.487 0.067 0.000 0.979 317 N HN 0.213 nan 8.380 nan 0.000 0.431 318 V N 1.680 121.665 119.914 0.118 0.000 2.295 318 V HA -0.179 3.941 4.120 0.001 0.000 0.246 318 V C 2.341 178.490 176.094 0.093 0.000 1.049 318 V CA 1.263 63.633 62.300 0.116 0.000 1.024 318 V CB -0.504 31.332 31.823 0.023 0.000 0.648 318 V HN 0.223 nan 8.190 nan 0.000 0.447 319 L N -0.753 120.498 121.223 0.046 0.000 2.093 319 L HA -0.133 4.208 4.340 0.001 0.000 0.208 319 L C 2.753 179.679 176.870 0.094 0.000 1.085 319 L CA 1.495 56.374 54.840 0.064 0.000 0.755 319 L CB -0.556 41.513 42.059 0.017 0.000 0.904 319 L HN 0.222 nan 8.230 nan 0.000 0.435 320 R N -1.010 119.516 120.500 0.043 0.000 2.092 320 R HA -0.164 4.176 4.340 0.001 0.000 0.231 320 R C 2.143 178.485 176.300 0.070 0.000 1.119 320 R CA 1.733 57.850 56.100 0.029 0.000 0.970 320 R CB -0.361 29.880 30.300 -0.099 0.000 0.864 320 R HN 0.378 nan 8.270 nan 0.000 0.440 321 W N 0.662 122.013 121.300 0.085 0.000 2.381 321 W HA -0.105 4.556 4.660 0.001 0.000 0.301 321 W C 2.587 179.151 176.519 0.075 0.000 1.205 321 W CA 0.795 58.183 57.345 0.072 0.000 1.285 321 W CB -0.225 29.225 29.460 -0.017 0.000 1.133 321 W HN 0.164 nan 8.180 nan 0.000 0.521 322 A N 0.468 123.438 122.820 0.249 0.000 1.883 322 A HA -0.218 4.103 4.320 0.001 0.000 0.217 322 A C 1.808 179.567 177.584 0.292 0.000 1.186 322 A CA 1.864 54.013 52.037 0.186 0.000 0.624 322 A CB -1.021 17.977 19.000 -0.004 0.000 0.822 322 A HN 0.301 nan 8.150 nan 0.000 0.444 323 I N -0.959 119.745 120.570 0.222 0.000 2.226 323 I HA -0.239 3.931 4.170 0.001 0.000 0.245 323 I C 2.420 178.521 176.117 -0.027 0.000 1.100 323 I CA 1.163 62.511 61.300 0.081 0.000 1.374 323 I CB -0.291 37.664 38.000 -0.074 0.000 1.057 323 I HN 0.380 nan 8.210 nan 0.000 0.413 324 L N 0.524 121.730 121.223 -0.028 0.000 1.989 324 L HA -0.229 4.112 4.340 0.001 0.000 0.211 324 L C 2.240 179.077 176.870 -0.056 0.000 1.071 324 L CA 2.068 56.788 54.840 -0.201 0.000 0.749 324 L CB -0.819 41.036 42.059 -0.340 0.000 0.890 324 L HN 0.086 nan 8.230 nan 0.000 0.431 325 F N -1.784 118.110 119.950 -0.093 0.000 2.234 325 F HA -0.224 4.304 4.527 0.001 0.000 0.299 325 F C 2.289 178.070 175.800 -0.032 0.000 1.087 325 F CA 0.681 58.590 58.000 -0.150 0.000 1.340 325 F CB -0.243 38.586 39.000 -0.285 0.000 1.031 325 F HN 0.104 nan 8.300 nan 0.000 0.500 326 M N -0.214 119.503 119.600 0.196 0.000 2.132 326 M HA -0.099 4.382 4.480 0.001 0.000 0.263 326 M C 2.550 178.819 176.300 -0.052 0.000 1.065 326 M CA 1.487 56.879 55.300 0.154 0.000 1.122 326 M CB -1.691 31.010 32.600 0.169 0.000 1.365 326 M HN 0.156 nan 8.290 nan 0.000 0.411 327 A N -0.039 122.617 122.820 -0.274 0.000 1.930 327 A HA -0.131 4.190 4.320 0.001 0.000 0.217 327 A C 2.223 179.524 177.584 -0.471 0.000 1.175 327 A CA 1.219 52.897 52.037 -0.599 0.000 0.627 327 A CB -0.860 17.379 19.000 -1.268 0.000 0.815 327 A HN 0.405 nan 8.150 nan 0.000 0.443 328 L N -1.663 119.369 121.223 -0.318 0.000 2.083 328 L HA -0.037 4.304 4.340 0.001 0.000 0.209 328 L C 0.368 177.023 176.870 -0.358 0.000 1.083 328 L CA 1.524 56.180 54.840 -0.306 0.000 0.752 328 L CB -0.376 41.231 42.059 -0.752 0.000 0.899 328 L HN 0.471 nan 8.230 nan 0.000 0.433 329 Y N -0.049 120.278 120.300 0.046 0.000 2.837 329 Y HA 0.313 4.864 4.550 0.001 0.000 0.356 329 Y C -1.497 174.477 175.900 0.123 0.000 1.035 329 Y CA -2.036 56.128 58.100 0.107 0.000 1.165 329 Y CB 0.299 38.867 38.460 0.179 0.000 1.147 329 Y HN 0.114 nan 8.280 nan 0.000 0.628 330 P HA -0.175 nan 4.420 nan 0.000 0.219 330 P C 0.677 178.090 177.300 0.189 0.000 1.146 330 P CA 1.391 64.600 63.100 0.181 0.000 0.808 330 P CB 0.532 32.331 31.700 0.166 0.000 0.779 331 N N -0.148 118.668 118.700 0.194 0.000 2.244 331 N HA -0.041 4.700 4.740 0.001 0.000 0.183 331 N C 1.931 177.553 175.510 0.186 0.000 1.016 331 N CA 0.820 53.964 53.050 0.155 0.000 0.866 331 N CB -0.585 37.978 38.487 0.126 0.000 0.980 331 N HN 0.276 nan 8.380 nan 0.000 0.430 332 I N 0.865 121.601 120.570 0.277 0.000 2.277 332 I HA -0.207 3.964 4.170 0.001 0.000 0.243 332 I C 2.553 178.886 176.117 0.361 0.000 1.094 332 I CA 0.693 62.217 61.300 0.374 0.000 1.393 332 I CB -0.260 38.023 38.000 0.471 0.000 1.078 332 I HN 0.139 nan 8.210 nan 0.000 0.417 333 Q N 1.157 121.132 119.800 0.293 0.000 2.112 333 Q HA -0.228 4.113 4.340 0.001 0.000 0.206 333 Q C 2.170 178.271 176.000 0.168 0.000 0.987 333 Q CA 2.222 58.151 55.803 0.210 0.000 0.858 333 Q CB -0.319 28.504 28.738 0.142 0.000 0.905 333 Q HN 0.582 nan 8.270 nan 0.000 0.420 334 G N -0.054 108.840 108.800 0.157 0.000 2.408 334 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 334 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 334 G C 1.356 176.306 174.900 0.083 0.000 1.150 334 G CA 0.399 45.564 45.100 0.109 0.000 0.776 334 G HN 0.249 nan 8.290 nan 0.000 0.542 335 Q N 0.281 120.130 119.800 0.082 0.000 2.124 335 Q HA -0.052 4.289 4.340 0.001 0.000 0.202 335 Q C 2.958 179.025 176.000 0.111 0.000 0.977 335 Q CA 0.873 56.665 55.803 -0.017 0.000 0.850 335 Q CB -0.652 27.902 28.738 -0.306 0.000 0.901 335 Q HN 0.390 nan 8.270 nan 0.000 0.429 336 V N 0.847 120.921 119.914 0.266 0.000 2.295 336 V HA -0.277 3.844 4.120 0.001 0.000 0.246 336 V C 2.319 178.485 176.094 0.120 0.000 1.049 336 V CA 1.890 64.350 62.300 0.267 0.000 1.024 336 V CB -0.504 31.464 31.823 0.243 0.000 0.648 336 V HN 0.395 nan 8.190 nan 0.000 0.447 337 Q N -0.261 119.585 119.800 0.078 0.000 2.124 337 Q HA -0.253 4.088 4.340 0.001 0.000 0.202 337 Q C 2.328 178.363 176.000 0.058 0.000 0.977 337 Q CA 1.834 57.667 55.803 0.050 0.000 0.850 337 Q CB -0.252 28.516 28.738 0.050 0.000 0.901 337 Q HN 0.590 nan 8.270 nan 0.000 0.429 338 K N 1.126 121.558 120.400 0.052 0.000 2.044 338 K HA -0.271 4.050 4.320 0.001 0.000 0.210 338 K C 1.951 178.574 176.600 0.038 0.000 1.049 338 K CA 1.766 58.074 56.287 0.034 0.000 0.927 338 K CB -0.025 32.479 32.500 0.006 0.000 0.713 338 K HN 0.164 nan 8.250 nan 0.000 0.443 339 E N 0.304 120.536 120.200 0.054 0.000 2.106 339 E HA -0.164 4.187 4.350 0.001 0.000 0.192 339 E C 1.993 178.633 176.600 0.066 0.000 0.984 339 E CA 1.074 57.515 56.400 0.067 0.000 0.806 339 E CB -0.026 29.745 29.700 0.118 0.000 0.750 339 E HN 0.372 nan 8.360 nan 0.000 0.458 340 I N 1.481 122.087 120.570 0.061 0.000 2.142 340 I HA -0.293 3.877 4.170 0.001 0.000 0.240 340 I C 1.922 178.063 176.117 0.041 0.000 1.078 340 I CA 1.364 62.690 61.300 0.043 0.000 1.343 340 I CB -0.323 37.690 38.000 0.021 0.000 1.046 340 I HN 0.105 nan 8.210 nan 0.000 0.405 341 D N 0.743 121.171 120.400 0.046 0.000 2.123 341 D HA -0.205 4.436 4.640 0.001 0.000 0.196 341 D C 2.012 178.322 176.300 0.016 0.000 0.992 341 D CA 1.203 55.222 54.000 0.031 0.000 0.833 341 D CB -0.417 40.411 40.800 0.046 0.000 0.954 341 D HN 0.185 nan 8.370 nan 0.000 0.455 342 L N 0.131 121.368 121.223 0.023 0.000 2.017 342 L HA -0.133 4.207 4.340 0.001 0.000 0.208 342 L C 1.961 178.844 176.870 0.022 0.000 1.073 342 L CA 1.378 56.229 54.840 0.018 0.000 0.745 342 L CB -0.035 42.035 42.059 0.019 0.000 0.894 342 L HN -0.004 nan 8.230 nan 0.000 0.432 343 I N -1.632 118.959 120.570 0.035 0.000 2.810 343 I HA -0.048 4.123 4.170 0.001 0.000 0.262 343 I C 2.210 178.352 176.117 0.043 0.000 1.131 343 I CA 1.098 62.425 61.300 0.044 0.000 1.453 343 I CB -0.624 37.417 38.000 0.067 0.000 1.161 343 I HN 0.288 nan 8.210 nan 0.000 0.444 344 M N -0.019 119.606 119.600 0.040 0.000 2.486 344 M HA 0.241 4.721 4.480 0.001 0.000 0.264 344 M C 0.926 177.231 176.300 0.008 0.000 1.125 344 M CA 0.468 55.788 55.300 0.033 0.000 1.144 344 M CB 0.244 32.865 32.600 0.035 0.000 1.353 344 M HN 0.300 nan 8.290 nan 0.000 0.466 345 G N 1.325 110.123 108.800 -0.003 0.000 2.755 345 G HA2 -0.153 3.807 3.960 0.001 0.000 0.686 345 G HA3 -0.153 3.807 3.960 0.001 0.000 0.686 345 G C -2.426 172.435 174.900 -0.066 0.000 1.427 345 G CA -0.739 44.338 45.100 -0.038 0.000 0.873 345 G HN 0.144 nan 8.290 nan 0.000 0.580 346 P HA 0.038 nan 4.420 nan 0.000 0.229 346 P C 1.180 178.329 177.300 -0.253 0.000 1.160 346 P CA 2.081 64.969 63.100 -0.354 0.000 0.777 346 P CB -0.098 31.031 31.700 -0.953 0.000 0.814 347 N N -0.451 118.154 118.700 -0.157 0.000 2.181 347 N HA 0.215 4.956 4.740 0.001 0.000 0.207 347 N C 1.164 176.648 175.510 -0.043 0.000 1.182 347 N CA 0.205 53.203 53.050 -0.087 0.000 0.893 347 N CB -0.182 38.249 38.487 -0.092 0.000 1.032 347 N HN 0.191 nan 8.380 nan 0.000 0.513 348 G N 0.113 108.893 108.800 -0.034 0.000 2.483 348 G HA2 0.458 4.419 3.960 0.001 0.000 0.248 348 G HA3 0.458 4.419 3.960 0.001 0.000 0.248 348 G C 0.347 175.250 174.900 0.004 0.000 1.248 348 G CA 0.471 45.564 45.100 -0.010 0.000 0.838 348 G HN 0.864 nan 8.290 nan 0.000 0.566 349 K N 3.118 123.525 120.400 0.011 0.000 2.349 349 K HA 0.483 4.804 4.320 0.001 0.000 0.288 349 K C -2.133 174.493 176.600 0.043 0.000 1.058 349 K CA -1.337 54.962 56.287 0.019 0.000 0.953 349 K CB -0.165 32.344 32.500 0.014 0.000 0.997 349 K HN 0.533 nan 8.250 nan 0.000 0.477 350 P HA 0.111 nan 4.420 nan 0.000 0.264 350 P C -0.406 176.979 177.300 0.142 0.000 1.183 350 P CA 0.029 63.177 63.100 0.080 0.000 0.763 350 P CB 0.962 32.681 31.700 0.032 0.000 0.807 351 S N 2.292 118.130 115.700 0.231 0.000 2.541 351 S HA 0.242 4.713 4.470 0.001 0.000 0.280 351 S C 0.383 175.232 174.600 0.416 0.000 1.112 351 S CA -0.852 57.509 58.200 0.268 0.000 0.925 351 S CB 0.510 63.813 63.200 0.173 0.000 1.067 351 S HN 0.673 nan 8.310 nan 0.000 0.479 352 W N 3.580 124.979 121.300 0.165 0.000 2.374 352 W HA -0.134 4.527 4.660 0.001 0.000 0.288 352 W C 0.183 176.656 176.519 -0.077 0.000 1.218 352 W CA 1.888 59.248 57.345 0.025 0.000 1.245 352 W CB -0.148 29.315 29.460 0.005 0.000 1.126 352 W HN 0.827 nan 8.180 nan 0.000 0.545 353 D N 0.518 120.908 120.400 -0.017 0.000 2.264 353 D HA -0.165 4.476 4.640 0.001 0.000 0.208 353 D C 1.428 177.650 176.300 -0.130 0.000 0.966 353 D CA 1.298 55.219 54.000 -0.132 0.000 0.864 353 D CB -0.512 40.291 40.800 0.006 0.000 0.933 353 D HN 0.053 nan 8.370 nan 0.000 0.499 354 D N 0.382 120.772 120.400 -0.016 0.000 2.310 354 D HA -0.131 4.510 4.640 0.001 0.000 0.212 354 D C 1.778 178.075 176.300 -0.005 0.000 0.965 354 D CA 0.458 54.493 54.000 0.059 0.000 0.879 354 D CB -0.064 40.866 40.800 0.217 0.000 0.921 354 D HN 0.282 nan 8.370 nan 0.000 0.510 355 K N 1.053 121.241 120.400 -0.354 0.000 2.063 355 K HA -0.180 4.141 4.320 0.001 0.000 0.208 355 K C 2.110 178.528 176.600 -0.303 0.000 1.048 355 K CA 1.659 57.560 56.287 -0.643 0.000 0.928 355 K CB -0.188 31.419 32.500 -1.489 0.000 0.713 355 K HN 0.339 nan 8.250 nan 0.000 0.442 356 C N 0.313 119.453 119.300 -0.266 0.000 2.437 356 C HA 0.114 4.575 4.460 0.001 0.000 0.283 356 C C 1.622 176.633 174.990 0.035 0.000 1.424 356 C CA 0.125 59.084 59.018 -0.098 0.000 1.782 356 C CB -0.769 26.916 27.740 -0.092 0.000 1.833 356 C HN 0.292 nan 8.230 nan 0.000 0.532 357 K N 0.093 120.509 120.400 0.027 0.000 2.372 357 K HA 0.333 4.654 4.320 0.001 0.000 0.200 357 K C 0.399 177.039 176.600 0.067 0.000 1.022 357 K CA 0.210 56.536 56.287 0.065 0.000 1.125 357 K CB 0.129 32.665 32.500 0.059 0.000 0.855 357 K HN 0.539 nan 8.250 nan 0.000 0.524 358 M N 1.449 121.101 119.600 0.087 0.000 2.952 358 M HA 0.152 4.633 4.480 0.001 0.000 0.259 358 M C -2.089 174.297 176.300 0.142 0.000 1.306 358 M CA -1.518 53.869 55.300 0.145 0.000 0.626 358 M CB 1.207 33.963 32.600 0.259 0.000 1.423 358 M HN -0.162 nan 8.290 nan 0.000 0.459 359 P HA -0.198 nan 4.420 nan 0.000 0.217 359 P C 1.114 178.534 177.300 0.200 0.000 1.150 359 P CA 1.488 64.678 63.100 0.149 0.000 0.832 359 P CB 0.088 31.826 31.700 0.064 0.000 0.787 360 Y N 1.071 121.426 120.300 0.091 0.000 2.263 360 Y HA -0.093 4.457 4.550 0.001 0.000 0.292 360 Y C 2.391 178.384 175.900 0.155 0.000 1.130 360 Y CA 1.790 59.955 58.100 0.109 0.000 1.179 360 Y CB -0.942 37.563 38.460 0.075 0.000 0.998 360 Y HN -0.113 nan 8.280 nan 0.000 0.532 361 T N -0.026 114.650 114.554 0.204 0.000 2.746 361 T HA -0.214 4.137 4.350 0.001 0.000 0.267 361 T C 1.739 176.520 174.700 0.136 0.000 1.039 361 T CA 1.772 64.007 62.100 0.224 0.000 1.142 361 T CB -0.226 68.824 68.868 0.302 0.000 0.866 361 T HN 0.425 nan 8.240 nan 0.000 0.444 362 E N 0.449 120.703 120.200 0.090 0.000 2.072 362 E HA -0.089 4.262 4.350 0.001 0.000 0.191 362 E C 2.462 179.017 176.600 -0.074 0.000 0.985 362 E CA 0.853 57.211 56.400 -0.069 0.000 0.801 362 E CB -0.151 29.319 29.700 -0.383 0.000 0.750 362 E HN 0.465 nan 8.360 nan 0.000 0.452 363 A N 0.440 123.267 122.820 0.013 0.000 1.908 363 A HA -0.163 4.158 4.320 0.001 0.000 0.218 363 A C 2.386 179.882 177.584 -0.145 0.000 1.181 363 A CA 1.388 53.451 52.037 0.044 0.000 0.627 363 A CB -0.652 18.367 19.000 0.032 0.000 0.818 363 A HN 0.194 nan 8.150 nan 0.000 0.445 364 V N 0.014 119.787 119.914 -0.235 0.000 2.343 364 V HA -0.238 3.883 4.120 0.001 0.000 0.247 364 V C 2.548 178.558 176.094 -0.140 0.000 1.051 364 V CA 1.872 64.069 62.300 -0.172 0.000 1.036 364 V CB -0.691 31.101 31.823 -0.052 0.000 0.654 364 V HN 0.559 nan 8.190 nan 0.000 0.451 365 L N -0.991 120.115 121.223 -0.195 0.000 2.056 365 L HA -0.165 4.176 4.340 0.001 0.000 0.207 365 L C 2.557 179.254 176.870 -0.288 0.000 1.078 365 L CA 1.698 56.370 54.840 -0.281 0.000 0.749 365 L CB -0.724 41.179 42.059 -0.260 0.000 0.901 365 L HN 0.378 nan 8.230 nan 0.000 0.433 366 H N -0.951 117.908 119.070 -0.352 0.000 2.387 366 H HA -0.195 4.362 4.556 0.001 0.000 0.299 366 H C 2.146 177.223 175.328 -0.419 0.000 1.090 366 H CA 1.494 57.250 56.048 -0.487 0.000 1.332 366 H CB 0.133 29.372 29.762 -0.872 0.000 1.386 366 H HN 0.224 nan 8.280 nan 0.000 0.516 367 E N 0.304 120.391 120.200 -0.188 0.000 2.152 367 E HA -0.082 4.269 4.350 0.001 0.000 0.192 367 E C 2.084 178.732 176.600 0.079 0.000 0.983 367 E CA 0.567 56.972 56.400 0.009 0.000 0.818 367 E CB -0.177 29.415 29.700 -0.180 0.000 0.758 367 E HN 0.211 nan 8.360 nan 0.000 0.467 368 V N 0.814 120.772 119.914 0.073 0.000 2.332 368 V HA -0.268 3.853 4.120 0.001 0.000 0.248 368 V C 2.378 178.412 176.094 -0.099 0.000 1.055 368 V CA 1.693 63.994 62.300 0.002 0.000 1.038 368 V CB -0.468 31.308 31.823 -0.078 0.000 0.651 368 V HN 0.333 nan 8.190 nan 0.000 0.450 369 L N -0.699 120.438 121.223 -0.143 0.000 2.027 369 L HA -0.152 4.189 4.340 0.001 0.000 0.206 369 L C 2.758 179.491 176.870 -0.229 0.000 1.074 369 L CA 1.775 56.499 54.840 -0.193 0.000 0.745 369 L CB -0.641 41.276 42.059 -0.236 0.000 0.898 369 L HN 0.233 nan 8.230 nan 0.000 0.433 370 R N -0.346 119.996 120.500 -0.263 0.000 2.073 370 R HA -0.223 4.118 4.340 0.001 0.000 0.234 370 R C 2.387 178.635 176.300 -0.086 0.000 1.134 370 R CA 1.933 57.783 56.100 -0.417 0.000 0.952 370 R CB -0.304 29.754 30.300 -0.404 0.000 0.850 370 R HN 0.187 nan 8.270 nan 0.000 0.433 371 F N 0.080 119.954 119.950 -0.126 0.000 2.187 371 F HA -0.095 4.433 4.527 0.001 0.000 0.295 371 F C 2.015 177.804 175.800 -0.019 0.000 1.091 371 F CA 1.090 59.101 58.000 0.019 0.000 1.308 371 F CB -0.128 38.933 39.000 0.102 0.000 1.030 371 F HN 0.062 nan 8.300 nan 0.000 0.487 372 C N 0.289 119.428 119.300 -0.268 0.000 2.634 372 C HA 0.166 4.627 4.460 0.001 0.000 0.268 372 C C 0.233 174.926 174.990 -0.496 0.000 1.322 372 C CA -0.270 58.337 59.018 -0.685 0.000 1.737 372 C CB -1.653 25.439 27.740 -1.081 0.000 1.976 372 C HN 0.494 nan 8.230 nan 0.000 0.547 373 N N 1.140 119.708 118.700 -0.221 0.000 2.614 373 N HA -0.159 4.582 4.740 0.001 0.000 0.276 373 N C 0.279 175.704 175.510 -0.143 0.000 1.119 373 N CA 0.346 53.336 53.050 -0.100 0.000 0.742 373 N CB -0.577 37.878 38.487 -0.053 0.000 0.900 373 N HN 0.398 nan 8.380 nan 0.000 0.549 374 I N 0.139 120.654 120.570 -0.093 0.000 2.394 374 I HA -0.156 4.015 4.170 0.001 0.000 0.251 374 I C 1.244 177.346 176.117 -0.026 0.000 1.136 374 I CA 1.309 62.603 61.300 -0.010 0.000 1.425 374 I CB 0.181 38.198 38.000 0.027 0.000 1.079 374 I HN 0.255 nan 8.210 nan 0.000 0.425 375 V N 2.957 122.841 119.914 -0.050 0.000 2.235 375 V HA 0.225 4.346 4.120 0.001 0.000 0.266 375 V C -1.443 174.627 176.094 -0.039 0.000 1.055 375 V CA -0.984 61.296 62.300 -0.033 0.000 0.844 375 V CB 0.571 32.382 31.823 -0.020 0.000 1.097 375 V HN 0.117 nan 8.190 nan 0.000 0.453 376 P HA -0.049 nan 4.420 nan 0.000 0.217 376 P C 0.872 178.158 177.300 -0.023 0.000 1.151 376 P CA 1.103 64.094 63.100 -0.182 0.000 0.828 376 P CB 0.652 32.006 31.700 -0.576 0.000 0.788 377 L N -1.344 119.916 121.223 0.062 0.000 3.110 377 L HA 0.346 4.687 4.340 0.001 0.000 0.266 377 L C 1.367 178.368 176.870 0.219 0.000 1.257 377 L CA -0.207 54.738 54.840 0.175 0.000 1.038 377 L CB -0.349 41.891 42.059 0.302 0.000 1.395 377 L HN 0.069 nan 8.230 nan 0.000 0.566 378 G N 1.561 110.444 108.800 0.139 0.000 2.602 378 G HA2 -0.319 3.642 3.960 0.001 0.000 0.306 378 G HA3 -0.319 3.642 3.960 0.001 0.000 0.306 378 G C -0.127 174.868 174.900 0.159 0.000 1.301 378 G CA 0.063 45.255 45.100 0.153 0.000 0.974 378 G HN 0.190 nan 8.290 nan 0.000 0.547 379 I N 0.316 120.995 120.570 0.182 0.000 2.530 379 I HA 0.414 4.585 4.170 0.001 0.000 0.297 379 I C 0.392 176.691 176.117 0.304 0.000 1.011 379 I CA -0.772 60.586 61.300 0.097 0.000 1.107 379 I CB 1.671 39.649 38.000 -0.036 0.000 1.285 379 I HN 0.398 nan 8.210 nan 0.000 0.436 380 F N 4.226 124.245 119.950 0.115 0.000 2.572 380 F HA 0.114 4.641 4.527 0.001 0.000 0.370 380 F C 1.114 176.978 175.800 0.106 0.000 1.103 380 F CA -0.103 57.994 58.000 0.161 0.000 1.286 380 F CB 0.295 39.402 39.000 0.178 0.000 1.105 380 F HN 0.460 nan 8.300 nan 0.000 0.583 381 H N 1.041 120.248 119.070 0.229 0.000 2.585 381 H HA 0.785 5.342 4.556 0.001 0.000 0.338 381 H C -0.550 174.837 175.328 0.098 0.000 1.295 381 H CA -0.873 55.248 56.048 0.122 0.000 1.356 381 H CB 1.873 31.695 29.762 0.100 0.000 1.736 381 H HN 0.674 nan 8.280 nan 0.000 0.629 382 A N 0.336 123.254 122.820 0.163 0.000 2.587 382 A HA 0.377 4.698 4.320 0.001 0.000 0.293 382 A C -0.553 177.002 177.584 -0.049 0.000 1.087 382 A CA -0.756 51.315 52.037 0.057 0.000 0.692 382 A CB 0.982 20.003 19.000 0.034 0.000 1.291 382 A HN 0.658 nan 8.150 nan 0.000 0.407 383 T N -0.118 114.344 114.554 -0.153 0.000 2.832 383 T HA 0.416 4.766 4.350 0.001 0.000 0.296 383 T C 1.100 175.690 174.700 -0.183 0.000 0.968 383 T CA 0.228 62.133 62.100 -0.325 0.000 1.107 383 T CB 0.985 69.633 68.868 -0.365 0.000 0.916 383 T HN 1.333 nan 8.240 nan 0.000 0.517 384 S N 1.116 116.708 115.700 -0.180 0.000 2.527 384 S HA 0.119 4.590 4.470 0.001 0.000 0.222 384 S C 0.403 174.967 174.600 -0.060 0.000 0.985 384 S CA -0.209 57.946 58.200 -0.074 0.000 0.921 384 S CB -0.597 62.595 63.200 -0.014 0.000 0.772 384 S HN 0.966 nan 8.310 nan 0.000 0.529 385 E N -0.529 119.607 120.200 -0.106 0.000 2.447 385 E HA 0.389 4.740 4.350 0.001 0.000 0.279 385 E C -2.120 174.424 176.600 -0.094 0.000 1.053 385 E CA -1.222 55.136 56.400 -0.071 0.000 0.840 385 E CB -0.118 29.559 29.700 -0.039 0.000 1.409 385 E HN -0.143 nan 8.360 nan 0.000 0.461 386 D N 0.480 120.850 120.400 -0.050 0.000 2.487 386 D HA 0.344 4.984 4.640 0.001 0.000 0.243 386 D C -0.670 175.606 176.300 -0.041 0.000 1.154 386 D CA 0.674 54.654 54.000 -0.033 0.000 0.876 386 D CB 0.995 41.794 40.800 -0.003 0.000 1.161 386 D HN 0.594 nan 8.370 nan 0.000 0.478 387 A N 2.148 124.944 122.820 -0.041 0.000 2.380 387 A HA 0.663 4.984 4.320 0.001 0.000 0.315 387 A C -0.811 176.814 177.584 0.067 0.000 1.101 387 A CA -0.686 51.340 52.037 -0.018 0.000 0.771 387 A CB 1.568 20.482 19.000 -0.143 0.000 1.287 387 A HN 0.313 nan 8.150 nan 0.000 0.436 388 V N 1.840 121.811 119.914 0.096 0.000 2.444 388 V HA 0.519 4.640 4.120 0.001 0.000 0.294 388 V C -0.793 175.376 176.094 0.124 0.000 1.022 388 V CA -0.414 61.949 62.300 0.104 0.000 0.850 388 V CB 1.439 33.303 31.823 0.068 0.000 0.992 388 V HN 0.665 nan 8.190 nan 0.000 0.426 389 V N 5.452 125.448 119.914 0.136 0.000 2.483 389 V HA 0.542 4.663 4.120 0.001 0.000 0.297 389 V C 0.519 176.650 176.094 0.062 0.000 1.027 389 V CA -0.933 61.430 62.300 0.105 0.000 0.855 389 V CB 1.440 33.335 31.823 0.119 0.000 0.995 389 V HN 0.899 nan 8.190 nan 0.000 0.424 390 R N 3.393 123.892 120.500 -0.001 0.000 3.516 390 R HA -0.252 4.089 4.340 0.001 0.000 0.271 390 R C 1.263 177.432 176.300 -0.218 0.000 1.098 390 R CA 0.785 56.843 56.100 -0.072 0.000 0.732 390 R CB -1.594 28.684 30.300 -0.037 0.000 1.152 390 R HN 1.643 nan 8.270 nan 0.000 0.455 391 G N -1.623 107.081 108.800 -0.159 0.000 2.241 391 G HA2 -0.369 3.591 3.960 0.001 0.000 0.244 391 G HA3 -0.369 3.591 3.960 0.001 0.000 0.244 391 G C 0.038 174.815 174.900 -0.206 0.000 0.998 391 G CA 0.370 45.340 45.100 -0.217 0.000 0.621 391 G HN 0.431 nan 8.290 nan 0.000 0.519 392 Y N 1.512 121.820 120.300 0.013 0.000 2.308 392 Y HA 0.582 5.133 4.550 0.002 0.000 0.329 392 Y C 0.988 176.907 175.900 0.031 0.000 1.111 392 Y CA -0.030 58.074 58.100 0.007 0.000 1.179 392 Y CB 1.699 40.127 38.460 -0.052 0.000 1.201 392 Y HN 0.131 nan 8.280 nan 0.000 0.483 393 S N 4.490 120.337 115.700 0.245 0.000 2.523 393 S HA 0.498 4.968 4.470 0.001 0.000 0.275 393 S C -0.677 174.065 174.600 0.237 0.000 1.281 393 S CA -0.510 57.807 58.200 0.195 0.000 1.050 393 S CB -0.151 63.154 63.200 0.174 0.000 0.937 393 S HN 0.553 nan 8.310 nan 0.000 0.492 394 I N 6.828 127.504 120.570 0.177 0.000 2.437 394 I HA 0.329 4.499 4.170 0.001 0.000 0.279 394 I C -2.415 173.770 176.117 0.113 0.000 1.028 394 I CA -2.438 58.977 61.300 0.192 0.000 1.142 394 I CB 1.866 39.933 38.000 0.111 0.000 1.266 394 I HN 0.427 nan 8.210 nan 0.000 0.461 395 P HA 0.012 nan 4.420 nan 0.000 0.269 395 P C -0.376 176.920 177.300 -0.007 0.000 1.209 395 P CA -0.456 62.665 63.100 0.036 0.000 0.776 395 P CB 0.568 32.270 31.700 0.004 0.000 0.876 396 K N 1.942 122.323 120.400 -0.031 0.000 2.569 396 K HA 0.049 4.370 4.320 0.001 0.000 0.280 396 K C 1.189 177.766 176.600 -0.039 0.000 0.984 396 K CA 1.267 57.524 56.287 -0.049 0.000 1.064 396 K CB -0.892 31.586 32.500 -0.036 0.000 0.866 396 K HN 0.765 nan 8.250 nan 0.000 0.492 397 G N 2.399 111.172 108.800 -0.044 0.000 2.205 397 G HA2 -0.279 3.682 3.960 0.001 0.000 0.261 397 G HA3 -0.279 3.682 3.960 0.001 0.000 0.261 397 G C 0.151 175.041 174.900 -0.016 0.000 0.980 397 G CA 0.440 45.523 45.100 -0.027 0.000 0.632 397 G HN 0.740 nan 8.290 nan 0.000 0.533 398 T N 2.662 117.211 114.554 -0.008 0.000 2.905 398 T HA 0.391 4.742 4.350 0.001 0.000 0.299 398 T C 0.880 175.594 174.700 0.022 0.000 1.024 398 T CA 0.989 63.105 62.100 0.026 0.000 1.151 398 T CB 0.842 69.772 68.868 0.104 0.000 0.987 398 T HN 0.341 nan 8.240 nan 0.000 0.535 399 T N 3.502 118.065 114.554 0.015 0.000 2.916 399 T HA 0.318 4.669 4.350 0.001 0.000 0.303 399 T C 0.165 174.850 174.700 -0.025 0.000 1.025 399 T CA -0.418 61.685 62.100 0.005 0.000 1.142 399 T CB 0.397 69.238 68.868 -0.045 0.000 0.947 399 T HN 0.371 nan 8.240 nan 0.000 0.544 400 V N 5.207 125.126 119.914 0.008 0.000 2.409 400 V HA 0.387 4.507 4.120 0.001 0.000 0.290 400 V C -0.003 176.054 176.094 -0.061 0.000 1.017 400 V CA -0.766 61.532 62.300 -0.004 0.000 0.841 400 V CB 1.266 33.178 31.823 0.148 0.000 1.003 400 V HN 0.776 nan 8.190 nan 0.000 0.426 401 I N 4.509 124.950 120.570 -0.216 0.000 2.325 401 I HA 0.311 4.482 4.170 0.001 0.000 0.291 401 I C 0.690 176.743 176.117 -0.107 0.000 1.019 401 I CA -0.128 61.039 61.300 -0.221 0.000 1.302 401 I CB 1.767 39.541 38.000 -0.377 0.000 1.401 401 I HN 0.684 nan 8.210 nan 0.000 0.485 402 T N 1.903 116.451 114.554 -0.011 0.000 2.762 402 T HA 0.190 4.541 4.350 0.001 0.000 0.303 402 T C 0.095 174.805 174.700 0.016 0.000 0.977 402 T CA -0.856 61.220 62.100 -0.041 0.000 0.961 402 T CB 0.389 69.214 68.868 -0.071 0.000 0.944 402 T HN 0.418 nan 8.240 nan 0.000 0.481 403 N N 4.233 122.937 118.700 0.008 0.000 2.508 403 N HA 0.151 4.892 4.740 0.001 0.000 0.253 403 N C 0.957 176.489 175.510 0.036 0.000 1.145 403 N CA -0.578 52.515 53.050 0.073 0.000 0.973 403 N CB -0.199 38.358 38.487 0.118 0.000 1.305 403 N HN 0.709 nan 8.380 nan 0.000 0.506 404 L N 2.527 123.752 121.223 0.003 0.000 2.156 404 L HA -0.131 4.209 4.340 0.001 0.000 0.208 404 L C 1.803 178.513 176.870 -0.266 0.000 1.095 404 L CA 0.724 55.477 54.840 -0.145 0.000 0.770 404 L CB -0.549 41.436 42.059 -0.123 0.000 0.914 404 L HN 0.513 nan 8.230 nan 0.000 0.439 405 Y N 1.572 121.762 120.300 -0.184 0.000 2.114 405 Y HA -0.385 4.166 4.550 0.002 0.000 0.282 405 Y C 2.914 178.817 175.900 0.006 0.000 1.165 405 Y CA 1.914 59.949 58.100 -0.108 0.000 1.148 405 Y CB -0.451 37.929 38.460 -0.133 0.000 0.972 405 Y HN 0.257 nan 8.280 nan 0.000 0.504 406 S N -0.968 114.673 115.700 -0.098 0.000 2.442 406 S HA -0.139 4.332 4.470 0.001 0.000 0.236 406 S C 1.836 176.441 174.600 0.008 0.000 1.007 406 S CA 1.302 59.438 58.200 -0.106 0.000 0.965 406 S CB -1.060 62.182 63.200 0.070 0.000 0.773 406 S HN 0.279 nan 8.310 nan 0.000 0.504 407 V N 1.654 121.566 119.914 -0.003 0.000 2.407 407 V HA -0.090 4.031 4.120 0.001 0.000 0.245 407 V C 2.324 178.587 176.094 0.282 0.000 1.041 407 V CA 1.936 64.314 62.300 0.130 0.000 1.040 407 V CB -1.039 30.817 31.823 0.056 0.000 0.671 407 V HN 0.665 nan 8.190 nan 0.000 0.455 408 H N -1.900 117.248 119.070 0.129 0.000 2.529 408 H HA 0.044 4.601 4.556 0.001 0.000 0.277 408 H C 1.117 176.238 175.328 -0.345 0.000 0.999 408 H CA 0.840 56.815 56.048 -0.122 0.000 1.256 408 H CB 0.148 29.879 29.762 -0.051 0.000 1.402 408 H HN 0.385 nan 8.280 nan 0.000 0.566 409 F N 0.649 120.460 119.950 -0.231 0.000 2.708 409 F HA 0.109 4.637 4.527 0.002 0.000 0.300 409 F C 0.417 176.226 175.800 0.015 0.000 1.118 409 F CA -0.646 57.231 58.000 -0.205 0.000 1.307 409 F CB 0.396 39.125 39.000 -0.451 0.000 0.986 409 F HN -0.017 nan 8.300 nan 0.000 0.522 410 D N 1.251 121.866 120.400 0.357 0.000 2.336 410 D HA 0.026 4.667 4.640 0.001 0.000 0.249 410 D C 1.089 177.597 176.300 0.347 0.000 1.213 410 D CA 0.362 54.580 54.000 0.363 0.000 0.870 410 D CB 0.728 41.802 40.800 0.456 0.000 1.076 410 D HN 0.395 nan 8.370 nan 0.000 0.483 411 E N 2.825 123.139 120.200 0.190 0.000 2.347 411 E HA -0.165 4.186 4.350 0.001 0.000 0.196 411 E C 1.484 178.087 176.600 0.005 0.000 1.008 411 E CA 0.332 56.797 56.400 0.109 0.000 0.852 411 E CB 0.307 30.050 29.700 0.071 0.000 0.783 411 E HN 0.471 nan 8.360 nan 0.000 0.505 412 K N 0.300 120.670 120.400 -0.051 0.000 2.152 412 K HA -0.174 4.146 4.320 0.001 0.000 0.206 412 K C 0.940 177.213 176.600 -0.545 0.000 1.048 412 K CA 1.350 57.447 56.287 -0.318 0.000 0.933 412 K CB 0.083 32.322 32.500 -0.436 0.000 0.721 412 K HN 0.178 nan 8.250 nan 0.000 0.447 413 Y N -2.456 117.782 120.300 -0.104 0.000 2.430 413 Y HA 0.202 4.753 4.550 0.001 0.000 0.254 413 Y C -0.302 175.246 175.900 -0.588 0.000 1.088 413 Y CA -0.775 57.098 58.100 -0.379 0.000 1.267 413 Y CB 0.660 38.815 38.460 -0.508 0.000 1.204 413 Y HN -0.018 nan 8.280 nan 0.000 0.515 414 W N -0.453 120.852 121.300 0.008 0.000 2.819 414 W HA 0.579 5.240 4.660 0.002 0.000 0.337 414 W C -0.354 176.113 176.519 -0.088 0.000 1.077 414 W CA -1.149 56.152 57.345 -0.073 0.000 1.226 414 W CB 1.205 30.605 29.460 -0.100 0.000 1.419 414 W HN -0.589 nan 8.180 nan 0.000 0.502 415 R N 2.145 122.722 120.500 0.127 0.000 2.221 415 R HA 0.228 4.569 4.340 0.001 0.000 0.327 415 R C -0.579 175.747 176.300 0.043 0.000 1.033 415 R CA -0.382 55.747 56.100 0.049 0.000 0.887 415 R CB -0.163 30.141 30.300 0.007 0.000 1.057 415 R HN 0.664 nan 8.270 nan 0.000 0.455 416 D N 4.617 125.032 120.400 0.024 0.000 2.735 416 D HA -0.144 4.497 4.640 0.001 0.000 0.235 416 D C -1.556 174.719 176.300 -0.041 0.000 1.175 416 D CA 1.070 55.072 54.000 0.004 0.000 0.683 416 D CB -0.206 40.586 40.800 -0.014 0.000 1.008 416 D HN 0.524 nan 8.370 nan 0.000 0.416 417 P HA -0.184 nan 4.420 nan 0.000 0.222 417 P C 1.306 178.306 177.300 -0.500 0.000 1.147 417 P CA 1.081 63.936 63.100 -0.407 0.000 0.790 417 P CB 0.235 31.613 31.700 -0.536 0.000 0.780 418 E N 0.304 120.458 120.200 -0.077 0.000 2.478 418 E HA -0.017 4.334 4.350 0.001 0.000 0.198 418 E C 0.178 176.987 176.600 0.349 0.000 1.046 418 E CA 0.336 56.913 56.400 0.294 0.000 0.870 418 E CB -0.618 29.284 29.700 0.337 0.000 0.818 418 E HN 0.070 nan 8.360 nan 0.000 0.527 419 V N 2.296 122.274 119.914 0.106 0.000 2.427 419 V HA 0.197 4.318 4.120 0.001 0.000 0.286 419 V C -0.303 175.685 176.094 -0.176 0.000 1.034 419 V CA -0.835 61.467 62.300 0.003 0.000 0.893 419 V CB 0.734 32.525 31.823 -0.053 0.000 0.982 419 V HN 0.149 nan 8.190 nan 0.000 0.452 420 F N 5.487 125.093 119.950 -0.573 0.000 2.466 420 F HA 0.432 4.960 4.527 0.002 0.000 0.363 420 F C 0.055 175.753 175.800 -0.170 0.000 1.109 420 F CA 0.187 57.799 58.000 -0.647 0.000 1.161 420 F CB -0.035 38.556 39.000 -0.682 0.000 1.117 420 F HN 0.643 nan 8.300 nan 0.000 0.539 421 H N 7.838 126.487 119.070 -0.702 0.000 2.895 421 H HA 0.329 4.886 4.556 0.001 0.000 0.282 421 H C -2.384 172.714 175.328 -0.385 0.000 1.338 421 H CA -2.285 53.498 56.048 -0.441 0.000 1.595 421 H CB 1.019 30.641 29.762 -0.234 0.000 1.771 421 H HN 0.278 nan 8.280 nan 0.000 0.573 422 P HA -0.175 nan 4.420 nan 0.000 0.217 422 P C 0.885 178.042 177.300 -0.240 0.000 1.148 422 P CA 1.292 64.174 63.100 -0.363 0.000 0.834 422 P CB 0.512 31.956 31.700 -0.427 0.000 0.783 423 E N -0.712 119.212 120.200 -0.460 0.000 2.333 423 E HA -0.172 4.179 4.350 0.001 0.000 0.198 423 E C 1.901 178.305 176.600 -0.326 0.000 1.007 423 E CA 0.606 56.800 56.400 -0.343 0.000 0.845 423 E CB -0.797 28.671 29.700 -0.387 0.000 0.766 423 E HN 0.431 nan 8.360 nan 0.000 0.507 424 R N -0.055 120.195 120.500 -0.416 0.000 2.241 424 R HA -0.095 4.246 4.340 0.001 0.000 0.224 424 R C 1.013 177.108 176.300 -0.342 0.000 1.101 424 R CA 1.176 57.104 56.100 -0.286 0.000 0.995 424 R CB -0.461 29.678 30.300 -0.268 0.000 0.870 424 R HN 0.162 nan 8.270 nan 0.000 0.463 425 F N 1.041 120.909 119.950 -0.136 0.000 2.765 425 F HA 0.328 4.856 4.527 0.001 0.000 0.302 425 F C 0.424 176.084 175.800 -0.232 0.000 1.111 425 F CA -0.360 57.522 58.000 -0.196 0.000 1.359 425 F CB 0.467 39.412 39.000 -0.093 0.000 1.097 425 F HN -0.123 nan 8.300 nan 0.000 0.577 426 L N 0.901 122.122 121.223 -0.003 0.000 2.322 426 L HA 0.297 4.638 4.340 0.001 0.000 0.279 426 L C -0.159 176.694 176.870 -0.028 0.000 1.036 426 L CA -1.066 53.782 54.840 0.013 0.000 0.807 426 L CB 0.914 43.010 42.059 0.061 0.000 1.226 426 L HN 0.037 nan 8.230 nan 0.000 0.433 427 D N 0.095 120.495 120.400 0.001 0.000 2.451 427 D HA 0.046 4.687 4.640 0.001 0.000 0.259 427 D C 1.025 177.341 176.300 0.027 0.000 1.201 427 D CA -0.421 53.578 54.000 -0.002 0.000 1.028 427 D CB 0.826 41.630 40.800 0.007 0.000 1.095 427 D HN 0.477 nan 8.370 nan 0.000 0.539 428 S N -1.081 114.630 115.700 0.018 0.000 2.507 428 S HA -0.109 4.362 4.470 0.001 0.000 0.235 428 S C 1.204 175.835 174.600 0.052 0.000 0.988 428 S CA 0.596 58.810 58.200 0.023 0.000 0.944 428 S CB -0.578 62.627 63.200 0.008 0.000 0.762 428 S HN 0.369 nan 8.310 nan 0.000 0.526 429 S N 0.390 116.150 115.700 0.101 0.000 2.577 429 S HA 0.506 4.976 4.470 0.001 0.000 0.219 429 S C 1.353 176.054 174.600 0.168 0.000 0.962 429 S CA 0.119 58.420 58.200 0.168 0.000 0.921 429 S CB 0.208 63.551 63.200 0.239 0.000 0.789 429 S HN 1.041 nan 8.310 nan 0.000 0.497 430 G N 0.766 109.617 108.800 0.085 0.000 2.159 430 G HA2 -0.276 3.685 3.960 0.001 0.000 0.256 430 G HA3 -0.276 3.685 3.960 0.001 0.000 0.256 430 G C -0.196 174.630 174.900 -0.124 0.000 0.977 430 G CA -0.188 44.895 45.100 -0.027 0.000 0.652 430 G HN 0.506 nan 8.290 nan 0.000 0.531 431 Y N -0.577 119.757 120.300 0.056 0.000 2.352 431 Y HA 0.597 5.147 4.550 0.001 0.000 0.326 431 Y C 0.736 176.689 175.900 0.088 0.000 1.166 431 Y CA -1.279 56.870 58.100 0.082 0.000 1.182 431 Y CB 0.749 39.240 38.460 0.051 0.000 1.216 431 Y HN 0.180 nan 8.280 nan 0.000 0.474 432 F N 2.914 122.948 119.950 0.140 0.000 2.608 432 F HA 0.358 4.886 4.527 0.001 0.000 0.380 432 F C -0.011 175.827 175.800 0.063 0.000 1.083 432 F CA -0.551 57.490 58.000 0.068 0.000 1.266 432 F CB 0.079 39.078 39.000 -0.003 0.000 1.076 432 F HN 0.462 nan 8.300 nan 0.000 0.574 433 A N 7.627 129.901 122.820 -0.911 0.000 2.291 433 A HA 0.446 4.767 4.320 0.001 0.000 0.311 433 A C -0.749 176.334 177.584 -0.835 0.000 1.224 433 A CA -1.015 50.658 52.037 -0.606 0.000 0.821 433 A CB 0.446 19.256 19.000 -0.316 0.000 1.172 433 A HN 0.801 nan 8.150 nan 0.000 0.494 434 K N 2.493 122.618 120.400 -0.457 0.000 2.270 434 K HA 0.437 4.757 4.320 0.001 0.000 0.276 434 K C -0.769 175.764 176.600 -0.111 0.000 1.023 434 K CA -0.358 55.821 56.287 -0.180 0.000 0.955 434 K CB 0.818 33.369 32.500 0.085 0.000 0.975 434 K HN 0.296 nan 8.250 nan 0.000 0.471 435 K N 2.484 122.881 120.400 -0.006 0.000 2.292 435 K HA 0.124 4.444 4.320 0.001 0.000 0.257 435 K C 0.955 177.504 176.600 -0.085 0.000 0.940 435 K CA -0.133 56.087 56.287 -0.113 0.000 0.811 435 K CB 1.610 34.034 32.500 -0.127 0.000 1.120 435 K HN 0.882 nan 8.250 nan 0.000 0.428 436 E N 2.329 122.391 120.200 -0.229 0.000 2.077 436 E HA -0.132 4.219 4.350 0.001 0.000 0.193 436 E C 1.406 177.737 176.600 -0.448 0.000 0.989 436 E CA 1.954 58.194 56.400 -0.268 0.000 0.800 436 E CB -0.275 29.229 29.700 -0.327 0.000 0.746 436 E HN 0.624 nan 8.360 nan 0.000 0.452 437 A N -0.532 121.861 122.820 -0.712 0.000 2.310 437 A HA 0.493 4.814 4.320 0.001 0.000 0.230 437 A C 0.677 178.456 177.584 0.325 0.000 1.294 437 A CA 0.018 51.684 52.037 -0.619 0.000 0.898 437 A CB -0.458 18.035 19.000 -0.846 0.000 0.917 437 A HN 0.418 nan 8.150 nan 0.000 0.491 438 L N 0.701 122.160 121.223 0.393 0.000 2.276 438 L HA 0.527 4.868 4.340 0.001 0.000 0.286 438 L C -0.039 177.111 176.870 0.467 0.000 1.024 438 L CA -0.233 54.938 54.840 0.552 0.000 0.826 438 L CB 1.649 44.051 42.059 0.571 0.000 1.211 438 L HN 0.233 nan 8.230 nan 0.000 0.422 439 V N 3.854 124.161 119.914 0.655 0.000 2.656 439 V HA 0.431 4.552 4.120 0.001 0.000 0.312 439 V C -2.009 174.321 176.094 0.394 0.000 1.181 439 V CA -0.559 62.011 62.300 0.450 0.000 1.250 439 V CB 0.328 32.344 31.823 0.321 0.000 1.468 439 V HN 0.645 nan 8.190 nan 0.000 0.651 440 P HA 0.029 nan 4.420 nan 0.000 0.230 440 P C 0.756 177.913 177.300 -0.238 0.000 1.158 440 P CA 1.025 64.149 63.100 0.040 0.000 0.769 440 P CB 0.036 31.601 31.700 -0.226 0.000 0.807 441 F N -0.776 119.281 119.950 0.179 0.000 2.639 441 F HA 0.279 4.807 4.527 0.001 0.000 0.302 441 F C 1.423 177.334 175.800 0.186 0.000 1.097 441 F CA -0.076 58.020 58.000 0.160 0.000 1.294 441 F CB -0.082 39.016 39.000 0.162 0.000 1.027 441 F HN -0.124 nan 8.300 nan 0.000 0.550 442 S N 0.241 116.110 115.700 0.282 0.000 3.513 442 S HA -0.174 4.297 4.470 0.001 0.000 0.636 442 S C -0.692 174.060 174.600 0.252 0.000 2.452 442 S CA 0.306 58.647 58.200 0.234 0.000 2.644 442 S CB -0.727 62.613 63.200 0.234 0.000 0.331 442 S HN 0.238 nan 8.310 nan 0.000 1.787 443 L N 0.337 121.680 121.223 0.200 0.000 2.491 443 L HA 0.707 5.048 4.340 0.001 0.000 0.254 443 L C 0.785 177.752 176.870 0.162 0.000 1.048 443 L CA -0.254 54.675 54.840 0.148 0.000 0.855 443 L CB 1.516 43.611 42.059 0.061 0.000 1.466 443 L HN 1.710 nan 8.230 nan 0.000 0.409 444 G N 0.440 109.317 108.800 0.128 0.000 2.584 444 G HA2 -0.195 3.765 3.960 0.001 0.000 0.229 444 G HA3 -0.195 3.765 3.960 0.001 0.000 0.229 444 G C 0.385 175.467 174.900 0.303 0.000 1.320 444 G CA -0.053 45.135 45.100 0.147 0.000 0.891 444 G HN 0.571 nan 8.290 nan 0.000 0.573 445 R N 0.102 120.735 120.500 0.223 0.000 2.096 445 R HA -0.001 4.340 4.340 0.001 0.000 0.235 445 R C 2.369 178.872 176.300 0.339 0.000 1.127 445 R CA 1.485 57.755 56.100 0.282 0.000 0.968 445 R CB -0.337 29.991 30.300 0.047 0.000 0.861 445 R HN 0.462 nan 8.270 nan 0.000 0.440 446 R N 1.544 122.174 120.500 0.217 0.000 2.334 446 R HA 0.025 4.366 4.340 0.001 0.000 0.220 446 R C 0.474 176.887 176.300 0.190 0.000 0.917 446 R CA -0.085 56.128 56.100 0.188 0.000 1.073 446 R CB -0.557 29.767 30.300 0.039 0.000 1.056 446 R HN 0.484 nan 8.270 nan 0.000 0.506 447 H N -0.910 118.292 119.070 0.220 0.000 2.998 447 H HA -0.063 4.494 4.556 0.001 0.000 0.353 447 H C 0.002 175.446 175.328 0.193 0.000 1.099 447 H CA -0.155 56.016 56.048 0.204 0.000 1.393 447 H CB 0.482 30.353 29.762 0.183 0.000 1.343 447 H HN -0.076 nan 8.280 nan 0.000 0.609 448 C N 5.635 125.071 119.300 0.226 0.000 2.409 448 C HA -0.068 4.393 4.460 0.001 0.000 0.398 448 C C 2.329 177.311 174.990 -0.014 0.000 1.507 448 C CA 0.100 59.209 59.018 0.152 0.000 1.460 448 C CB -2.281 25.687 27.740 0.380 0.000 2.472 448 C HN 0.876 nan 8.230 nan 0.000 0.614 449 L N 5.634 126.796 121.223 -0.102 0.000 2.141 449 L HA 0.125 4.466 4.340 0.001 0.000 0.209 449 L C 1.977 178.755 176.870 -0.153 0.000 1.094 449 L CA 2.019 56.758 54.840 -0.168 0.000 0.763 449 L CB -0.342 41.586 42.059 -0.218 0.000 0.908 449 L HN 0.863 nan 8.230 nan 0.000 0.437 450 G N -0.943 107.789 108.800 -0.112 0.000 3.371 450 G HA2 -0.050 3.911 3.960 0.001 0.000 0.248 450 G HA3 -0.050 3.911 3.960 0.001 0.000 0.248 450 G C 1.095 175.982 174.900 -0.021 0.000 1.161 450 G CA 0.183 45.248 45.100 -0.058 0.000 0.796 450 G HN 0.507 nan 8.290 nan 0.000 0.539 451 E N 0.355 120.465 120.200 -0.151 0.000 2.038 451 E HA -0.279 4.072 4.350 0.001 0.000 0.195 451 E C 1.934 178.302 176.600 -0.387 0.000 1.000 451 E CA 1.254 57.311 56.400 -0.571 0.000 0.803 451 E CB -0.178 29.056 29.700 -0.776 0.000 0.750 451 E HN 0.537 nan 8.360 nan 0.000 0.448 452 H N 0.102 118.973 119.070 -0.331 0.000 2.319 452 H HA -0.158 4.399 4.556 0.001 0.000 0.299 452 H C 2.030 177.121 175.328 -0.395 0.000 1.092 452 H CA 1.911 57.720 56.048 -0.398 0.000 1.302 452 H CB -0.350 29.069 29.762 -0.572 0.000 1.373 452 H HN 0.251 nan 8.280 nan 0.000 0.497 453 L N 0.313 121.397 121.223 -0.231 0.000 2.046 453 L HA -0.061 4.280 4.340 0.001 0.000 0.208 453 L C 2.446 179.277 176.870 -0.065 0.000 1.077 453 L CA 2.003 56.801 54.840 -0.069 0.000 0.747 453 L CB -1.225 41.032 42.059 0.329 0.000 0.896 453 L HN 0.400 nan 8.230 nan 0.000 0.432 454 A N -0.560 122.256 122.820 -0.008 0.000 1.933 454 A HA -0.203 4.118 4.320 0.001 0.000 0.218 454 A C 2.406 180.017 177.584 0.046 0.000 1.175 454 A CA 1.693 53.781 52.037 0.085 0.000 0.628 454 A CB -0.501 18.637 19.000 0.229 0.000 0.814 454 A HN 0.506 nan 8.150 nan 0.000 0.444 455 R N -1.007 119.449 120.500 -0.075 0.000 2.075 455 R HA -0.036 4.305 4.340 0.001 0.000 0.232 455 R C 2.278 178.523 176.300 -0.092 0.000 1.126 455 R CA 1.693 57.769 56.100 -0.040 0.000 0.963 455 R CB -0.386 29.878 30.300 -0.059 0.000 0.858 455 R HN 0.546 nan 8.270 nan 0.000 0.435 456 M N 0.286 119.564 119.600 -0.536 0.000 2.086 456 M HA -0.177 4.303 4.480 0.001 0.000 0.261 456 M C 1.984 178.272 176.300 -0.021 0.000 1.067 456 M CA 1.729 56.671 55.300 -0.597 0.000 1.116 456 M CB -0.275 31.819 32.600 -0.843 0.000 1.348 456 M HN 0.159 nan 8.290 nan 0.000 0.407 457 E N 0.266 120.494 120.200 0.047 0.000 2.051 457 E HA -0.197 4.153 4.350 0.001 0.000 0.192 457 E C 2.015 178.839 176.600 0.373 0.000 0.991 457 E CA 1.437 57.992 56.400 0.258 0.000 0.799 457 E CB -0.203 29.666 29.700 0.281 0.000 0.748 457 E HN 0.497 nan 8.360 nan 0.000 0.449 458 M N -0.009 119.748 119.600 0.261 0.000 2.080 458 M HA -0.195 4.286 4.480 0.001 0.000 0.260 458 M C 2.218 178.717 176.300 0.333 0.000 1.068 458 M CA 1.554 56.998 55.300 0.241 0.000 1.109 458 M CB -0.329 32.351 32.600 0.134 0.000 1.342 458 M HN 0.111 nan 8.290 nan 0.000 0.405 459 F N 0.891 120.977 119.950 0.226 0.000 2.075 459 F HA -0.191 4.337 4.527 0.001 0.000 0.297 459 F C 1.880 177.861 175.800 0.301 0.000 1.113 459 F CA 1.666 59.841 58.000 0.293 0.000 1.218 459 F CB -0.244 38.993 39.000 0.396 0.000 0.984 459 F HN -0.045 nan 8.300 nan 0.000 0.472 460 L N -1.213 120.212 121.223 0.337 0.000 2.093 460 L HA -0.197 4.144 4.340 0.001 0.000 0.208 460 L C 2.403 179.285 176.870 0.018 0.000 1.085 460 L CA 1.221 56.129 54.840 0.113 0.000 0.755 460 L CB -0.778 41.330 42.059 0.083 0.000 0.904 460 L HN 0.133 nan 8.230 nan 0.000 0.435 461 F N -1.251 118.790 119.950 0.152 0.000 2.163 461 F HA -0.220 4.308 4.527 0.002 0.000 0.297 461 F C 2.337 178.289 175.800 0.253 0.000 1.094 461 F CA 1.210 59.313 58.000 0.171 0.000 1.290 461 F CB -0.286 38.757 39.000 0.072 0.000 1.017 461 F HN -0.057 nan 8.300 nan 0.000 0.483 462 F N 1.321 121.416 119.950 0.241 0.000 2.102 462 F HA -0.228 4.300 4.527 0.001 0.000 0.298 462 F C 2.791 178.641 175.800 0.083 0.000 1.105 462 F CA 2.064 60.156 58.000 0.153 0.000 1.239 462 F CB -1.034 38.016 39.000 0.084 0.000 0.991 462 F HN 0.001 nan 8.300 nan 0.000 0.474 463 T N -1.505 113.038 114.554 -0.018 0.000 2.812 463 T HA -0.013 4.337 4.350 0.001 0.000 0.264 463 T C 2.185 176.847 174.700 -0.063 0.000 1.042 463 T CA 0.948 62.939 62.100 -0.181 0.000 1.140 463 T CB -1.155 67.486 68.868 -0.379 0.000 0.870 463 T HN 0.227 nan 8.240 nan 0.000 0.445 464 A N 1.483 124.317 122.820 0.023 0.000 1.933 464 A HA 0.137 4.458 4.320 0.001 0.000 0.218 464 A C 2.318 180.005 177.584 0.173 0.000 1.175 464 A CA 1.515 53.605 52.037 0.087 0.000 0.628 464 A CB -0.876 18.185 19.000 0.101 0.000 0.814 464 A HN 0.462 nan 8.150 nan 0.000 0.444 465 L N -0.363 121.017 121.223 0.263 0.000 2.027 465 L HA -0.023 4.318 4.340 0.001 0.000 0.206 465 L C 2.158 179.167 176.870 0.231 0.000 1.074 465 L CA 1.663 56.723 54.840 0.368 0.000 0.745 465 L CB -0.412 41.919 42.059 0.454 0.000 0.898 465 L HN 0.372 nan 8.230 nan 0.000 0.433 466 L N -0.825 120.399 121.223 0.001 0.000 2.313 466 L HA -0.132 4.209 4.340 0.001 0.000 0.214 466 L C 2.527 179.380 176.870 -0.029 0.000 1.119 466 L CA 1.041 55.834 54.840 -0.078 0.000 0.809 466 L CB -0.464 41.404 42.059 -0.319 0.000 0.933 466 L HN 0.523 nan 8.230 nan 0.000 0.449 467 Q N 0.631 120.423 119.800 -0.012 0.000 2.084 467 Q HA -0.252 4.089 4.340 0.001 0.000 0.202 467 Q C 2.317 178.301 176.000 -0.027 0.000 0.978 467 Q CA 1.728 57.545 55.803 0.024 0.000 0.844 467 Q CB 0.123 28.884 28.738 0.038 0.000 0.898 467 Q HN 0.330 nan 8.270 nan 0.000 0.426 468 R N -1.590 118.847 120.500 -0.105 0.000 2.156 468 R HA 0.133 4.474 4.340 0.001 0.000 0.207 468 R C -0.445 175.467 176.300 -0.648 0.000 1.040 468 R CA 0.160 56.018 56.100 -0.403 0.000 1.013 468 R CB 0.458 30.436 30.300 -0.537 0.000 0.931 468 R HN 0.052 nan 8.270 nan 0.000 0.465 469 F N -1.096 118.844 119.950 -0.017 0.000 2.577 469 F HA 0.286 4.814 4.527 0.002 0.000 0.318 469 F C -0.279 175.536 175.800 0.026 0.000 1.065 469 F CA -1.306 56.701 58.000 0.012 0.000 0.929 469 F CB 1.369 40.400 39.000 0.052 0.000 1.237 469 F HN -0.050 nan 8.300 nan 0.000 0.468 470 H N 2.268 121.448 119.070 0.184 0.000 2.489 470 H HA 0.697 5.254 4.556 0.001 0.000 0.322 470 H C -1.531 173.887 175.328 0.150 0.000 1.091 470 H CA -0.430 55.689 56.048 0.118 0.000 1.291 470 H CB 0.832 30.641 29.762 0.078 0.000 1.436 470 H HN 0.557 nan 8.280 nan 0.000 0.480 471 L N 6.347 127.223 121.223 -0.579 0.000 2.322 471 L HA 0.453 4.794 4.340 0.001 0.000 0.281 471 L C -0.628 175.870 176.870 -0.620 0.000 1.014 471 L CA -0.798 53.753 54.840 -0.481 0.000 0.815 471 L CB 1.340 43.190 42.059 -0.348 0.000 1.247 471 L HN 0.920 nan 8.230 nan 0.000 0.421 472 H N 0.368 119.108 119.070 -0.549 0.000 2.981 472 H HA 0.593 5.150 4.556 0.001 0.000 0.327 472 H C -1.446 173.640 175.328 -0.404 0.000 1.342 472 H CA -0.969 54.778 56.048 -0.502 0.000 1.123 472 H CB 0.915 30.559 29.762 -0.196 0.000 1.851 472 H HN 0.169 nan 8.280 nan 0.000 0.531 473 F N 0.508 120.424 119.950 -0.057 0.000 2.380 473 F HA 0.406 4.934 4.527 0.002 0.000 0.325 473 F C -2.041 173.722 175.800 -0.062 0.000 1.136 473 F CA -2.609 55.329 58.000 -0.103 0.000 1.171 473 F CB 0.224 39.192 39.000 -0.052 0.000 1.230 473 F HN 0.403 nan 8.300 nan 0.000 0.554 474 P HA 0.082 nan 4.420 nan 0.000 0.271 474 P C -0.527 176.740 177.300 -0.054 0.000 1.216 474 P CA 0.231 63.252 63.100 -0.133 0.000 0.771 474 P CB 0.156 31.727 31.700 -0.215 0.000 0.864 475 H N 1.903 121.075 119.070 0.170 0.000 2.731 475 H HA -0.196 4.361 4.556 0.001 0.000 0.305 475 H C 0.356 175.758 175.328 0.124 0.000 1.132 475 H CA 1.091 57.213 56.048 0.124 0.000 1.148 475 H CB -2.015 27.795 29.762 0.080 0.000 1.379 475 H HN 0.609 nan 8.280 nan 0.000 0.398 476 E N -2.279 118.066 120.200 0.242 0.000 2.971 476 E HA -0.241 4.110 4.350 0.001 0.000 0.271 476 E C 0.791 177.489 176.600 0.164 0.000 1.053 476 E CA 0.831 57.370 56.400 0.232 0.000 0.817 476 E CB -1.595 28.204 29.700 0.165 0.000 1.410 476 E HN 0.622 nan 8.360 nan 0.000 0.445 477 L N 0.254 121.551 121.223 0.123 0.000 2.536 477 L HA -0.078 4.263 4.340 0.001 0.000 0.294 477 L C 0.994 177.756 176.870 -0.180 0.000 1.257 477 L CA 0.280 55.119 54.840 -0.002 0.000 0.850 477 L CB 0.207 42.270 42.059 0.007 0.000 1.105 477 L HN -0.155 nan 8.230 nan 0.000 0.517 478 V N 3.368 123.186 119.914 -0.161 0.000 2.387 478 V HA 0.161 4.282 4.120 0.001 0.000 0.260 478 V C -1.476 174.436 176.094 -0.303 0.000 1.054 478 V CA -1.148 61.023 62.300 -0.214 0.000 0.967 478 V CB -0.132 31.622 31.823 -0.114 0.000 1.036 478 V HN 0.640 nan 8.190 nan 0.000 0.481 479 P HA 0.377 nan 4.420 nan 0.000 0.284 479 P C -0.991 176.132 177.300 -0.296 0.000 1.258 479 P CA -0.526 62.279 63.100 -0.492 0.000 0.824 479 P CB 1.365 32.513 31.700 -0.920 0.000 1.038 480 D N 1.448 121.733 120.400 -0.192 0.000 2.295 480 D HA 0.118 4.759 4.640 0.001 0.000 0.248 480 D C 0.655 176.920 176.300 -0.058 0.000 1.154 480 D CA -0.206 53.734 54.000 -0.099 0.000 0.857 480 D CB 0.511 41.278 40.800 -0.054 0.000 1.117 480 D HN 0.236 nan 8.370 nan 0.000 0.468 481 L N 2.662 123.887 121.223 0.003 0.000 2.640 481 L HA 0.181 4.522 4.340 0.001 0.000 0.230 481 L C 0.674 177.697 176.870 0.256 0.000 1.123 481 L CA -0.101 54.829 54.840 0.151 0.000 0.900 481 L CB -0.071 42.036 42.059 0.080 0.000 1.146 481 L HN 0.123 nan 8.230 nan 0.000 0.484 482 K N 2.723 123.213 120.400 0.150 0.000 2.383 482 K HA 0.174 4.494 4.320 0.001 0.000 0.286 482 K C -2.142 174.585 176.600 0.212 0.000 1.051 482 K CA -1.556 54.814 56.287 0.139 0.000 0.974 482 K CB 0.278 32.816 32.500 0.064 0.000 0.968 482 K HN -0.108 nan 8.250 nan 0.000 0.475 483 P HA 0.048 nan 4.420 nan 0.000 0.272 483 P C -0.595 176.802 177.300 0.161 0.000 1.230 483 P CA -0.207 63.089 63.100 0.327 0.000 0.788 483 P CB 0.675 32.578 31.700 0.339 0.000 0.949 484 R N 0.593 121.171 120.500 0.130 0.000 2.594 484 R HA 0.231 4.572 4.340 0.001 0.000 0.272 484 R C 0.172 176.517 176.300 0.075 0.000 1.074 484 R CA -0.864 55.278 56.100 0.071 0.000 1.105 484 R CB -0.023 30.300 30.300 0.040 0.000 1.008 484 R HN 0.394 nan 8.270 nan 0.000 0.472 485 L N 1.953 123.205 121.223 0.047 0.000 2.477 485 L HA 0.284 4.625 4.340 0.001 0.000 0.272 485 L C 0.182 177.083 176.870 0.052 0.000 1.157 485 L CA 1.203 56.072 54.840 0.047 0.000 0.889 485 L CB 0.461 42.532 42.059 0.019 0.000 1.158 485 L HN 0.775 nan 8.230 nan 0.000 0.473 486 G N 4.243 113.083 108.800 0.066 0.000 2.550 486 G HA2 0.257 4.217 3.960 0.001 0.000 0.293 486 G HA3 0.257 4.217 3.960 0.001 0.000 0.293 486 G C 0.054 174.992 174.900 0.064 0.000 1.402 486 G CA -0.569 44.566 45.100 0.057 0.000 0.784 486 G HN 0.340 nan 8.290 nan 0.000 0.482 487 M N 0.588 120.213 119.600 0.042 0.000 2.394 487 M HA 0.092 4.573 4.480 0.001 0.000 0.264 487 M C 1.389 177.696 176.300 0.012 0.000 1.073 487 M CA 1.175 56.489 55.300 0.023 0.000 1.111 487 M CB -0.945 31.642 32.600 -0.023 0.000 1.401 487 M HN 0.716 nan 8.290 nan 0.000 0.448 488 T N -1.216 113.347 114.554 0.014 0.000 2.912 488 T HA 0.661 5.012 4.350 0.001 0.000 0.288 488 T C -0.254 174.481 174.700 0.059 0.000 1.030 488 T CA -0.874 61.239 62.100 0.022 0.000 1.020 488 T CB 2.112 70.989 68.868 0.015 0.000 1.056 488 T HN 0.099 nan 8.240 nan 0.000 0.480 489 L N 2.789 124.070 121.223 0.096 0.000 2.264 489 L HA 0.486 4.827 4.340 0.001 0.000 0.289 489 L C 0.354 177.460 176.870 0.394 0.000 1.044 489 L CA -0.691 54.274 54.840 0.209 0.000 0.807 489 L CB 1.086 43.233 42.059 0.146 0.000 1.192 489 L HN 0.822 nan 8.230 nan 0.000 0.425 490 Q N 4.695 124.652 119.800 0.261 0.000 2.413 490 Q HA 0.652 4.993 4.340 0.001 0.000 0.276 490 Q C -2.844 173.052 176.000 -0.173 0.000 1.099 490 Q CA -2.201 53.608 55.803 0.009 0.000 0.814 490 Q CB 2.718 31.416 28.738 -0.066 0.000 1.379 490 Q HN 0.210 nan 8.270 nan 0.000 0.436 491 P HA 0.025 nan 4.420 nan 0.000 0.274 491 P C -0.661 176.516 177.300 -0.204 0.000 1.246 491 P CA -0.203 62.515 63.100 -0.637 0.000 0.795 491 P CB 0.564 31.721 31.700 -0.904 0.000 1.006 492 Q N 0.840 120.588 119.800 -0.087 0.000 2.454 492 Q HA 0.177 4.518 4.340 0.001 0.000 0.247 492 Q C -1.956 174.042 176.000 -0.002 0.000 1.028 492 Q CA -1.302 54.479 55.803 -0.035 0.000 0.910 492 Q CB -1.028 27.700 28.738 -0.015 0.000 1.276 492 Q HN 0.338 nan 8.270 nan 0.000 0.489 493 P HA -0.053 nan 4.420 nan 0.000 0.262 493 P C -1.233 176.067 177.300 0.000 0.000 1.182 493 P CA 0.674 63.733 63.100 -0.069 0.000 0.761 493 P CB -0.107 31.549 31.700 -0.073 0.000 0.795 494 Y N 1.074 121.298 120.300 -0.127 0.000 2.504 494 Y HA 0.632 5.183 4.550 0.001 0.000 0.344 494 Y C -1.366 174.470 175.900 -0.107 0.000 1.023 494 Y CA -1.633 56.396 58.100 -0.118 0.000 1.020 494 Y CB 0.891 39.276 38.460 -0.126 0.000 1.282 494 Y HN 0.056 nan 8.280 nan 0.000 0.454 495 L N 4.701 125.927 121.223 0.005 0.000 2.375 495 L HA 0.589 4.930 4.340 0.001 0.000 0.271 495 L C -0.332 176.553 176.870 0.024 0.000 1.107 495 L CA -0.681 54.115 54.840 -0.073 0.000 0.806 495 L CB 1.323 43.363 42.059 -0.030 0.000 1.146 495 L HN 0.708 nan 8.230 nan 0.000 0.447 496 I N 0.673 121.137 120.570 -0.176 0.000 2.686 496 I HA 0.290 4.461 4.170 0.001 0.000 0.295 496 I C -1.015 174.964 176.117 -0.231 0.000 1.114 496 I CA -0.481 60.677 61.300 -0.236 0.000 1.038 496 I CB 2.712 40.440 38.000 -0.453 0.000 1.238 496 I HN 0.598 nan 8.210 nan 0.000 0.420 497 C N 5.007 124.099 119.300 -0.348 0.000 2.273 497 C HA 0.722 5.183 4.460 0.001 0.000 0.328 497 C C 0.602 175.478 174.990 -0.189 0.000 1.275 497 C CA -0.550 58.304 59.018 -0.273 0.000 1.704 497 C CB 0.200 27.620 27.740 -0.533 0.000 2.326 497 C HN 0.731 nan 8.230 nan 0.000 0.517 498 A N 3.673 126.502 122.820 0.015 0.000 2.258 498 A HA 0.647 4.968 4.320 0.001 0.000 0.316 498 A C -0.401 177.323 177.584 0.232 0.000 1.279 498 A CA -0.312 51.745 52.037 0.033 0.000 0.876 498 A CB 0.350 19.205 19.000 -0.241 0.000 1.170 498 A HN 0.890 nan 8.150 nan 0.000 0.520 499 E N 1.317 121.736 120.200 0.365 0.000 2.158 499 E HA 0.538 4.889 4.350 0.001 0.000 0.271 499 E C 0.598 177.415 176.600 0.361 0.000 0.911 499 E CA -0.644 55.978 56.400 0.369 0.000 0.767 499 E CB 1.291 31.185 29.700 0.323 0.000 1.120 499 E HN 0.819 nan 8.360 nan 0.000 0.405 500 R N 2.246 122.891 120.500 0.243 0.000 2.638 500 R HA 0.032 4.373 4.340 0.001 0.000 0.268 500 R C 0.456 176.712 176.300 -0.074 0.000 1.006 500 R CA 0.841 56.913 56.100 -0.047 0.000 1.088 500 R CB -0.296 29.964 30.300 -0.066 0.000 0.950 500 R HN 0.689 nan 8.270 nan 0.000 0.419 501 R N 0.109 120.462 120.500 -0.245 0.000 2.062 501 R HA 0.090 4.430 4.340 0.001 0.000 0.218 501 R C 0.450 176.586 176.300 -0.273 0.000 1.161 501 R CA 0.939 56.853 56.100 -0.311 0.000 0.994 501 R CB 0.031 29.981 30.300 -0.584 0.000 0.888 501 R HN 0.904 nan 8.270 nan 0.000 0.442 502 H N 0.000 119.037 119.070 -0.055 0.000 2.539 502 H HA 0.000 4.557 4.556 0.001 0.000 0.296 502 H CA 0.000 56.021 56.048 -0.045 0.000 1.023 502 H CB 0.000 29.730 29.762 -0.053 0.000 1.292 502 H HN 0.000 nan 8.280 nan 0.000 0.496