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 2vf1_1_A DATA FIRST_RESID 66 DATA SEQUENCE DWSWYAPSEL VAKQIANVPF NVLAGTPIKA SVHLRYDPSL VSGLKDQLFV DATA SEQUENCE GNNASIMGAR LLYLPSFGIS TTVLDGLSMA ANQLYAYVRK SNSGAKVYEA DATA SEQUENCE PDLMMTVLAI QEAYRVLFEI RRAITFANYW NFWNKYLPKQ VFEQLLAIDF DATA SEQUENCE DDLMSNKANY CAQFNLMAQK INTFALPKYF KSILRMAYVS SNIFMDSDAV DATA SEQUENCE TGQMYAFVSS GYYRYSATTS ESGTSLVYRD WPVGAAMPRK LNRLFTVLRE DATA SEQUENCE LLDAIYGDAD AQTMFGDIYK AFGSDGLYSI AEISVDETST PVFDVDILAQ DATA SEQUENCE IENCTILEAN AGLAWTLDSC NVTQSKGQVL LWQPTGTITS SDNTEHIAGD DATA SEQUENCE IAVALGDRVL NSHIMEPQYS DVLEWTRLMA TIEFDKASVT SSEKVTFKVT DATA SEQUENCE SCGAELIRNV LYFKNVWNDA AEDASQRVIT YFSHFSQITV TNATDDPTSA DATA SEQUENCE YGLMSNTLDF TQLDWHPIIY VTETSVHNVA NLNSILIGGD LKRPTVITTD DATA SEQUENCE VVKRINSAAN YALYYSANLL SNIST 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 66 D HA 0.000 nan 4.640 nan 0.000 0.175 66 D C 0.000 175.797 176.300 -0.839 0.000 2.045 66 D CA 0.000 53.300 54.000 -1.167 0.000 0.868 66 D CB 0.000 39.839 40.800 -1.602 0.000 0.688 67 W N 2.785 123.915 121.300 -0.284 0.000 2.467 67 W HA -0.034 4.626 4.660 -0.000 0.000 0.275 67 W C 1.281 177.825 176.519 0.041 0.000 1.239 67 W CA 0.885 58.246 57.345 0.027 0.000 1.266 67 W CB -1.081 28.386 29.460 0.012 0.000 1.112 67 W HN 0.403 nan 8.180 nan 0.000 0.576 68 S N 1.074 116.164 115.700 -1.016 0.000 2.423 68 S HA -0.228 4.242 4.470 -0.000 0.000 0.238 68 S C 1.536 176.019 174.600 -0.194 0.000 1.028 68 S CA 1.918 59.605 58.200 -0.855 0.000 1.000 68 S CB -0.746 61.886 63.200 -0.947 0.000 0.797 68 S HN 0.380 nan 8.310 nan 0.000 0.487 69 W N 0.799 121.917 121.300 -0.303 0.000 2.374 69 W HA 0.060 4.720 4.660 0.000 0.000 0.288 69 W C 0.556 176.792 176.519 -0.471 0.000 1.218 69 W CA 0.167 57.225 57.345 -0.478 0.000 1.245 69 W CB -1.301 27.679 29.460 -0.800 0.000 1.126 69 W HN 0.436 nan 8.180 nan 0.000 0.545 70 Y N 0.131 120.600 120.300 0.282 0.000 2.883 70 Y HA 0.613 5.163 4.550 -0.000 0.000 0.385 70 Y C 0.500 176.515 175.900 0.191 0.000 1.067 70 Y CA -0.522 57.707 58.100 0.215 0.000 1.682 70 Y CB -0.591 37.991 38.460 0.203 0.000 1.606 70 Y HN -0.125 nan 8.280 nan 0.000 0.508 71 A N 0.318 123.288 122.820 0.251 0.000 2.592 71 A HA 0.398 4.718 4.320 -0.000 0.000 0.300 71 A C -2.257 175.417 177.584 0.149 0.000 0.994 71 A CA -1.126 51.038 52.037 0.210 0.000 0.707 71 A CB 0.509 19.673 19.000 0.275 0.000 1.273 71 A HN 0.089 nan 8.150 nan 0.000 0.413 72 P HA 0.040 nan 4.420 nan 0.000 0.211 72 P C 0.795 178.147 177.300 0.086 0.000 1.191 72 P CA 1.722 64.870 63.100 0.080 0.000 0.909 72 P CB -0.015 31.724 31.700 0.065 0.000 0.770 73 S N -1.538 114.223 115.700 0.102 0.000 2.638 73 S HA 0.245 4.715 4.470 -0.000 0.000 0.298 73 S C 1.189 175.890 174.600 0.169 0.000 1.111 73 S CA -0.670 57.595 58.200 0.108 0.000 1.027 73 S CB 2.440 65.688 63.200 0.079 0.000 1.064 73 S HN 0.159 nan 8.310 nan 0.000 0.525 74 E N 0.596 120.913 120.200 0.195 0.000 2.023 74 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 74 E C 1.886 178.570 176.600 0.141 0.000 1.003 74 E CA 1.431 57.992 56.400 0.268 0.000 0.809 74 E CB -0.317 29.532 29.700 0.249 0.000 0.755 74 E HN 0.727 nan 8.360 nan 0.000 0.449 75 L N 0.625 121.904 121.223 0.094 0.000 2.064 75 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 75 L C 2.367 179.268 176.870 0.051 0.000 1.077 75 L CA 1.534 56.407 54.840 0.056 0.000 0.766 75 L CB -0.190 41.897 42.059 0.048 0.000 0.890 75 L HN 0.133 nan 8.230 nan 0.000 0.435 76 V N -0.296 119.661 119.914 0.072 0.000 2.515 76 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 76 V C 2.693 178.829 176.094 0.070 0.000 1.058 76 V CA 1.503 63.844 62.300 0.067 0.000 1.064 76 V CB -0.890 30.979 31.823 0.078 0.000 0.675 76 V HN 0.616 nan 8.190 nan 0.000 0.461 77 A N -0.033 122.844 122.820 0.095 0.000 1.873 77 A HA -0.230 4.090 4.320 -0.000 0.000 0.215 77 A C 2.267 179.848 177.584 -0.005 0.000 1.186 77 A CA 1.876 53.961 52.037 0.079 0.000 0.616 77 A CB -0.534 18.551 19.000 0.142 0.000 0.823 77 A HN 0.470 nan 8.150 nan 0.000 0.442 78 K N -1.144 119.232 120.400 -0.040 0.000 2.444 78 K HA -0.214 4.106 4.320 -0.000 0.000 0.200 78 K C 1.689 178.272 176.600 -0.029 0.000 1.045 78 K CA 1.487 57.735 56.287 -0.066 0.000 0.934 78 K CB 0.009 32.477 32.500 -0.053 0.000 0.756 78 K HN 0.398 nan 8.250 nan 0.000 0.477 79 Q N -0.467 119.331 119.800 -0.003 0.000 2.378 79 Q HA 0.082 4.422 4.340 -0.000 0.000 0.229 79 Q C 1.809 177.816 176.000 0.012 0.000 0.882 79 Q CA 0.523 56.330 55.803 0.007 0.000 0.936 79 Q CB 0.543 29.291 28.738 0.016 0.000 1.092 79 Q HN 0.534 nan 8.270 nan 0.000 0.535 80 I N -3.577 117.004 120.570 0.019 0.000 3.427 80 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 80 I C 1.500 177.625 176.117 0.013 0.000 1.249 80 I CA 0.756 62.069 61.300 0.023 0.000 1.421 80 I CB -0.004 38.022 38.000 0.043 0.000 1.086 80 I HN -0.122 nan 8.210 nan 0.000 0.448 81 A N 0.672 123.493 122.820 0.002 0.000 2.343 81 A HA 0.222 4.542 4.320 -0.000 0.000 0.223 81 A C 0.610 178.196 177.584 0.002 0.000 1.214 81 A CA -0.245 51.789 52.037 -0.005 0.000 0.900 81 A CB -0.309 18.679 19.000 -0.020 0.000 0.942 81 A HN 0.339 nan 8.150 nan 0.000 0.507 82 N N 1.303 120.005 118.700 0.003 0.000 2.355 82 N HA 0.066 4.806 4.740 -0.000 0.000 0.282 82 N C -0.862 174.666 175.510 0.030 0.000 1.374 82 N CA 0.807 53.869 53.050 0.019 0.000 0.929 82 N CB 0.266 38.762 38.487 0.015 0.000 1.278 82 N HN 0.122 nan 8.380 nan 0.000 0.491 83 V N 4.944 124.895 119.914 0.060 0.000 2.604 83 V HA 0.444 4.564 4.120 -0.000 0.000 0.305 83 V C -1.774 174.366 176.094 0.078 0.000 1.043 83 V CA -1.406 60.904 62.300 0.018 0.000 0.888 83 V CB 2.169 33.957 31.823 -0.057 0.000 0.995 83 V HN 0.493 nan 8.190 nan 0.000 0.429 84 P HA 0.394 nan 4.420 nan 0.000 0.284 84 P C -0.816 176.476 177.300 -0.014 0.000 1.253 84 P CA -0.215 62.943 63.100 0.097 0.000 0.800 84 P CB 0.977 32.715 31.700 0.063 0.000 0.961 85 F N 1.522 121.488 119.950 0.026 0.000 2.850 85 F HA 0.110 4.637 4.527 0.000 0.000 0.306 85 F C 1.482 177.326 175.800 0.072 0.000 1.162 85 F CA -0.485 57.498 58.000 -0.028 0.000 1.327 85 F CB -0.575 38.331 39.000 -0.156 0.000 0.953 85 F HN 0.246 nan 8.300 nan 0.000 0.507 86 N N -0.435 118.419 118.700 0.258 0.000 2.627 86 N HA -0.095 4.645 4.740 -0.000 0.000 0.196 86 N C 0.381 176.004 175.510 0.190 0.000 1.268 86 N CA 0.278 53.520 53.050 0.320 0.000 0.904 86 N CB -0.274 38.338 38.487 0.209 0.000 1.016 86 N HN 0.178 nan 8.380 nan 0.000 0.448 87 V N 2.154 122.132 119.914 0.106 0.000 2.276 87 V HA 0.210 4.330 4.120 -0.000 0.000 0.249 87 V C 0.146 176.280 176.094 0.067 0.000 1.160 87 V CA -0.765 61.548 62.300 0.023 0.000 1.042 87 V CB -0.885 30.909 31.823 -0.047 0.000 1.224 87 V HN 0.226 nan 8.190 nan 0.000 0.496 88 L N 5.212 126.481 121.223 0.076 0.000 2.498 88 L HA 0.040 4.380 4.340 -0.000 0.000 0.293 88 L C 2.089 178.995 176.870 0.060 0.000 1.271 88 L CA 0.749 55.642 54.840 0.087 0.000 0.831 88 L CB -0.183 41.849 42.059 -0.045 0.000 1.091 88 L HN 0.676 nan 8.230 nan 0.000 0.535 89 A N 2.207 125.094 122.820 0.111 0.000 1.885 89 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 89 A C 2.001 179.663 177.584 0.130 0.000 1.255 89 A CA 2.109 54.252 52.037 0.178 0.000 0.692 89 A CB -1.641 17.523 19.000 0.274 0.000 0.842 89 A HN 0.996 nan 8.150 nan 0.000 0.465 90 G N -0.854 107.884 108.800 -0.102 0.000 2.625 90 G HA2 0.176 4.136 3.960 -0.000 0.000 0.214 90 G HA3 0.176 4.136 3.960 -0.000 0.000 0.214 90 G C 0.914 175.763 174.900 -0.084 0.000 1.132 90 G CA 1.331 46.161 45.100 -0.450 0.000 0.782 90 G HN 0.921 nan 8.290 nan 0.000 0.538 91 T N -0.596 113.863 114.554 -0.158 0.000 2.766 91 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 91 T C -2.384 171.977 174.700 -0.565 0.000 1.024 91 T CA -1.483 60.307 62.100 -0.517 0.000 1.018 91 T CB 1.854 70.453 68.868 -0.448 0.000 1.002 91 T HN -0.015 nan 8.240 nan 0.000 0.532 92 P HA 0.366 nan 4.420 nan 0.000 0.282 92 P C -0.522 176.615 177.300 -0.271 0.000 1.249 92 P CA -0.654 62.144 63.100 -0.503 0.000 0.806 92 P CB 0.633 31.994 31.700 -0.565 0.000 0.984 93 I N 3.214 123.705 120.570 -0.131 0.000 2.206 93 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 93 I C 1.087 177.163 176.117 -0.069 0.000 1.156 93 I CA -0.228 61.021 61.300 -0.086 0.000 1.356 93 I CB -0.443 37.534 38.000 -0.038 0.000 1.494 93 I HN 0.115 nan 8.210 nan 0.000 0.601 94 K N 4.622 124.968 120.400 -0.091 0.000 2.620 94 K HA 0.175 4.495 4.320 -0.000 0.000 0.234 94 K C 0.510 177.091 176.600 -0.032 0.000 1.194 94 K CA -0.225 56.027 56.287 -0.059 0.000 1.186 94 K CB -0.200 32.256 32.500 -0.073 0.000 1.270 94 K HN 0.598 nan 8.250 nan 0.000 0.235 95 A N 1.448 124.259 122.820 -0.015 0.000 2.327 95 A HA 0.354 4.674 4.320 -0.000 0.000 0.283 95 A C 0.196 177.799 177.584 0.032 0.000 1.127 95 A CA -0.586 51.448 52.037 -0.005 0.000 0.810 95 A CB 0.672 19.666 19.000 -0.010 0.000 1.066 95 A HN 0.424 nan 8.150 nan 0.000 0.492 96 S N 0.579 116.302 115.700 0.037 0.000 2.532 96 S HA 0.735 5.205 4.470 -0.000 0.000 0.301 96 S C -0.772 173.877 174.600 0.082 0.000 1.083 96 S CA -0.634 57.622 58.200 0.093 0.000 1.025 96 S CB 1.500 64.779 63.200 0.132 0.000 1.056 96 S HN 1.015 nan 8.310 nan 0.000 0.494 97 V N 2.660 122.663 119.914 0.147 0.000 2.443 97 V HA 0.432 4.552 4.120 -0.000 0.000 0.293 97 V C -0.271 175.942 176.094 0.199 0.000 1.021 97 V CA -0.716 61.639 62.300 0.091 0.000 0.848 97 V CB 0.492 32.332 31.823 0.029 0.000 0.998 97 V HN 1.001 nan 8.190 nan 0.000 0.424 98 H N 4.434 123.503 119.070 -0.001 0.000 2.629 98 H HA 0.663 5.219 4.556 -0.000 0.000 0.357 98 H C -0.673 174.625 175.328 -0.050 0.000 1.121 98 H CA -0.513 55.528 56.048 -0.012 0.000 1.406 98 H CB 1.504 31.253 29.762 -0.023 0.000 1.456 98 H HN 0.431 nan 8.280 nan 0.000 0.579 99 L N 2.277 123.520 121.223 0.034 0.000 2.350 99 L HA 0.561 4.901 4.340 -0.000 0.000 0.260 99 L C -0.369 176.378 176.870 -0.205 0.000 1.015 99 L CA -1.046 53.739 54.840 -0.091 0.000 0.821 99 L CB 1.965 43.944 42.059 -0.133 0.000 1.370 99 L HN 0.518 nan 8.230 nan 0.000 0.416 100 R N 2.138 122.509 120.500 -0.216 0.000 2.512 100 R HA 0.488 4.828 4.340 -0.000 0.000 0.291 100 R C -1.668 174.555 176.300 -0.129 0.000 1.097 100 R CA -0.595 55.364 56.100 -0.234 0.000 0.940 100 R CB 1.923 32.166 30.300 -0.095 0.000 1.198 100 R HN 0.580 nan 8.270 nan 0.000 0.429 101 Y N -1.558 118.747 120.300 0.008 0.000 2.896 101 Y HA 0.562 5.112 4.550 -0.000 0.000 0.317 101 Y C -0.920 174.985 175.900 0.008 0.000 1.444 101 Y CA -1.801 56.302 58.100 0.005 0.000 1.084 101 Y CB 0.767 39.229 38.460 0.003 0.000 1.382 101 Y HN 0.215 nan 8.280 nan 0.000 0.471 102 D N 2.856 123.476 120.400 0.368 0.000 2.472 102 D HA 0.340 4.980 4.640 -0.000 0.000 0.234 102 D C -1.785 174.603 176.300 0.147 0.000 1.088 102 D CA -2.534 51.592 54.000 0.211 0.000 0.882 102 D CB 1.331 42.189 40.800 0.097 0.000 1.037 102 D HN 0.338 nan 8.370 nan 0.000 0.520 103 P HA -0.257 nan 4.420 nan 0.000 0.219 103 P C 1.075 178.366 177.300 -0.014 0.000 1.151 103 P CA 1.193 64.342 63.100 0.083 0.000 0.850 103 P CB 0.081 31.874 31.700 0.154 0.000 0.784 104 S N -1.812 113.894 115.700 0.010 0.000 2.561 104 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 104 S C 1.721 176.305 174.600 -0.027 0.000 0.977 104 S CA 0.240 58.436 58.200 -0.007 0.000 0.926 104 S CB -0.907 62.298 63.200 0.008 0.000 0.769 104 S HN 0.152 nan 8.310 nan 0.000 0.533 105 L N 1.107 122.303 121.223 -0.045 0.000 2.858 105 L HA 0.423 4.763 4.340 -0.000 0.000 0.251 105 L C -0.793 176.016 176.870 -0.101 0.000 1.149 105 L CA -0.070 54.738 54.840 -0.054 0.000 0.955 105 L CB 1.217 43.259 42.059 -0.028 0.000 1.289 105 L HN 0.151 nan 8.230 nan 0.000 0.542 106 V N -0.227 119.585 119.914 -0.170 0.000 2.378 106 V HA 0.154 4.274 4.120 -0.000 0.000 0.288 106 V C 1.135 177.128 176.094 -0.170 0.000 1.016 106 V CA -0.058 62.099 62.300 -0.238 0.000 0.840 106 V CB 1.500 33.002 31.823 -0.534 0.000 0.994 106 V HN 0.424 nan 8.190 nan 0.000 0.431 107 S N 4.884 120.518 115.700 -0.110 0.000 2.380 107 S HA -0.251 4.219 4.470 -0.000 0.000 0.290 107 S C 1.506 176.069 174.600 -0.060 0.000 1.080 107 S CA 2.128 60.287 58.200 -0.068 0.000 1.468 107 S CB -0.698 62.473 63.200 -0.048 0.000 1.303 107 S HN 1.258 nan 8.310 nan 0.000 0.457 108 G N 0.328 109.097 108.800 -0.053 0.000 3.314 108 G HA2 0.450 4.410 3.960 -0.000 0.000 0.230 108 G HA3 0.450 4.410 3.960 -0.000 0.000 0.230 108 G C 0.146 175.045 174.900 -0.002 0.000 1.058 108 G CA -0.366 44.718 45.100 -0.026 0.000 0.926 108 G HN 0.498 nan 8.290 nan 0.000 0.564 109 L N 1.433 122.654 121.223 -0.004 0.000 2.640 109 L HA 0.083 4.423 4.340 -0.000 0.000 0.280 109 L C 1.317 178.269 176.870 0.137 0.000 1.229 109 L CA 0.246 55.144 54.840 0.096 0.000 0.919 109 L CB 0.397 42.532 42.059 0.127 0.000 1.168 109 L HN 0.079 nan 8.230 nan 0.000 0.496 110 K N 1.476 121.967 120.400 0.151 0.000 2.102 110 K HA 0.038 4.358 4.320 -0.000 0.000 0.208 110 K C 0.546 177.257 176.600 0.185 0.000 1.027 110 K CA 0.115 56.484 56.287 0.137 0.000 0.958 110 K CB 0.069 32.604 32.500 0.058 0.000 0.819 110 K HN 0.607 nan 8.250 nan 0.000 0.453 111 D N 0.799 121.277 120.400 0.131 0.000 2.380 111 D HA 0.025 4.665 4.640 -0.000 0.000 0.254 111 D C 0.175 176.575 176.300 0.166 0.000 1.288 111 D CA 0.412 54.472 54.000 0.100 0.000 1.008 111 D CB 0.903 41.711 40.800 0.014 0.000 1.099 111 D HN 0.020 nan 8.370 nan 0.000 0.537 112 Q N -0.408 119.419 119.800 0.046 0.000 2.135 112 Q HA 0.272 4.612 4.340 -0.000 0.000 0.231 112 Q C -0.894 175.129 176.000 0.039 0.000 0.817 112 Q CA -0.323 55.449 55.803 -0.052 0.000 1.073 112 Q CB 0.984 29.585 28.738 -0.228 0.000 1.176 112 Q HN 0.122 nan 8.270 nan 0.000 0.478 113 L N -0.067 121.248 121.223 0.153 0.000 2.470 113 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 113 L C -1.905 175.147 176.870 0.303 0.000 0.964 113 L CA -0.545 54.395 54.840 0.166 0.000 0.839 113 L CB 1.369 43.423 42.059 -0.007 0.000 1.276 113 L HN -0.131 nan 8.230 nan 0.000 0.403 114 F N 4.998 124.972 119.950 0.039 0.000 2.403 114 F HA 0.575 5.102 4.527 -0.000 0.000 0.355 114 F C -0.101 175.720 175.800 0.035 0.000 1.119 114 F CA -0.695 57.327 58.000 0.037 0.000 1.007 114 F CB 1.872 40.898 39.000 0.042 0.000 1.194 114 F HN 0.147 nan 8.300 nan 0.000 0.443 115 V N 3.535 123.491 119.914 0.071 0.000 2.439 115 V HA 0.582 4.702 4.120 -0.000 0.000 0.282 115 V C 0.778 176.898 176.094 0.044 0.000 1.039 115 V CA -0.843 61.488 62.300 0.050 0.000 0.913 115 V CB 1.217 33.042 31.823 0.003 0.000 0.983 115 V HN 0.831 nan 8.190 nan 0.000 0.460 116 G N 2.755 111.586 108.800 0.051 0.000 2.636 116 G HA2 0.345 4.305 3.960 -0.000 0.000 0.246 116 G HA3 0.345 4.305 3.960 -0.000 0.000 0.246 116 G C 0.328 175.242 174.900 0.022 0.000 1.216 116 G CA 0.036 45.165 45.100 0.049 0.000 0.854 116 G HN 0.942 nan 8.290 nan 0.000 0.572 117 N N -1.081 117.646 118.700 0.045 0.000 2.228 117 N HA -0.038 4.702 4.740 -0.000 0.000 0.237 117 N C -0.966 174.619 175.510 0.125 0.000 1.382 117 N CA -0.503 52.585 53.050 0.064 0.000 0.787 117 N CB -0.172 38.373 38.487 0.097 0.000 1.320 117 N HN 0.353 nan 8.380 nan 0.000 0.507 118 N N 0.787 119.547 118.700 0.100 0.000 2.362 118 N HA 0.547 5.287 4.740 -0.000 0.000 0.298 118 N C -0.573 175.009 175.510 0.118 0.000 1.048 118 N CA -0.316 52.825 53.050 0.150 0.000 0.858 118 N CB 2.478 41.050 38.487 0.142 0.000 1.218 118 N HN 0.339 nan 8.380 nan 0.000 0.488 119 A N 1.191 124.123 122.820 0.186 0.000 2.257 119 A HA 0.449 4.769 4.320 -0.000 0.000 0.289 119 A C 0.506 178.214 177.584 0.207 0.000 1.095 119 A CA -0.544 51.591 52.037 0.163 0.000 0.836 119 A CB 0.125 19.259 19.000 0.223 0.000 1.111 119 A HN 0.679 nan 8.150 nan 0.000 0.497 120 S N 0.182 115.996 115.700 0.190 0.000 2.560 120 S HA 0.335 4.805 4.470 -0.000 0.000 0.284 120 S C 0.169 174.876 174.600 0.179 0.000 1.327 120 S CA -0.390 57.897 58.200 0.145 0.000 1.055 120 S CB -0.233 63.030 63.200 0.105 0.000 0.868 120 S HN 0.456 nan 8.310 nan 0.000 0.506 121 I N 3.211 123.836 120.570 0.092 0.000 2.845 121 I HA -0.115 4.055 4.170 -0.000 0.000 0.296 121 I C 1.689 177.716 176.117 -0.151 0.000 1.216 121 I CA 0.069 61.400 61.300 0.052 0.000 1.438 121 I CB 0.325 38.343 38.000 0.031 0.000 1.342 121 I HN 0.888 nan 8.210 nan 0.000 0.577 122 M N 5.437 124.813 119.600 -0.373 0.000 2.077 122 M HA 0.082 4.562 4.480 -0.000 0.000 0.261 122 M C 0.843 176.911 176.300 -0.387 0.000 1.070 122 M CA 2.120 56.932 55.300 -0.813 0.000 1.125 122 M CB 0.151 32.117 32.600 -1.057 0.000 1.339 122 M HN 0.791 nan 8.290 nan 0.000 0.409 123 G N -0.609 108.076 108.800 -0.191 0.000 2.336 123 G HA2 0.514 4.474 3.960 -0.000 0.000 0.286 123 G HA3 0.514 4.474 3.960 -0.000 0.000 0.286 123 G C -2.183 172.702 174.900 -0.026 0.000 1.269 123 G CA -0.357 44.618 45.100 -0.209 0.000 0.873 123 G HN 0.646 nan 8.290 nan 0.000 0.494 124 A N -0.436 122.328 122.820 -0.094 0.000 2.449 124 A HA 0.874 5.194 4.320 -0.000 0.000 0.302 124 A C -0.396 177.252 177.584 0.105 0.000 1.048 124 A CA -0.509 51.581 52.037 0.089 0.000 0.708 124 A CB 1.828 20.849 19.000 0.036 0.000 1.274 124 A HN 0.858 nan 8.150 nan 0.000 0.410 125 R N 2.325 122.945 120.500 0.199 0.000 2.229 125 R HA 0.529 4.869 4.340 -0.000 0.000 0.332 125 R C -1.332 174.978 176.300 0.017 0.000 0.989 125 R CA -0.446 55.723 56.100 0.115 0.000 0.842 125 R CB 0.411 30.855 30.300 0.241 0.000 1.119 125 R HN 0.698 nan 8.270 nan 0.000 0.456 126 L N 6.542 127.724 121.223 -0.069 0.000 2.315 126 L HA 0.232 4.572 4.340 -0.000 0.000 0.278 126 L C -0.413 176.517 176.870 0.100 0.000 1.088 126 L CA -0.813 53.977 54.840 -0.084 0.000 0.899 126 L CB 0.774 42.598 42.059 -0.392 0.000 1.277 126 L HN 0.440 nan 8.230 nan 0.000 0.431 127 L N 5.819 127.094 121.223 0.086 0.000 2.385 127 L HA 0.203 4.543 4.340 -0.000 0.000 0.281 127 L C -0.264 176.703 176.870 0.160 0.000 1.106 127 L CA 0.109 55.015 54.840 0.109 0.000 0.856 127 L CB -0.209 41.878 42.059 0.047 0.000 1.186 127 L HN 0.339 nan 8.230 nan 0.000 0.453 128 Y N 4.069 124.429 120.300 0.101 0.000 2.549 128 Y HA 0.713 5.263 4.550 -0.000 0.000 0.339 128 Y C -1.211 174.733 175.900 0.074 0.000 1.053 128 Y CA -1.893 56.261 58.100 0.090 0.000 1.105 128 Y CB 1.164 39.704 38.460 0.132 0.000 1.258 128 Y HN 0.459 nan 8.280 nan 0.000 0.478 129 L N 4.878 126.172 121.223 0.118 0.000 2.280 129 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 129 L C -2.871 174.079 176.870 0.133 0.000 1.023 129 L CA -2.828 52.000 54.840 -0.019 0.000 0.819 129 L CB 1.024 43.089 42.059 0.011 0.000 1.212 129 L HN 0.482 nan 8.230 nan 0.000 0.420 130 P HA 0.066 nan 4.420 nan 0.000 0.262 130 P C -1.081 176.056 177.300 -0.272 0.000 1.182 130 P CA 0.385 63.528 63.100 0.071 0.000 0.761 130 P CB 0.653 32.403 31.700 0.082 0.000 0.795 131 S N 2.292 117.740 115.700 -0.422 0.000 2.542 131 S HA 0.580 5.050 4.470 -0.000 0.000 0.293 131 S C -0.167 173.885 174.600 -0.914 0.000 1.089 131 S CA -0.578 57.219 58.200 -0.672 0.000 0.961 131 S CB 0.416 63.574 63.200 -0.070 0.000 1.062 131 S HN 0.214 nan 8.310 nan 0.000 0.483 132 F N 1.973 121.506 119.950 -0.694 0.000 2.678 132 F HA 0.498 5.025 4.527 0.000 0.000 0.305 132 F C 1.331 176.912 175.800 -0.366 0.000 1.090 132 F CA 0.066 57.722 58.000 -0.573 0.000 1.272 132 F CB 0.339 38.818 39.000 -0.867 0.000 1.060 132 F HN 0.872 nan 8.300 nan 0.000 0.576 133 G N 2.100 110.852 108.800 -0.080 0.000 3.439 133 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.684 133 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.684 133 G C -0.325 174.714 174.900 0.233 0.000 1.005 133 G CA -1.293 43.870 45.100 0.104 0.000 0.837 133 G HN 0.037 nan 8.290 nan 0.000 0.470 134 I N 1.287 122.080 120.570 0.371 0.000 3.352 134 I HA -0.122 4.048 4.170 -0.000 0.000 0.344 134 I C 0.968 177.240 176.117 0.258 0.000 1.229 134 I CA 1.099 62.620 61.300 0.369 0.000 1.458 134 I CB -0.618 37.497 38.000 0.193 0.000 1.321 134 I HN 0.493 nan 8.210 nan 0.000 0.494 135 S N 5.445 121.328 115.700 0.305 0.000 2.640 135 S HA 0.451 4.921 4.470 -0.000 0.000 0.320 135 S C 0.884 175.547 174.600 0.104 0.000 1.097 135 S CA -0.584 57.709 58.200 0.155 0.000 1.092 135 S CB 1.569 64.838 63.200 0.116 0.000 0.988 135 S HN 0.746 nan 8.310 nan 0.000 0.470 136 T N -1.496 113.092 114.554 0.057 0.000 2.964 136 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 136 T C 0.867 175.572 174.700 0.010 0.000 0.982 136 T CA 0.138 62.256 62.100 0.031 0.000 0.959 136 T CB 0.071 68.954 68.868 0.023 0.000 1.141 136 T HN 0.615 nan 8.240 nan 0.000 0.494 137 T N -0.722 113.833 114.554 0.001 0.000 2.930 137 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 137 T C 1.103 175.788 174.700 -0.026 0.000 1.052 137 T CA -0.199 61.892 62.100 -0.015 0.000 1.017 137 T CB 1.825 70.679 68.868 -0.024 0.000 1.137 137 T HN -0.093 nan 8.240 nan 0.000 0.511 138 V N 1.153 121.047 119.914 -0.033 0.000 2.688 138 V HA -0.086 4.034 4.120 -0.000 0.000 0.256 138 V C 1.879 177.938 176.094 -0.057 0.000 1.084 138 V CA 1.408 63.684 62.300 -0.040 0.000 1.103 138 V CB -1.103 30.697 31.823 -0.039 0.000 0.688 138 V HN 0.780 nan 8.190 nan 0.000 0.480 139 L N -0.265 120.914 121.223 -0.073 0.000 2.093 139 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 139 L C 1.277 178.068 176.870 -0.132 0.000 1.085 139 L CA 1.314 56.079 54.840 -0.124 0.000 0.755 139 L CB -1.497 40.488 42.059 -0.124 0.000 0.904 139 L HN 0.417 nan 8.230 nan 0.000 0.435 140 D N -0.501 119.860 120.400 -0.065 0.000 2.406 140 D HA 0.006 4.646 4.640 -0.000 0.000 0.234 140 D C 1.362 177.668 176.300 0.010 0.000 1.196 140 D CA 0.826 54.812 54.000 -0.022 0.000 0.881 140 D CB 0.853 41.657 40.800 0.007 0.000 1.205 140 D HN 0.142 nan 8.370 nan 0.000 0.453 141 G N 1.644 110.489 108.800 0.076 0.000 2.855 141 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.227 141 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.227 141 G C 1.683 176.593 174.900 0.018 0.000 1.245 141 G CA 1.113 46.288 45.100 0.127 0.000 0.781 141 G HN 0.532 nan 8.290 nan 0.000 0.666 142 L N -0.001 121.107 121.223 -0.191 0.000 1.976 142 L HA -0.217 4.123 4.340 -0.000 0.000 0.223 142 L C 3.242 180.065 176.870 -0.078 0.000 1.081 142 L CA 2.148 56.839 54.840 -0.248 0.000 0.784 142 L CB -1.196 40.644 42.059 -0.365 0.000 0.896 142 L HN 0.324 nan 8.230 nan 0.000 0.438 143 S N -0.430 115.233 115.700 -0.062 0.000 2.378 143 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 143 S C 1.971 176.590 174.600 0.032 0.000 1.052 143 S CA 1.805 59.990 58.200 -0.024 0.000 1.084 143 S CB -0.307 62.875 63.200 -0.030 0.000 0.950 143 S HN 0.278 nan 8.310 nan 0.000 0.440 144 M N 1.185 120.823 119.600 0.064 0.000 2.065 144 M HA -0.074 4.406 4.480 -0.000 0.000 0.259 144 M C 2.582 179.016 176.300 0.224 0.000 1.069 144 M CA 1.826 57.204 55.300 0.130 0.000 1.110 144 M CB -1.877 30.824 32.600 0.168 0.000 1.328 144 M HN 0.398 nan 8.290 nan 0.000 0.405 145 A N 0.150 123.141 122.820 0.285 0.000 1.865 145 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 145 A C 2.425 180.199 177.584 0.316 0.000 1.191 145 A CA 2.629 54.898 52.037 0.386 0.000 0.623 145 A CB -1.194 18.102 19.000 0.493 0.000 0.826 145 A HN 0.518 nan 8.150 nan 0.000 0.444 146 A N 0.016 122.958 122.820 0.204 0.000 1.958 146 A HA -0.313 4.007 4.320 -0.000 0.000 0.221 146 A C 1.957 179.650 177.584 0.182 0.000 1.178 146 A CA 2.510 54.645 52.037 0.164 0.000 0.642 146 A CB -0.884 18.152 19.000 0.060 0.000 0.816 146 A HN 0.659 nan 8.150 nan 0.000 0.453 147 N N 0.020 118.812 118.700 0.154 0.000 2.022 147 N HA -0.222 4.518 4.740 -0.000 0.000 0.194 147 N C 2.046 177.671 175.510 0.190 0.000 1.057 147 N CA 2.090 55.221 53.050 0.136 0.000 0.849 147 N CB -0.509 38.038 38.487 0.100 0.000 1.044 147 N HN 0.708 nan 8.380 nan 0.000 0.424 148 Q N 0.072 119.999 119.800 0.212 0.000 2.297 148 Q HA -0.137 4.203 4.340 -0.000 0.000 0.208 148 Q C 1.873 178.013 176.000 0.233 0.000 0.981 148 Q CA 0.891 56.818 55.803 0.208 0.000 0.876 148 Q CB -0.269 28.599 28.738 0.217 0.000 0.921 148 Q HN 0.382 nan 8.270 nan 0.000 0.446 149 L N 0.196 121.596 121.223 0.295 0.000 1.993 149 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 149 L C 2.231 179.277 176.870 0.293 0.000 1.074 149 L CA 2.008 57.059 54.840 0.352 0.000 0.746 149 L CB -1.135 41.180 42.059 0.427 0.000 0.896 149 L HN 0.295 nan 8.230 nan 0.000 0.435 150 Y N 1.073 121.456 120.300 0.139 0.000 2.228 150 Y HA -0.294 4.256 4.550 -0.000 0.000 0.285 150 Y C 2.395 178.314 175.900 0.032 0.000 1.178 150 Y CA 1.905 60.033 58.100 0.046 0.000 1.202 150 Y CB -0.348 38.097 38.460 -0.024 0.000 0.974 150 Y HN 0.345 nan 8.280 nan 0.000 0.527 151 A N -0.380 122.581 122.820 0.236 0.000 1.828 151 A HA -0.275 4.045 4.320 -0.000 0.000 0.215 151 A C 2.059 179.663 177.584 0.033 0.000 1.203 151 A CA 1.616 53.738 52.037 0.142 0.000 0.614 151 A CB -1.781 17.305 19.000 0.143 0.000 0.844 151 A HN 0.618 nan 8.150 nan 0.000 0.445 152 Y N 0.746 121.015 120.300 -0.052 0.000 2.332 152 Y HA -0.243 4.307 4.550 0.000 0.000 0.283 152 Y C 2.151 177.913 175.900 -0.230 0.000 1.186 152 Y CA 1.823 59.826 58.100 -0.161 0.000 1.266 152 Y CB -0.123 38.209 38.460 -0.213 0.000 0.973 152 Y HN 0.079 nan 8.280 nan 0.000 0.548 153 V N -0.519 119.307 119.914 -0.147 0.000 2.379 153 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 153 V C 2.450 178.388 176.094 -0.260 0.000 1.035 153 V CA 1.524 63.694 62.300 -0.216 0.000 1.035 153 V CB -0.557 31.171 31.823 -0.159 0.000 0.673 153 V HN 0.139 nan 8.190 nan 0.000 0.457 154 R N 1.023 121.349 120.500 -0.291 0.000 2.127 154 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 154 R C 2.312 178.519 176.300 -0.154 0.000 1.134 154 R CA 1.541 57.517 56.100 -0.206 0.000 0.975 154 R CB -0.650 29.581 30.300 -0.113 0.000 0.865 154 R HN 0.591 nan 8.270 nan 0.000 0.447 155 K N 0.143 120.426 120.400 -0.195 0.000 2.052 155 K HA -0.146 4.174 4.320 -0.000 0.000 0.215 155 K C 1.503 177.973 176.600 -0.217 0.000 1.053 155 K CA 2.231 58.386 56.287 -0.219 0.000 0.934 155 K CB -0.142 32.145 32.500 -0.356 0.000 0.717 155 K HN 0.031 nan 8.250 nan 0.000 0.450 156 S N 0.378 115.918 115.700 -0.267 0.000 2.558 156 S HA 0.016 4.486 4.470 -0.000 0.000 0.217 156 S C 0.654 175.184 174.600 -0.116 0.000 0.975 156 S CA -0.122 57.957 58.200 -0.201 0.000 0.912 156 S CB -0.070 62.986 63.200 -0.239 0.000 0.776 156 S HN 0.392 nan 8.310 nan 0.000 0.526 157 N N 1.136 119.774 118.700 -0.104 0.000 2.566 157 N HA 0.544 5.284 4.740 -0.000 0.000 0.299 157 N C -0.652 174.836 175.510 -0.037 0.000 1.277 157 N CA -0.134 52.884 53.050 -0.053 0.000 0.965 157 N CB 1.136 39.600 38.487 -0.038 0.000 1.142 157 N HN 0.178 nan 8.380 nan 0.000 0.596 158 S N -1.888 113.805 115.700 -0.011 0.000 2.587 158 S HA 0.704 5.174 4.470 -0.000 0.000 0.269 158 S C -0.077 174.532 174.600 0.016 0.000 1.154 158 S CA -0.411 57.788 58.200 -0.002 0.000 0.824 158 S CB 0.771 63.967 63.200 -0.007 0.000 1.118 158 S HN 1.111 nan 8.310 nan 0.000 0.462 159 G N 0.809 109.620 108.800 0.019 0.000 2.698 159 G HA2 0.341 4.301 3.960 -0.000 0.000 0.233 159 G HA3 0.341 4.301 3.960 -0.000 0.000 0.233 159 G C 0.356 175.283 174.900 0.045 0.000 1.352 159 G CA -0.110 45.007 45.100 0.028 0.000 0.879 159 G HN 2.283 nan 8.290 nan 0.000 0.567 160 A N -0.009 122.839 122.820 0.046 0.000 2.630 160 A HA 0.321 4.641 4.320 -0.000 0.000 0.231 160 A C 0.983 178.624 177.584 0.094 0.000 1.023 160 A CA 1.919 53.992 52.037 0.061 0.000 0.773 160 A CB 0.035 19.067 19.000 0.054 0.000 0.923 160 A HN 1.204 nan 8.150 nan 0.000 0.497 161 K N 2.040 122.503 120.400 0.105 0.000 2.205 161 K HA 0.452 4.772 4.320 -0.000 0.000 0.279 161 K C 0.215 176.935 176.600 0.200 0.000 1.027 161 K CA -0.304 56.077 56.287 0.156 0.000 0.932 161 K CB 0.867 33.441 32.500 0.124 0.000 1.032 161 K HN 0.431 nan 8.250 nan 0.000 0.466 162 V N 4.197 124.321 119.914 0.350 0.000 3.484 162 V HA 0.121 4.241 4.120 -0.000 0.000 0.252 162 V C -0.374 176.019 176.094 0.499 0.000 1.282 162 V CA -0.013 62.510 62.300 0.370 0.000 1.104 162 V CB -0.249 31.732 31.823 0.262 0.000 0.868 162 V HN 0.797 nan 8.190 nan 0.000 0.457 163 Y N -1.605 118.790 120.300 0.158 0.000 2.513 163 Y HA 0.771 5.321 4.550 -0.000 0.000 0.340 163 Y C -0.517 175.510 175.900 0.212 0.000 1.055 163 Y CA -1.492 56.708 58.100 0.166 0.000 1.020 163 Y CB 1.152 39.717 38.460 0.174 0.000 1.301 163 Y HN -0.132 nan 8.280 nan 0.000 0.453 164 E N 1.202 121.475 120.200 0.123 0.000 2.392 164 E HA 0.236 4.586 4.350 -0.000 0.000 0.256 164 E C 0.737 177.247 176.600 -0.150 0.000 1.145 164 E CA 0.377 56.719 56.400 -0.096 0.000 0.929 164 E CB 1.349 31.011 29.700 -0.063 0.000 0.998 164 E HN 0.874 nan 8.360 nan 0.000 0.442 165 A N 2.572 125.132 122.820 -0.432 0.000 1.865 165 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 165 A C -0.549 177.027 177.584 -0.013 0.000 1.191 165 A CA 1.589 53.470 52.037 -0.260 0.000 0.623 165 A CB -1.572 17.194 19.000 -0.391 0.000 0.826 165 A HN 0.433 nan 8.150 nan 0.000 0.444 166 P HA -0.136 nan 4.420 nan 0.000 0.213 166 P C 0.383 177.679 177.300 -0.008 0.000 1.170 166 P CA 1.635 64.713 63.100 -0.035 0.000 0.898 166 P CB -0.267 31.400 31.700 -0.056 0.000 0.787 167 D N -1.054 119.361 120.400 0.024 0.000 2.239 167 D HA -0.175 4.465 4.640 -0.000 0.000 0.202 167 D C 1.825 178.213 176.300 0.146 0.000 0.993 167 D CA 0.800 54.843 54.000 0.073 0.000 0.874 167 D CB -0.656 40.232 40.800 0.147 0.000 0.922 167 D HN 0.145 nan 8.370 nan 0.000 0.464 168 L N -0.512 120.827 121.223 0.192 0.000 2.013 168 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 168 L C 2.109 179.063 176.870 0.140 0.000 1.081 168 L CA 0.818 55.810 54.840 0.253 0.000 0.751 168 L CB -0.252 41.989 42.059 0.302 0.000 0.901 168 L HN 0.011 nan 8.230 nan 0.000 0.440 169 M N 0.080 119.744 119.600 0.107 0.000 2.146 169 M HA -0.316 4.164 4.480 -0.000 0.000 0.256 169 M C 2.127 178.390 176.300 -0.061 0.000 1.075 169 M CA 2.224 57.548 55.300 0.041 0.000 1.082 169 M CB -0.549 32.065 32.600 0.023 0.000 1.355 169 M HN 0.411 nan 8.290 nan 0.000 0.402 170 M N -0.584 118.960 119.600 -0.093 0.000 2.065 170 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 170 M C 1.920 178.140 176.300 -0.133 0.000 1.071 170 M CA 2.573 57.756 55.300 -0.195 0.000 1.109 170 M CB -0.842 31.594 32.600 -0.274 0.000 1.313 170 M HN 0.430 nan 8.290 nan 0.000 0.408 171 T N -0.004 114.546 114.554 -0.006 0.000 2.624 171 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 171 T C 1.784 176.548 174.700 0.107 0.000 1.041 171 T CA 2.120 64.336 62.100 0.194 0.000 1.159 171 T CB -0.928 68.092 68.868 0.253 0.000 0.863 171 T HN 0.284 nan 8.240 nan 0.000 0.434 172 V N 1.647 121.581 119.914 0.033 0.000 2.231 172 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 172 V C 2.532 178.598 176.094 -0.047 0.000 1.058 172 V CA 1.854 64.151 62.300 -0.005 0.000 1.022 172 V CB -1.021 30.785 31.823 -0.028 0.000 0.640 172 V HN 0.373 nan 8.190 nan 0.000 0.445 173 L N 0.309 121.458 121.223 -0.124 0.000 1.990 173 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 173 L C 2.780 179.632 176.870 -0.030 0.000 1.072 173 L CA 2.035 56.786 54.840 -0.148 0.000 0.755 173 L CB -0.952 40.911 42.059 -0.327 0.000 0.889 173 L HN 0.361 nan 8.230 nan 0.000 0.432 174 A N -0.008 122.821 122.820 0.016 0.000 1.927 174 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 174 A C 2.257 179.929 177.584 0.146 0.000 1.185 174 A CA 2.195 54.309 52.037 0.129 0.000 0.639 174 A CB -0.887 18.265 19.000 0.253 0.000 0.820 174 A HN 0.444 nan 8.150 nan 0.000 0.451 175 I N -0.997 119.665 120.570 0.153 0.000 2.252 175 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 175 I C 2.819 179.073 176.117 0.228 0.000 1.102 175 I CA 1.772 63.185 61.300 0.188 0.000 1.385 175 I CB -0.523 37.627 38.000 0.250 0.000 1.064 175 I HN 0.605 nan 8.210 nan 0.000 0.414 176 Q N 1.120 120.998 119.800 0.131 0.000 2.020 176 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 176 Q C 2.051 178.155 176.000 0.173 0.000 0.982 176 Q CA 1.612 57.477 55.803 0.102 0.000 0.838 176 Q CB 0.060 28.779 28.738 -0.032 0.000 0.899 176 Q HN 0.307 nan 8.270 nan 0.000 0.423 177 E N 0.260 120.549 120.200 0.148 0.000 2.209 177 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 177 E C 1.728 178.446 176.600 0.196 0.000 0.993 177 E CA 1.031 57.549 56.400 0.197 0.000 0.819 177 E CB -0.283 29.565 29.700 0.246 0.000 0.745 177 E HN 0.506 nan 8.360 nan 0.000 0.477 178 A N 0.026 122.929 122.820 0.137 0.000 1.873 178 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 178 A C 2.030 179.619 177.584 0.009 0.000 1.186 178 A CA 1.116 53.164 52.037 0.018 0.000 0.616 178 A CB -0.867 18.072 19.000 -0.102 0.000 0.823 178 A HN 0.252 nan 8.150 nan 0.000 0.442 179 Y N -0.202 120.103 120.300 0.007 0.000 2.274 179 Y HA -0.240 4.310 4.550 -0.000 0.000 0.290 179 Y C 2.572 178.573 175.900 0.168 0.000 1.145 179 Y CA 1.919 60.023 58.100 0.006 0.000 1.203 179 Y CB -0.232 38.249 38.460 0.035 0.000 0.984 179 Y HN 0.397 nan 8.280 nan 0.000 0.533 180 R N 0.221 120.942 120.500 0.369 0.000 2.112 180 R HA -0.197 4.143 4.340 -0.000 0.000 0.242 180 R C 2.012 178.529 176.300 0.363 0.000 1.137 180 R CA 2.262 58.587 56.100 0.375 0.000 0.944 180 R CB -1.116 29.361 30.300 0.294 0.000 0.857 180 R HN 0.172 nan 8.270 nan 0.000 0.435 181 V N 1.013 121.093 119.914 0.277 0.000 2.233 181 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 181 V C 2.422 178.625 176.094 0.182 0.000 1.050 181 V CA 2.150 64.616 62.300 0.276 0.000 1.010 181 V CB -0.675 31.278 31.823 0.216 0.000 0.637 181 V HN 0.459 nan 8.190 nan 0.000 0.444 182 L N -1.181 120.059 121.223 0.027 0.000 2.021 182 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 182 L C 2.375 179.318 176.870 0.122 0.000 1.074 182 L CA 2.166 56.953 54.840 -0.088 0.000 0.760 182 L CB -0.373 41.487 42.059 -0.333 0.000 0.889 182 L HN 0.288 nan 8.230 nan 0.000 0.433 183 F N 0.154 120.230 119.950 0.210 0.000 2.095 183 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 183 F C 2.589 178.522 175.800 0.222 0.000 1.104 183 F CA 1.736 59.886 58.000 0.250 0.000 1.232 183 F CB -0.077 39.061 39.000 0.229 0.000 0.987 183 F HN 0.150 nan 8.300 nan 0.000 0.475 184 E N 0.461 120.912 120.200 0.418 0.000 2.209 184 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 184 E C 2.075 178.819 176.600 0.240 0.000 0.993 184 E CA 1.108 57.688 56.400 0.301 0.000 0.819 184 E CB -0.140 29.729 29.700 0.281 0.000 0.745 184 E HN 0.451 nan 8.360 nan 0.000 0.477 185 I N 0.002 120.718 120.570 0.242 0.000 2.286 185 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 185 I C 2.650 178.896 176.117 0.215 0.000 1.104 185 I CA 0.736 62.168 61.300 0.220 0.000 1.397 185 I CB -0.273 37.848 38.000 0.201 0.000 1.072 185 I HN 0.073 nan 8.210 nan 0.000 0.417 186 R N 1.478 122.144 120.500 0.277 0.000 2.082 186 R HA -0.263 4.077 4.340 -0.000 0.000 0.234 186 R C 2.503 178.886 176.300 0.138 0.000 1.136 186 R CA 2.138 58.312 56.100 0.123 0.000 0.935 186 R CB -0.307 30.198 30.300 0.341 0.000 0.842 186 R HN 0.147 nan 8.270 nan 0.000 0.430 187 R N 0.229 120.878 120.500 0.249 0.000 2.133 187 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 187 R C 2.141 178.611 176.300 0.283 0.000 1.137 187 R CA 2.236 58.509 56.100 0.289 0.000 0.947 187 R CB -0.646 29.809 30.300 0.259 0.000 0.865 187 R HN 0.396 nan 8.270 nan 0.000 0.437 188 A N 0.489 123.427 122.820 0.197 0.000 1.927 188 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 188 A C 2.223 180.044 177.584 0.396 0.000 1.185 188 A CA 2.069 54.251 52.037 0.241 0.000 0.639 188 A CB -0.602 18.522 19.000 0.207 0.000 0.820 188 A HN 0.476 nan 8.150 nan 0.000 0.451 189 I N -1.121 119.578 120.570 0.215 0.000 2.339 189 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 189 I C 2.404 178.601 176.117 0.134 0.000 1.096 189 I CA 1.438 62.825 61.300 0.145 0.000 1.408 189 I CB -0.922 37.069 38.000 -0.016 0.000 1.092 189 I HN 0.222 nan 8.210 nan 0.000 0.423 190 T N 0.921 115.505 114.554 0.050 0.000 2.822 190 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 190 T C 1.421 176.078 174.700 -0.071 0.000 1.064 190 T CA 1.666 63.728 62.100 -0.063 0.000 1.131 190 T CB -0.398 68.365 68.868 -0.175 0.000 0.858 190 T HN 0.214 nan 8.240 nan 0.000 0.483 191 F N 0.476 120.544 119.950 0.196 0.000 2.727 191 F HA 0.468 4.995 4.527 -0.000 0.000 0.302 191 F C 2.249 178.343 175.800 0.490 0.000 1.097 191 F CA -0.430 57.740 58.000 0.284 0.000 1.330 191 F CB -0.012 39.092 39.000 0.174 0.000 1.084 191 F HN 0.086 nan 8.300 nan 0.000 0.578 192 A N 0.114 123.286 122.820 0.586 0.000 2.178 192 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 192 A C 1.287 179.081 177.584 0.350 0.000 1.157 192 A CA 1.538 53.792 52.037 0.362 0.000 0.689 192 A CB -0.726 18.358 19.000 0.139 0.000 0.787 192 A HN 0.524 nan 8.150 nan 0.000 0.465 193 N N -2.492 116.439 118.700 0.384 0.000 2.197 193 N HA 0.149 4.889 4.740 -0.000 0.000 0.228 193 N C -0.689 175.158 175.510 0.561 0.000 1.212 193 N CA -0.328 53.002 53.050 0.467 0.000 0.883 193 N CB 0.472 39.157 38.487 0.331 0.000 1.107 193 N HN 0.409 nan 8.380 nan 0.000 0.519 194 Y N 0.975 121.459 120.300 0.308 0.000 2.393 194 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 194 Y C -1.162 174.840 175.900 0.171 0.000 1.029 194 Y CA -0.724 57.547 58.100 0.285 0.000 1.239 194 Y CB 0.117 38.767 38.460 0.316 0.000 1.170 194 Y HN -0.008 nan 8.280 nan 0.000 0.515 195 W N 5.562 126.664 121.300 -0.331 0.000 2.998 195 W HA 0.380 5.040 4.660 -0.000 0.000 0.335 195 W C -0.595 175.648 176.519 -0.460 0.000 1.110 195 W CA -0.851 56.317 57.345 -0.296 0.000 1.230 195 W CB 1.374 30.778 29.460 -0.094 0.000 1.405 195 W HN 0.414 nan 8.180 nan 0.000 0.493 196 N N 4.078 122.702 118.700 -0.127 0.000 2.727 196 N HA 0.025 4.765 4.740 -0.000 0.000 0.252 196 N C 0.713 176.315 175.510 0.153 0.000 1.283 196 N CA -0.389 52.644 53.050 -0.029 0.000 0.782 196 N CB 0.001 38.444 38.487 -0.073 0.000 1.199 196 N HN 0.484 nan 8.380 nan 0.000 0.520 197 F N 2.455 122.393 119.950 -0.020 0.000 2.198 197 F HA -0.436 4.091 4.527 -0.000 0.000 0.263 197 F C 1.158 176.930 175.800 -0.046 0.000 1.113 197 F CA 2.591 60.523 58.000 -0.113 0.000 1.493 197 F CB -0.728 38.058 39.000 -0.357 0.000 0.848 197 F HN 0.576 nan 8.300 nan 0.000 0.488 198 W N -0.241 121.113 121.300 0.090 0.000 2.361 198 W HA -0.215 4.445 4.660 -0.000 0.000 0.270 198 W C 1.070 177.555 176.519 -0.057 0.000 1.210 198 W CA 0.869 58.206 57.345 -0.013 0.000 1.174 198 W CB -0.390 29.149 29.460 0.132 0.000 1.131 198 W HN 0.056 nan 8.180 nan 0.000 0.575 199 N N 0.277 119.081 118.700 0.174 0.000 2.682 199 N HA 0.097 4.837 4.740 -0.000 0.000 0.252 199 N C 0.402 175.950 175.510 0.063 0.000 1.081 199 N CA -0.127 53.009 53.050 0.143 0.000 0.844 199 N CB 0.685 39.275 38.487 0.171 0.000 1.167 199 N HN 0.016 nan 8.380 nan 0.000 0.523 200 K N 1.417 121.821 120.400 0.006 0.000 2.360 200 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 200 K C 0.759 177.321 176.600 -0.063 0.000 1.046 200 K CA 1.125 57.384 56.287 -0.047 0.000 0.945 200 K CB 0.168 32.626 32.500 -0.071 0.000 0.750 200 K HN 0.492 nan 8.250 nan 0.000 0.464 201 Y N 1.341 121.615 120.300 -0.042 0.000 2.070 201 Y HA -0.270 4.280 4.550 -0.000 0.000 0.279 201 Y C 2.173 177.977 175.900 -0.160 0.000 1.134 201 Y CA 1.131 59.189 58.100 -0.070 0.000 1.113 201 Y CB -0.354 38.085 38.460 -0.035 0.000 0.981 201 Y HN -0.060 nan 8.280 nan 0.000 0.487 202 L N 0.077 121.329 121.223 0.047 0.000 2.192 202 L HA -0.372 3.968 4.340 -0.000 0.000 0.250 202 L C -0.285 176.391 176.870 -0.323 0.000 1.103 202 L CA 2.276 57.058 54.840 -0.097 0.000 0.840 202 L CB -2.273 39.735 42.059 -0.085 0.000 0.951 202 L HN 0.189 nan 8.230 nan 0.000 0.437 203 P HA -0.311 nan 4.420 nan 0.000 0.220 203 P C 1.107 177.724 177.300 -1.138 0.000 0.885 203 P CA 2.367 64.693 63.100 -1.290 0.000 1.045 203 P CB -0.122 30.189 31.700 -2.316 0.000 0.724 204 K N -1.166 118.574 120.400 -1.101 0.000 2.315 204 K HA -0.032 4.288 4.320 -0.000 0.000 0.215 204 K C 2.464 178.872 176.600 -0.320 0.000 1.047 204 K CA 0.212 55.888 56.287 -1.020 0.000 1.020 204 K CB -0.547 31.493 32.500 -0.767 0.000 1.211 204 K HN -0.087 nan 8.250 nan 0.000 0.462 205 Q N 0.237 119.917 119.800 -0.200 0.000 2.263 205 Q HA -0.317 4.023 4.340 -0.000 0.000 0.221 205 Q C 2.042 178.026 176.000 -0.027 0.000 1.071 205 Q CA 2.645 58.418 55.803 -0.049 0.000 0.966 205 Q CB -1.269 27.496 28.738 0.046 0.000 1.094 205 Q HN 0.333 nan 8.270 nan 0.000 0.454 206 V N 0.160 120.064 119.914 -0.017 0.000 2.332 206 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 206 V C 2.088 178.143 176.094 -0.066 0.000 1.055 206 V CA 2.131 64.383 62.300 -0.080 0.000 1.038 206 V CB -0.734 31.042 31.823 -0.079 0.000 0.651 206 V HN 0.175 nan 8.190 nan 0.000 0.450 207 F N 0.729 120.607 119.950 -0.120 0.000 2.069 207 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 207 F C 2.539 178.302 175.800 -0.062 0.000 1.113 207 F CA 1.865 59.843 58.000 -0.036 0.000 1.214 207 F CB -0.622 38.450 39.000 0.119 0.000 0.978 207 F HN 0.212 nan 8.300 nan 0.000 0.474 208 E N -0.508 119.779 120.200 0.146 0.000 2.070 208 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 208 E C 2.102 178.658 176.600 -0.073 0.000 1.004 208 E CA 1.473 57.901 56.400 0.047 0.000 0.805 208 E CB -0.222 29.495 29.700 0.029 0.000 0.744 208 E HN 0.448 nan 8.360 nan 0.000 0.451 209 Q N -0.224 119.436 119.800 -0.233 0.000 2.274 209 Q HA 0.031 4.371 4.340 -0.000 0.000 0.198 209 Q C 2.296 177.929 176.000 -0.611 0.000 0.955 209 Q CA 0.352 55.818 55.803 -0.561 0.000 0.859 209 Q CB -0.435 27.627 28.738 -1.127 0.000 0.956 209 Q HN 0.170 nan 8.270 nan 0.000 0.516 210 L N 0.554 121.459 121.223 -0.530 0.000 2.056 210 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 210 L C 2.135 178.882 176.870 -0.205 0.000 1.078 210 L CA 1.587 56.226 54.840 -0.334 0.000 0.749 210 L CB -0.812 41.070 42.059 -0.295 0.000 0.901 210 L HN 0.142 nan 8.230 nan 0.000 0.433 211 L N -1.722 119.367 121.223 -0.223 0.000 2.515 211 L HA 0.298 4.638 4.340 -0.000 0.000 0.223 211 L C 1.135 177.933 176.870 -0.120 0.000 1.079 211 L CA 0.495 55.221 54.840 -0.190 0.000 0.857 211 L CB -0.162 41.690 42.059 -0.345 0.000 1.050 211 L HN 0.210 nan 8.230 nan 0.000 0.476 212 A N 1.234 123.998 122.820 -0.092 0.000 3.002 212 A HA -0.143 4.177 4.320 -0.000 0.000 0.272 212 A C -0.086 177.479 177.584 -0.031 0.000 1.421 212 A CA 0.480 52.483 52.037 -0.057 0.000 0.766 212 A CB -2.256 16.696 19.000 -0.080 0.000 1.034 212 A HN 0.195 nan 8.150 nan 0.000 0.541 213 I N 0.043 120.646 120.570 0.056 0.000 2.498 213 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 213 I C 0.137 176.386 176.117 0.219 0.000 1.032 213 I CA -1.134 60.246 61.300 0.133 0.000 1.073 213 I CB 1.610 39.740 38.000 0.217 0.000 1.251 213 I HN 0.369 nan 8.210 nan 0.000 0.426 214 D N 4.939 125.423 120.400 0.139 0.000 2.359 214 D HA -0.077 4.563 4.640 -0.000 0.000 0.273 214 D C 0.887 177.269 176.300 0.136 0.000 1.362 214 D CA 0.286 54.365 54.000 0.132 0.000 1.010 214 D CB 0.292 41.144 40.800 0.087 0.000 1.090 214 D HN 0.453 nan 8.370 nan 0.000 0.521 215 F N 4.193 124.145 119.950 0.004 0.000 2.051 215 F HA -0.222 4.305 4.527 0.000 0.000 0.296 215 F C 1.794 177.533 175.800 -0.102 0.000 1.122 215 F CA 1.432 59.331 58.000 -0.168 0.000 1.201 215 F CB 0.167 38.998 39.000 -0.281 0.000 0.978 215 F HN 0.308 nan 8.300 nan 0.000 0.472 216 D N 0.225 120.700 120.400 0.124 0.000 2.133 216 D HA -0.296 4.344 4.640 -0.000 0.000 0.192 216 D C 1.793 178.038 176.300 -0.092 0.000 1.001 216 D CA 2.118 56.137 54.000 0.031 0.000 0.844 216 D CB -0.765 40.093 40.800 0.096 0.000 0.944 216 D HN 0.463 nan 8.370 nan 0.000 0.447 217 D N -0.062 120.319 120.400 -0.033 0.000 2.123 217 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 217 D C 2.088 178.386 176.300 -0.003 0.000 0.992 217 D CA 0.533 54.530 54.000 -0.006 0.000 0.833 217 D CB -0.094 40.749 40.800 0.071 0.000 0.954 217 D HN 0.048 nan 8.370 nan 0.000 0.455 218 L N 0.197 121.405 121.223 -0.024 0.000 2.027 218 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 218 L C 2.312 179.077 176.870 -0.174 0.000 1.074 218 L CA 1.851 56.712 54.840 0.035 0.000 0.745 218 L CB -0.834 41.178 42.059 -0.078 0.000 0.898 218 L HN 0.253 nan 8.230 nan 0.000 0.433 219 M N -1.346 117.965 119.600 -0.482 0.000 2.080 219 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 219 M C 2.114 178.291 176.300 -0.204 0.000 1.068 219 M CA 2.302 57.340 55.300 -0.436 0.000 1.109 219 M CB -0.143 32.069 32.600 -0.646 0.000 1.342 219 M HN 0.319 nan 8.290 nan 0.000 0.405 220 S N 1.080 116.675 115.700 -0.176 0.000 2.419 220 S HA -0.036 4.434 4.470 -0.000 0.000 0.233 220 S C 1.050 175.557 174.600 -0.154 0.000 1.016 220 S CA 1.141 59.266 58.200 -0.126 0.000 0.974 220 S CB -0.323 62.816 63.200 -0.102 0.000 0.786 220 S HN 0.600 nan 8.310 nan 0.000 0.492 221 N N 0.562 119.135 118.700 -0.212 0.000 2.338 221 N HA 0.161 4.901 4.740 -0.000 0.000 0.251 221 N C 0.878 176.246 175.510 -0.236 0.000 1.199 221 N CA -0.051 52.810 53.050 -0.316 0.000 0.879 221 N CB 0.675 38.782 38.487 -0.633 0.000 1.159 221 N HN 0.214 nan 8.380 nan 0.000 0.514 222 K N 1.850 122.187 120.400 -0.105 0.000 2.173 222 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 222 K C 1.739 178.335 176.600 -0.005 0.000 1.046 222 K CA 1.637 57.913 56.287 -0.019 0.000 0.929 222 K CB -0.037 32.448 32.500 -0.025 0.000 0.720 222 K HN 0.189 nan 8.250 nan 0.000 0.453 223 A N 0.877 123.670 122.820 -0.045 0.000 1.825 223 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 223 A C 2.115 179.688 177.584 -0.020 0.000 1.206 223 A CA 1.885 53.906 52.037 -0.026 0.000 0.609 223 A CB -1.265 17.710 19.000 -0.040 0.000 0.851 223 A HN 0.572 nan 8.150 nan 0.000 0.445 224 N N -1.295 117.354 118.700 -0.085 0.000 2.137 224 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 224 N C 1.575 177.074 175.510 -0.019 0.000 1.017 224 N CA 2.204 55.200 53.050 -0.089 0.000 0.859 224 N CB -0.541 37.831 38.487 -0.191 0.000 1.002 224 N HN 0.680 nan 8.380 nan 0.000 0.428 225 Y N -0.621 119.620 120.300 -0.098 0.000 2.242 225 Y HA -0.228 4.322 4.550 -0.000 0.000 0.291 225 Y C 2.675 178.594 175.900 0.032 0.000 1.137 225 Y CA 0.624 58.642 58.100 -0.136 0.000 1.181 225 Y CB -0.180 38.199 38.460 -0.134 0.000 0.989 225 Y HN 0.253 nan 8.280 nan 0.000 0.527 226 C N -0.427 118.993 119.300 0.200 0.000 2.436 226 C HA -0.242 4.218 4.460 -0.000 0.000 0.277 226 C C 3.014 178.157 174.990 0.255 0.000 1.241 226 C CA 1.246 60.368 59.018 0.172 0.000 1.721 226 C CB -1.362 26.431 27.740 0.088 0.000 2.043 226 C HN 0.654 nan 8.230 nan 0.000 0.472 227 A N -0.481 122.445 122.820 0.178 0.000 1.841 227 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 227 A C 2.078 179.799 177.584 0.228 0.000 1.199 227 A CA 1.891 54.029 52.037 0.167 0.000 0.621 227 A CB -0.999 18.056 19.000 0.093 0.000 0.835 227 A HN 0.730 nan 8.150 nan 0.000 0.445 228 Q N -1.925 118.010 119.800 0.225 0.000 2.268 228 Q HA -0.244 4.096 4.340 -0.000 0.000 0.210 228 Q C 1.813 178.137 176.000 0.540 0.000 0.988 228 Q CA 1.916 57.903 55.803 0.307 0.000 0.883 228 Q CB -0.305 28.533 28.738 0.166 0.000 0.911 228 Q HN 0.791 nan 8.270 nan 0.000 0.430 229 F N 1.521 121.722 119.950 0.417 0.000 2.022 229 F HA -0.177 4.350 4.527 0.000 0.000 0.293 229 F C 1.931 177.798 175.800 0.113 0.000 1.142 229 F CA 1.387 59.566 58.000 0.298 0.000 1.177 229 F CB -0.439 38.718 39.000 0.262 0.000 0.982 229 F HN 0.015 nan 8.300 nan 0.000 0.473 230 N N 1.278 120.210 118.700 0.387 0.000 2.184 230 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 230 N C 2.084 177.583 175.510 -0.019 0.000 1.011 230 N CA 1.654 54.793 53.050 0.150 0.000 0.867 230 N CB -0.548 38.082 38.487 0.238 0.000 0.993 230 N HN 0.402 nan 8.380 nan 0.000 0.433 231 L N 0.212 121.455 121.223 0.033 0.000 1.989 231 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 231 L C 2.438 179.255 176.870 -0.090 0.000 1.071 231 L CA 1.203 56.044 54.840 0.001 0.000 0.749 231 L CB -0.365 41.724 42.059 0.050 0.000 0.890 231 L HN 0.148 nan 8.230 nan 0.000 0.431 232 M N -0.007 119.497 119.600 -0.161 0.000 2.073 232 M HA -0.225 4.255 4.480 -0.000 0.000 0.258 232 M C 2.373 178.459 176.300 -0.356 0.000 1.070 232 M CA 2.288 57.410 55.300 -0.297 0.000 1.103 232 M CB -0.714 31.617 32.600 -0.448 0.000 1.321 232 M HN 0.264 nan 8.290 nan 0.000 0.405 233 A N -1.036 121.505 122.820 -0.465 0.000 1.958 233 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 233 A C 2.067 179.555 177.584 -0.160 0.000 1.178 233 A CA 2.222 54.038 52.037 -0.369 0.000 0.642 233 A CB -0.808 17.967 19.000 -0.375 0.000 0.816 233 A HN 0.724 nan 8.150 nan 0.000 0.453 234 Q N -0.956 118.779 119.800 -0.108 0.000 2.096 234 Q HA -0.068 4.272 4.340 -0.000 0.000 0.197 234 Q C 2.077 178.075 176.000 -0.003 0.000 0.964 234 Q CA 1.362 57.148 55.803 -0.029 0.000 0.838 234 Q CB -0.092 28.638 28.738 -0.013 0.000 0.906 234 Q HN 0.665 nan 8.270 nan 0.000 0.444 235 K N 0.527 120.906 120.400 -0.036 0.000 2.148 235 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 235 K C 1.923 178.573 176.600 0.084 0.000 1.050 235 K CA 0.828 57.121 56.287 0.011 0.000 0.942 235 K CB 0.019 32.495 32.500 -0.040 0.000 0.724 235 K HN 0.203 nan 8.250 nan 0.000 0.446 236 I N 1.309 121.837 120.570 -0.071 0.000 2.876 236 I HA -0.182 3.988 4.170 -0.000 0.000 0.264 236 I C 1.755 177.989 176.117 0.195 0.000 1.204 236 I CA 0.727 61.954 61.300 -0.121 0.000 1.485 236 I CB 0.040 37.729 38.000 -0.520 0.000 1.103 236 I HN 0.119 nan 8.210 nan 0.000 0.446 237 N N 0.600 119.401 118.700 0.168 0.000 2.443 237 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 237 N C 1.605 177.313 175.510 0.330 0.000 1.037 237 N CA 1.868 55.065 53.050 0.245 0.000 0.896 237 N CB -0.207 38.367 38.487 0.144 0.000 0.959 237 N HN 0.440 nan 8.380 nan 0.000 0.442 238 T N -3.446 111.306 114.554 0.330 0.000 3.129 238 T HA 0.138 4.488 4.350 -0.000 0.000 0.251 238 T C -0.051 174.840 174.700 0.319 0.000 1.117 238 T CA -0.126 62.128 62.100 0.257 0.000 1.034 238 T CB -0.623 68.288 68.868 0.072 0.000 0.968 238 T HN -0.017 nan 8.240 nan 0.000 0.526 239 F N 2.665 122.831 119.950 0.360 0.000 2.293 239 F HA 0.701 5.228 4.527 0.000 0.000 0.370 239 F C 0.892 177.034 175.800 0.570 0.000 1.090 239 F CA -1.908 56.498 58.000 0.676 0.000 1.133 239 F CB 0.233 39.537 39.000 0.507 0.000 1.360 239 F HN 0.225 nan 8.300 nan 0.000 0.489 240 A N 4.257 127.545 122.820 0.780 0.000 2.615 240 A HA 0.331 4.651 4.320 -0.000 0.000 0.230 240 A C -0.335 177.379 177.584 0.218 0.000 1.062 240 A CA 0.344 52.626 52.037 0.408 0.000 0.758 240 A CB 0.141 19.348 19.000 0.345 0.000 0.995 240 A HN 0.887 nan 8.150 nan 0.000 0.511 241 L N 3.022 124.294 121.223 0.081 0.000 3.688 241 L HA 0.226 4.566 4.340 -0.000 0.000 0.258 241 L C -2.768 174.021 176.870 -0.135 0.000 0.993 241 L CA -1.362 53.488 54.840 0.016 0.000 1.283 241 L CB 2.306 44.418 42.059 0.088 0.000 1.960 241 L HN 0.569 nan 8.230 nan 0.000 0.652 242 P HA 0.002 nan 4.420 nan 0.000 0.262 242 P C -0.168 176.868 177.300 -0.440 0.000 1.199 242 P CA -0.088 62.614 63.100 -0.663 0.000 0.763 242 P CB 0.493 31.520 31.700 -1.121 0.000 0.790 243 K N 3.224 123.462 120.400 -0.270 0.000 2.611 243 K HA -0.124 4.196 4.320 -0.000 0.000 0.193 243 K C 1.037 177.556 176.600 -0.135 0.000 1.026 243 K CA 0.533 56.767 56.287 -0.088 0.000 1.063 243 K CB -0.725 31.794 32.500 0.032 0.000 0.839 243 K HN 0.392 nan 8.250 nan 0.000 0.505 244 Y N -0.887 119.225 120.300 -0.314 0.000 2.490 244 Y HA 0.275 4.825 4.550 -0.000 0.000 0.285 244 Y C -0.029 175.661 175.900 -0.349 0.000 1.117 244 Y CA -1.106 56.784 58.100 -0.350 0.000 1.262 244 Y CB -0.308 37.883 38.460 -0.449 0.000 1.043 244 Y HN -0.142 nan 8.280 nan 0.000 0.553 245 F N 3.486 123.049 119.950 -0.646 0.000 2.506 245 F HA 0.134 4.661 4.527 -0.000 0.000 0.353 245 F C 1.426 177.003 175.800 -0.371 0.000 1.194 245 F CA 0.039 57.724 58.000 -0.524 0.000 1.048 245 F CB 0.180 38.800 39.000 -0.633 0.000 1.160 245 F HN 0.097 nan 8.300 nan 0.000 0.598 246 K N 0.881 121.224 120.400 -0.095 0.000 2.286 246 K HA -0.224 4.096 4.320 -0.000 0.000 0.203 246 K C 2.261 178.726 176.600 -0.224 0.000 1.045 246 K CA 1.469 57.672 56.287 -0.141 0.000 0.935 246 K CB -0.119 32.316 32.500 -0.109 0.000 0.737 246 K HN 0.653 nan 8.250 nan 0.000 0.460 247 S N 1.094 116.582 115.700 -0.353 0.000 2.383 247 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 247 S C 1.931 176.319 174.600 -0.354 0.000 1.030 247 S CA 0.983 58.897 58.200 -0.478 0.000 1.002 247 S CB -0.515 62.065 63.200 -1.032 0.000 0.829 247 S HN 0.223 nan 8.310 nan 0.000 0.467 248 I N 1.690 122.053 120.570 -0.344 0.000 2.099 248 I HA -0.191 3.979 4.170 -0.000 0.000 0.239 248 I C 2.542 178.478 176.117 -0.303 0.000 1.066 248 I CA 1.514 62.600 61.300 -0.357 0.000 1.324 248 I CB -0.625 37.066 38.000 -0.515 0.000 1.037 248 I HN 0.288 nan 8.210 nan 0.000 0.401 249 L N 0.264 121.337 121.223 -0.250 0.000 2.103 249 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 249 L C 2.703 179.472 176.870 -0.168 0.000 1.080 249 L CA 1.388 56.121 54.840 -0.179 0.000 0.764 249 L CB -0.716 41.257 42.059 -0.142 0.000 0.890 249 L HN 0.315 nan 8.230 nan 0.000 0.435 250 R N 1.430 121.820 120.500 -0.183 0.000 2.127 250 R HA -0.206 4.134 4.340 -0.000 0.000 0.219 250 R C 2.426 178.613 176.300 -0.187 0.000 1.133 250 R CA 2.293 58.297 56.100 -0.160 0.000 0.890 250 R CB -0.879 29.307 30.300 -0.189 0.000 0.804 250 R HN 0.335 nan 8.270 nan 0.000 0.443 251 M N -0.179 119.289 119.600 -0.221 0.000 2.146 251 M HA -0.174 4.306 4.480 -0.000 0.000 0.256 251 M C 2.069 178.201 176.300 -0.280 0.000 1.075 251 M CA 2.703 57.878 55.300 -0.209 0.000 1.082 251 M CB -0.772 31.759 32.600 -0.116 0.000 1.355 251 M HN 0.214 nan 8.290 nan 0.000 0.402 252 A N -0.235 122.338 122.820 -0.411 0.000 1.865 252 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 252 A C 2.197 179.497 177.584 -0.474 0.000 1.191 252 A CA 1.926 53.449 52.037 -0.857 0.000 0.623 252 A CB -1.474 17.110 19.000 -0.693 0.000 0.826 252 A HN 0.774 nan 8.150 nan 0.000 0.444 253 Y N 0.861 120.961 120.300 -0.335 0.000 2.181 253 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 253 Y C 2.359 178.214 175.900 -0.076 0.000 1.146 253 Y CA 1.562 59.561 58.100 -0.169 0.000 1.164 253 Y CB -0.454 37.936 38.460 -0.116 0.000 0.982 253 Y HN 0.062 nan 8.280 nan 0.000 0.515 254 V N -0.173 119.618 119.914 -0.204 0.000 2.407 254 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 254 V C 1.764 177.775 176.094 -0.138 0.000 1.055 254 V CA 2.088 64.162 62.300 -0.376 0.000 1.049 254 V CB -1.011 30.428 31.823 -0.639 0.000 0.662 254 V HN 0.576 nan 8.190 nan 0.000 0.455 255 S N -2.320 113.336 115.700 -0.072 0.000 2.588 255 S HA 0.275 4.745 4.470 -0.000 0.000 0.245 255 S C 1.092 175.754 174.600 0.104 0.000 1.021 255 S CA 0.246 58.505 58.200 0.098 0.000 1.006 255 S CB 0.946 64.264 63.200 0.197 0.000 0.830 255 S HN 0.271 nan 8.310 nan 0.000 0.468 256 S N 1.106 116.824 115.700 0.030 0.000 2.549 256 S HA 0.383 4.853 4.470 -0.000 0.000 0.225 256 S C 0.034 174.726 174.600 0.152 0.000 1.039 256 S CA -0.238 58.021 58.200 0.098 0.000 0.942 256 S CB 0.092 63.291 63.200 -0.002 0.000 0.881 256 S HN 0.655 nan 8.310 nan 0.000 0.503 257 N N -0.297 118.427 118.700 0.040 0.000 2.966 257 N HA 0.627 5.367 4.740 -0.000 0.000 0.314 257 N C -1.364 174.043 175.510 -0.173 0.000 1.397 257 N CA -0.662 52.381 53.050 -0.012 0.000 0.776 257 N CB 1.125 39.337 38.487 -0.459 0.000 1.576 257 N HN -0.013 nan 8.380 nan 0.000 0.592 258 I N 0.646 120.978 120.570 -0.398 0.000 2.619 258 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 258 I C -1.369 174.516 176.117 -0.386 0.000 1.100 258 I CA -0.579 60.522 61.300 -0.332 0.000 1.043 258 I CB 1.372 39.023 38.000 -0.580 0.000 1.239 258 I HN 0.281 nan 8.210 nan 0.000 0.420 259 F N 4.935 124.860 119.950 -0.042 0.000 2.458 259 F HA 0.618 5.145 4.527 -0.000 0.000 0.330 259 F C 0.227 176.061 175.800 0.056 0.000 1.082 259 F CA -0.860 57.143 58.000 0.004 0.000 0.995 259 F CB 1.238 40.226 39.000 -0.020 0.000 1.170 259 F HN 0.128 nan 8.300 nan 0.000 0.478 260 M N 2.189 121.943 119.600 0.256 0.000 2.478 260 M HA 0.250 4.730 4.480 -0.000 0.000 0.327 260 M C 0.605 177.081 176.300 0.293 0.000 1.187 260 M CA -0.631 54.807 55.300 0.229 0.000 1.022 260 M CB 1.378 34.111 32.600 0.223 0.000 1.629 260 M HN 0.677 nan 8.290 nan 0.000 0.461 261 D N 0.248 120.785 120.400 0.229 0.000 2.340 261 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 261 D C -0.212 176.301 176.300 0.355 0.000 1.039 261 D CA 0.287 54.454 54.000 0.278 0.000 0.866 261 D CB 0.298 41.247 40.800 0.248 0.000 0.913 261 D HN 0.583 nan 8.370 nan 0.000 0.523 262 S N -0.328 115.571 115.700 0.331 0.000 2.611 262 S HA 0.140 4.610 4.470 -0.000 0.000 0.268 262 S C 0.051 174.436 174.600 -0.358 0.000 1.156 262 S CA -0.537 57.702 58.200 0.065 0.000 0.817 262 S CB 1.255 64.470 63.200 0.024 0.000 1.122 262 S HN 0.002 nan 8.310 nan 0.000 0.466 263 D N 0.252 120.146 120.400 -0.843 0.000 2.390 263 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 263 D C 0.603 176.749 176.300 -0.256 0.000 1.040 263 D CA 0.370 53.971 54.000 -0.665 0.000 0.923 263 D CB -0.349 40.069 40.800 -0.635 0.000 0.886 263 D HN 0.781 nan 8.370 nan 0.000 0.532 264 A N 0.294 123.014 122.820 -0.167 0.000 2.317 264 A HA 0.436 4.756 4.320 -0.000 0.000 0.327 264 A C 1.170 178.749 177.584 -0.008 0.000 1.178 264 A CA -0.763 51.224 52.037 -0.083 0.000 0.817 264 A CB 1.857 20.800 19.000 -0.095 0.000 1.189 264 A HN -0.023 nan 8.150 nan 0.000 0.489 265 V N 2.002 121.940 119.914 0.039 0.000 2.548 265 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 265 V C 2.565 178.716 176.094 0.094 0.000 1.055 265 V CA 2.504 64.873 62.300 0.115 0.000 1.065 265 V CB -1.197 30.747 31.823 0.202 0.000 0.681 265 V HN 1.038 nan 8.190 nan 0.000 0.462 266 T N -1.347 113.234 114.554 0.045 0.000 3.113 266 T HA 0.134 4.484 4.350 -0.000 0.000 0.263 266 T C 1.031 175.749 174.700 0.031 0.000 1.143 266 T CA 0.616 62.746 62.100 0.050 0.000 1.090 266 T CB -0.437 68.426 68.868 -0.008 0.000 0.922 266 T HN 0.482 nan 8.240 nan 0.000 0.521 267 G N 1.821 110.629 108.800 0.013 0.000 2.599 267 G HA2 0.473 4.433 3.960 -0.000 0.000 0.264 267 G HA3 0.473 4.433 3.960 -0.000 0.000 0.264 267 G C 0.010 174.895 174.900 -0.026 0.000 1.200 267 G CA -0.843 44.258 45.100 0.001 0.000 0.896 267 G HN 0.475 nan 8.290 nan 0.000 0.536 268 Q N -0.619 119.140 119.800 -0.067 0.000 2.396 268 Q HA 0.468 4.808 4.340 -0.000 0.000 0.221 268 Q C 0.064 175.951 176.000 -0.187 0.000 1.025 268 Q CA -0.098 55.610 55.803 -0.159 0.000 0.946 268 Q CB 0.959 29.576 28.738 -0.203 0.000 1.224 268 Q HN 0.681 nan 8.270 nan 0.000 0.539 269 M N -0.723 118.715 119.600 -0.271 0.000 2.470 269 M HA 0.577 5.057 4.480 -0.000 0.000 0.285 269 M C -1.668 174.449 176.300 -0.304 0.000 1.213 269 M CA -1.104 54.061 55.300 -0.226 0.000 0.901 269 M CB 1.677 34.226 32.600 -0.085 0.000 1.718 269 M HN 0.402 nan 8.290 nan 0.000 0.469 270 Y N 0.653 120.917 120.300 -0.060 0.000 2.419 270 Y HA 0.896 5.446 4.550 -0.000 0.000 0.328 270 Y C 0.092 175.920 175.900 -0.120 0.000 1.162 270 Y CA -0.670 57.343 58.100 -0.145 0.000 1.174 270 Y CB 1.934 40.235 38.460 -0.265 0.000 1.228 270 Y HN 0.931 nan 8.280 nan 0.000 0.473 271 A N 1.817 124.603 122.820 -0.058 0.000 2.520 271 A HA 0.768 5.088 4.320 -0.000 0.000 0.298 271 A C -1.869 175.612 177.584 -0.173 0.000 1.051 271 A CA -0.722 51.289 52.037 -0.042 0.000 0.690 271 A CB 0.664 19.623 19.000 -0.068 0.000 1.281 271 A HN 0.546 nan 8.150 nan 0.000 0.402 272 F N 0.880 120.874 119.950 0.073 0.000 2.399 272 F HA 0.615 5.142 4.527 0.000 0.000 0.334 272 F C 0.164 176.121 175.800 0.261 0.000 1.097 272 F CA -0.369 57.705 58.000 0.123 0.000 1.076 272 F CB 2.187 41.161 39.000 -0.043 0.000 1.162 272 F HN 0.267 nan 8.300 nan 0.000 0.495 273 V N 1.789 122.027 119.914 0.541 0.000 2.567 273 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 273 V C -0.548 175.591 176.094 0.074 0.000 1.047 273 V CA -1.325 61.171 62.300 0.326 0.000 0.880 273 V CB 1.517 33.426 31.823 0.144 0.000 1.009 273 V HN 0.821 nan 8.190 nan 0.000 0.429 274 S N 2.532 118.179 115.700 -0.087 0.000 2.552 274 S HA 0.083 4.553 4.470 -0.000 0.000 0.289 274 S C 1.144 175.770 174.600 0.043 0.000 1.304 274 S CA 0.268 58.173 58.200 -0.492 0.000 1.063 274 S CB 1.014 64.179 63.200 -0.057 0.000 0.848 274 S HN 1.316 nan 8.310 nan 0.000 0.499 275 S N 1.703 117.342 115.700 -0.102 0.000 2.575 275 S HA 0.512 4.982 4.470 -0.000 0.000 0.215 275 S C 0.807 175.452 174.600 0.075 0.000 0.966 275 S CA -0.041 58.231 58.200 0.121 0.000 0.911 275 S CB -0.491 62.735 63.200 0.042 0.000 0.780 275 S HN 1.445 nan 8.310 nan 0.000 0.514 276 G N 0.111 108.762 108.800 -0.248 0.000 2.427 276 G HA2 0.511 4.471 3.960 -0.000 0.000 0.306 276 G HA3 0.511 4.471 3.960 -0.000 0.000 0.306 276 G C -1.631 172.804 174.900 -0.775 0.000 1.280 276 G CA -0.363 44.306 45.100 -0.718 0.000 0.837 276 G HN 0.473 nan 8.290 nan 0.000 0.482 277 Y N -2.232 117.764 120.300 -0.506 0.000 2.889 277 Y HA 0.870 5.420 4.550 0.000 0.000 0.317 277 Y C -1.807 173.973 175.900 -0.201 0.000 1.414 277 Y CA -2.966 54.940 58.100 -0.325 0.000 1.091 277 Y CB 0.973 39.134 38.460 -0.499 0.000 1.358 277 Y HN 0.587 nan 8.280 nan 0.000 0.487 278 Y N 0.750 121.278 120.300 0.380 0.000 2.332 278 Y HA 0.567 5.117 4.550 -0.000 0.000 0.325 278 Y C -0.464 175.559 175.900 0.204 0.000 1.054 278 Y CA -1.235 57.057 58.100 0.321 0.000 1.119 278 Y CB 1.931 40.558 38.460 0.280 0.000 1.168 278 Y HN 0.641 nan 8.280 nan 0.000 0.439 279 R N 1.604 122.293 120.500 0.314 0.000 2.668 279 R HA 0.502 4.842 4.340 -0.000 0.000 0.279 279 R C -1.287 175.189 176.300 0.294 0.000 0.976 279 R CA -0.975 55.258 56.100 0.222 0.000 0.978 279 R CB 1.677 32.047 30.300 0.116 0.000 1.133 279 R HN 0.742 nan 8.270 nan 0.000 0.484 280 Y N 1.027 121.405 120.300 0.130 0.000 2.377 280 Y HA 0.130 4.680 4.550 -0.000 0.000 0.330 280 Y C -0.401 175.563 175.900 0.106 0.000 1.108 280 Y CA -0.191 57.981 58.100 0.121 0.000 1.308 280 Y CB 1.273 39.807 38.460 0.123 0.000 1.216 280 Y HN 0.676 nan 8.280 nan 0.000 0.518 281 S N 6.049 122.013 115.700 0.439 0.000 2.532 281 S HA 0.586 5.056 4.470 -0.000 0.000 0.256 281 S C -0.397 174.408 174.600 0.342 0.000 1.298 281 S CA -0.620 57.770 58.200 0.317 0.000 1.166 281 S CB -0.421 62.885 63.200 0.176 0.000 1.022 281 S HN 0.966 nan 8.310 nan 0.000 0.480 282 A N 3.540 126.626 122.820 0.442 0.000 2.615 282 A HA 0.220 4.540 4.320 -0.000 0.000 0.230 282 A C 0.797 178.506 177.584 0.208 0.000 1.062 282 A CA 0.323 52.598 52.037 0.396 0.000 0.758 282 A CB -0.382 18.744 19.000 0.210 0.000 0.995 282 A HN 0.738 nan 8.150 nan 0.000 0.511 283 T N 2.677 117.337 114.554 0.176 0.000 2.666 283 T HA 0.187 4.537 4.350 -0.000 0.000 0.265 283 T C 1.549 176.300 174.700 0.084 0.000 1.009 283 T CA 0.772 62.935 62.100 0.105 0.000 1.238 283 T CB -0.683 68.239 68.868 0.090 0.000 0.969 283 T HN 0.985 nan 8.240 nan 0.000 0.515 284 T N 1.697 116.294 114.554 0.071 0.000 4.593 284 T HA 0.055 4.405 4.350 -0.000 0.000 0.208 284 T C 1.744 176.471 174.700 0.045 0.000 0.748 284 T CA 0.481 62.615 62.100 0.057 0.000 2.311 284 T CB -0.228 68.671 68.868 0.052 0.000 1.788 284 T HN 0.388 nan 8.240 nan 0.000 0.291 285 S N 0.392 116.114 115.700 0.036 0.000 2.575 285 S HA 0.281 4.751 4.470 -0.000 0.000 0.230 285 S C 1.610 176.225 174.600 0.025 0.000 1.062 285 S CA -0.163 58.055 58.200 0.029 0.000 0.913 285 S CB 0.203 63.418 63.200 0.025 0.000 0.837 285 S HN 0.610 nan 8.310 nan 0.000 0.487 286 E N 1.357 121.572 120.200 0.025 0.000 2.329 286 E HA 0.266 4.616 4.350 -0.000 0.000 0.189 286 E C 0.523 177.136 176.600 0.021 0.000 0.997 286 E CA 0.094 56.506 56.400 0.020 0.000 1.062 286 E CB -0.349 29.361 29.700 0.017 0.000 1.260 286 E HN 0.108 nan 8.360 nan 0.000 0.490 287 S N 1.223 116.937 115.700 0.024 0.000 2.555 287 S HA 0.270 4.740 4.470 -0.000 0.000 0.293 287 S C 0.613 175.229 174.600 0.027 0.000 1.248 287 S CA -0.004 58.210 58.200 0.023 0.000 1.096 287 S CB -0.413 62.804 63.200 0.028 0.000 0.881 287 S HN 0.348 nan 8.310 nan 0.000 0.498 288 G N 3.540 112.352 108.800 0.019 0.000 2.661 288 G HA2 0.143 4.103 3.960 -0.000 0.000 0.272 288 G HA3 0.143 4.103 3.960 -0.000 0.000 0.272 288 G C 0.295 175.207 174.900 0.020 0.000 1.296 288 G CA -0.241 44.872 45.100 0.020 0.000 0.998 288 G HN 0.795 nan 8.290 nan 0.000 0.553 289 T N -1.000 113.566 114.554 0.020 0.000 2.939 289 T HA 0.365 4.715 4.350 -0.000 0.000 0.312 289 T C 0.513 175.173 174.700 -0.068 0.000 1.064 289 T CA 0.904 63.001 62.100 -0.005 0.000 1.136 289 T CB -0.304 68.547 68.868 -0.028 0.000 1.035 289 T HN 1.461 nan 8.240 nan 0.000 0.538 290 S N 3.887 119.532 115.700 -0.092 0.000 2.596 290 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 290 S C -1.529 173.021 174.600 -0.083 0.000 1.155 290 S CA -1.153 57.002 58.200 -0.076 0.000 0.827 290 S CB 1.477 64.682 63.200 0.007 0.000 1.130 290 S HN 0.646 nan 8.310 nan 0.000 0.467 291 L N 2.493 123.705 121.223 -0.019 0.000 2.301 291 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 291 L C -0.811 176.217 176.870 0.265 0.000 1.022 291 L CA -0.632 54.255 54.840 0.079 0.000 0.854 291 L CB 0.830 42.881 42.059 -0.012 0.000 1.226 291 L HN 0.717 nan 8.230 nan 0.000 0.429 292 V N 4.617 124.688 119.914 0.261 0.000 2.775 292 V HA 0.158 4.278 4.120 -0.000 0.000 0.299 292 V C -0.637 175.641 176.094 0.307 0.000 1.062 292 V CA -0.414 62.040 62.300 0.258 0.000 1.063 292 V CB 1.108 33.030 31.823 0.164 0.000 0.994 292 V HN 0.626 nan 8.190 nan 0.000 0.483 293 Y N 4.866 125.189 120.300 0.039 0.000 2.331 293 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 293 Y C -0.130 175.644 175.900 -0.210 0.000 0.960 293 Y CA -1.022 56.930 58.100 -0.247 0.000 1.130 293 Y CB 1.047 39.286 38.460 -0.368 0.000 1.164 293 Y HN 0.588 nan 8.280 nan 0.000 0.458 294 R N 3.768 123.714 120.500 -0.924 0.000 2.778 294 R HA 0.316 4.656 4.340 -0.000 0.000 0.277 294 R C -1.079 174.309 176.300 -1.519 0.000 0.977 294 R CA -0.965 54.589 56.100 -0.909 0.000 0.950 294 R CB 1.251 31.367 30.300 -0.307 0.000 1.165 294 R HN 0.717 nan 8.270 nan 0.000 0.474 295 D N 0.842 120.636 120.400 -1.010 0.000 2.341 295 D HA 0.024 4.664 4.640 -0.000 0.000 0.245 295 D C -0.573 175.458 176.300 -0.448 0.000 1.106 295 D CA 0.131 53.711 54.000 -0.700 0.000 0.905 295 D CB 0.725 41.342 40.800 -0.305 0.000 1.202 295 D HN 0.292 nan 8.370 nan 0.000 0.426 296 W N 3.039 124.129 121.300 -0.350 0.000 2.419 296 W HA 0.164 4.824 4.660 0.000 0.000 0.312 296 W C -1.470 174.989 176.519 -0.100 0.000 1.323 296 W CA -1.767 55.465 57.345 -0.188 0.000 1.293 296 W CB 0.835 30.241 29.460 -0.090 0.000 1.324 296 W HN 0.115 nan 8.180 nan 0.000 0.512 297 P HA -0.067 nan 4.420 nan 0.000 0.266 297 P C 0.134 177.501 177.300 0.112 0.000 1.419 297 P CA 0.554 63.732 63.100 0.130 0.000 1.112 297 P CB 1.104 32.868 31.700 0.106 0.000 1.438 298 V N 4.030 124.010 119.914 0.110 0.000 2.868 298 V HA 0.335 4.455 4.120 -0.000 0.000 0.227 298 V C 1.206 177.326 176.094 0.042 0.000 1.136 298 V CA 1.229 63.567 62.300 0.062 0.000 1.206 298 V CB -0.701 31.170 31.823 0.080 0.000 0.997 298 V HN 0.511 nan 8.190 nan 0.000 0.505 299 G N 0.861 109.684 108.800 0.038 0.000 2.134 299 G HA2 0.249 4.209 3.960 -0.000 0.000 0.253 299 G HA3 0.249 4.209 3.960 -0.000 0.000 0.253 299 G C 0.678 175.583 174.900 0.009 0.000 0.960 299 G CA 0.390 45.493 45.100 0.004 0.000 0.922 299 G HN 1.945 nan 8.290 nan 0.000 0.394 300 A N 0.701 123.511 122.820 -0.016 0.000 2.208 300 A HA 0.164 4.484 4.320 -0.000 0.000 0.277 300 A C 1.263 178.908 177.584 0.103 0.000 1.377 300 A CA 1.715 53.788 52.037 0.060 0.000 0.758 300 A CB -1.392 17.626 19.000 0.029 0.000 1.122 300 A HN 2.574 nan 8.150 nan 0.000 0.350 301 A N 2.035 124.909 122.820 0.090 0.000 3.434 301 A HA 0.901 5.221 4.320 -0.000 0.000 0.247 301 A C 0.239 177.869 177.584 0.078 0.000 1.075 301 A CA -0.445 51.641 52.037 0.081 0.000 0.737 301 A CB 0.383 19.422 19.000 0.064 0.000 1.412 301 A HN 0.782 nan 8.150 nan 0.000 0.691 302 M N 2.129 121.766 119.600 0.061 0.000 2.217 302 M HA 0.249 4.729 4.480 -0.000 0.000 0.354 302 M C -2.036 174.289 176.300 0.041 0.000 1.225 302 M CA -2.047 53.286 55.300 0.054 0.000 1.137 302 M CB 0.247 32.876 32.600 0.048 0.000 1.576 302 M HN 0.327 nan 8.290 nan 0.000 0.461 303 P HA 0.104 nan 4.420 nan 0.000 0.256 303 P C -0.703 176.611 177.300 0.023 0.000 1.688 303 P CA -0.315 62.804 63.100 0.032 0.000 1.162 303 P CB -0.673 31.057 31.700 0.050 0.000 1.870 304 R N 1.835 122.329 120.500 -0.009 0.000 2.478 304 R HA -0.086 4.254 4.340 -0.000 0.000 0.277 304 R C -0.321 175.977 176.300 -0.004 0.000 0.913 304 R CA 0.424 56.509 56.100 -0.026 0.000 1.125 304 R CB -0.232 30.002 30.300 -0.110 0.000 0.863 304 R HN 0.317 nan 8.270 nan 0.000 0.426 305 K N 2.585 122.997 120.400 0.021 0.000 2.168 305 K HA 0.070 4.390 4.320 -0.000 0.000 0.258 305 K C 1.224 177.828 176.600 0.007 0.000 1.010 305 K CA -0.594 55.722 56.287 0.048 0.000 0.929 305 K CB 0.633 33.183 32.500 0.083 0.000 0.998 305 K HN 0.515 nan 8.250 nan 0.000 0.479 306 L N 1.874 123.063 121.223 -0.056 0.000 2.093 306 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 306 L C 1.900 178.697 176.870 -0.122 0.000 1.085 306 L CA 1.288 55.990 54.840 -0.229 0.000 0.755 306 L CB -0.483 41.086 42.059 -0.818 0.000 0.904 306 L HN 0.752 nan 8.230 nan 0.000 0.435 307 N N 0.398 119.101 118.700 0.005 0.000 2.322 307 N HA -0.296 4.444 4.740 -0.000 0.000 0.189 307 N C 1.690 177.282 175.510 0.136 0.000 1.012 307 N CA 1.481 54.596 53.050 0.108 0.000 0.880 307 N CB -0.436 38.151 38.487 0.168 0.000 0.967 307 N HN 0.168 nan 8.380 nan 0.000 0.439 308 R N 0.296 120.861 120.500 0.108 0.000 2.127 308 R HA 0.248 4.588 4.340 -0.000 0.000 0.217 308 R C 1.900 178.300 176.300 0.168 0.000 1.074 308 R CA 0.679 56.851 56.100 0.121 0.000 0.991 308 R CB -0.460 29.881 30.300 0.069 0.000 0.895 308 R HN 0.343 nan 8.270 nan 0.000 0.450 309 L N -0.326 120.991 121.223 0.158 0.000 2.291 309 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 309 L C 1.341 178.363 176.870 0.253 0.000 1.120 309 L CA 0.775 55.736 54.840 0.201 0.000 0.799 309 L CB -0.231 41.907 42.059 0.133 0.000 0.925 309 L HN 0.176 nan 8.230 nan 0.000 0.446 310 F N -0.014 119.957 119.950 0.035 0.000 2.164 310 F HA -0.071 4.456 4.527 -0.000 0.000 0.287 310 F C 2.618 178.437 175.800 0.031 0.000 1.086 310 F CA 1.073 59.090 58.000 0.029 0.000 1.249 310 F CB -1.092 37.928 39.000 0.033 0.000 1.059 310 F HN -0.110 nan 8.300 nan 0.000 0.490 311 T N -0.243 114.466 114.554 0.258 0.000 2.896 311 T HA -0.185 4.165 4.350 -0.000 0.000 0.270 311 T C 2.124 176.880 174.700 0.093 0.000 1.104 311 T CA 1.299 63.487 62.100 0.148 0.000 1.115 311 T CB -0.541 68.405 68.868 0.130 0.000 0.843 311 T HN 0.169 nan 8.240 nan 0.000 0.523 312 V N 0.442 120.422 119.914 0.110 0.000 2.500 312 V HA 0.080 4.200 4.120 -0.000 0.000 0.243 312 V C 2.106 178.135 176.094 -0.108 0.000 1.039 312 V CA 0.832 63.136 62.300 0.006 0.000 1.053 312 V CB -0.225 31.687 31.823 0.148 0.000 0.695 312 V HN 0.339 nan 8.190 nan 0.000 0.463 313 L N 1.326 122.511 121.223 -0.063 0.000 2.042 313 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 313 L C 2.612 179.397 176.870 -0.141 0.000 1.076 313 L CA 2.682 57.435 54.840 -0.144 0.000 0.749 313 L CB -1.163 40.764 42.059 -0.219 0.000 0.893 313 L HN 0.469 nan 8.230 nan 0.000 0.432 314 R N -0.137 120.316 120.500 -0.079 0.000 2.122 314 R HA -0.271 4.069 4.340 -0.000 0.000 0.236 314 R C 2.158 178.415 176.300 -0.071 0.000 1.129 314 R CA 2.449 58.513 56.100 -0.060 0.000 0.925 314 R CB -0.626 29.673 30.300 -0.001 0.000 0.850 314 R HN 0.505 nan 8.270 nan 0.000 0.431 315 E N 0.305 120.467 120.200 -0.064 0.000 2.097 315 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 315 E C 2.169 178.720 176.600 -0.081 0.000 1.000 315 E CA 1.678 58.038 56.400 -0.066 0.000 0.804 315 E CB -0.172 29.476 29.700 -0.086 0.000 0.740 315 E HN 0.369 nan 8.360 nan 0.000 0.454 316 L N -0.003 121.138 121.223 -0.137 0.000 2.042 316 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 316 L C 2.085 178.921 176.870 -0.056 0.000 1.076 316 L CA 1.118 55.887 54.840 -0.117 0.000 0.749 316 L CB -0.049 41.910 42.059 -0.165 0.000 0.893 316 L HN 0.147 nan 8.230 nan 0.000 0.432 317 L N -1.415 119.744 121.223 -0.107 0.000 2.270 317 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 317 L C 2.162 179.081 176.870 0.080 0.000 1.104 317 L CA 0.895 55.679 54.840 -0.093 0.000 0.804 317 L CB -0.674 41.191 42.059 -0.324 0.000 0.937 317 L HN 0.237 nan 8.230 nan 0.000 0.450 318 D N 0.573 120.991 120.400 0.030 0.000 2.182 318 D HA -0.205 4.435 4.640 -0.000 0.000 0.201 318 D C 2.003 178.387 176.300 0.141 0.000 0.986 318 D CA 1.357 55.408 54.000 0.085 0.000 0.847 318 D CB 0.477 41.298 40.800 0.036 0.000 0.942 318 D HN 0.336 nan 8.370 nan 0.000 0.467 319 A N 1.307 124.182 122.820 0.091 0.000 1.832 319 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 319 A C 2.214 179.793 177.584 -0.010 0.000 1.204 319 A CA 1.143 53.217 52.037 0.061 0.000 0.606 319 A CB -0.675 18.387 19.000 0.105 0.000 0.849 319 A HN 0.252 nan 8.150 nan 0.000 0.445 320 I N -1.042 119.595 120.570 0.111 0.000 2.300 320 I HA -0.271 3.899 4.170 -0.000 0.000 0.252 320 I C 2.331 178.588 176.117 0.234 0.000 1.119 320 I CA 1.850 63.258 61.300 0.181 0.000 1.384 320 I CB -1.860 36.403 38.000 0.438 0.000 1.062 320 I HN 0.606 nan 8.210 nan 0.000 0.426 321 Y N 1.926 122.323 120.300 0.162 0.000 2.314 321 Y HA 0.155 4.705 4.550 0.000 0.000 0.294 321 Y C 2.516 178.392 175.900 -0.040 0.000 1.119 321 Y CA 1.144 59.298 58.100 0.089 0.000 1.179 321 Y CB -0.459 38.092 38.460 0.151 0.000 1.025 321 Y HN 0.093 nan 8.280 nan 0.000 0.541 322 G N -0.054 108.746 108.800 0.000 0.000 2.653 322 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 322 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 322 G C -0.231 174.551 174.900 -0.196 0.000 1.138 322 G CA 0.424 45.450 45.100 -0.124 0.000 0.782 322 G HN 0.372 nan 8.290 nan 0.000 0.535 323 D N -0.364 119.887 120.400 -0.249 0.000 2.312 323 D HA 0.509 5.149 4.640 -0.000 0.000 0.252 323 D C 1.565 177.782 176.300 -0.138 0.000 1.150 323 D CA 0.281 54.170 54.000 -0.184 0.000 0.870 323 D CB 1.266 41.933 40.800 -0.222 0.000 1.153 323 D HN -0.017 nan 8.370 nan 0.000 0.457 324 A N 4.207 126.972 122.820 -0.091 0.000 1.903 324 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 324 A C 1.746 179.280 177.584 -0.083 0.000 1.191 324 A CA 1.855 53.839 52.037 -0.087 0.000 0.638 324 A CB -0.414 18.560 19.000 -0.044 0.000 0.823 324 A HN 0.737 nan 8.150 nan 0.000 0.451 325 D N -0.305 120.068 120.400 -0.046 0.000 2.123 325 D HA 0.043 4.683 4.640 -0.000 0.000 0.200 325 D C 2.204 178.459 176.300 -0.074 0.000 0.976 325 D CA 1.151 55.106 54.000 -0.074 0.000 0.831 325 D CB -0.678 40.106 40.800 -0.027 0.000 0.974 325 D HN 0.442 nan 8.370 nan 0.000 0.469 326 A N 1.743 124.567 122.820 0.006 0.000 2.250 326 A HA -0.426 3.894 4.320 -0.000 0.000 0.259 326 A C 2.069 179.856 177.584 0.338 0.000 2.387 326 A CA 3.229 55.366 52.037 0.166 0.000 0.996 326 A CB -1.366 17.701 19.000 0.112 0.000 0.701 326 A HN 0.196 nan 8.150 nan 0.000 0.499 327 Q N -1.409 118.451 119.800 0.100 0.000 2.028 327 Q HA -0.227 4.113 4.340 -0.000 0.000 0.213 327 Q C 2.424 178.500 176.000 0.126 0.000 1.017 327 Q CA 3.183 58.955 55.803 -0.051 0.000 0.875 327 Q CB -1.261 27.330 28.738 -0.245 0.000 0.962 327 Q HN 1.001 nan 8.270 nan 0.000 0.413 328 T N -1.253 113.290 114.554 -0.019 0.000 2.869 328 T HA -0.219 4.131 4.350 -0.000 0.000 0.270 328 T C 1.609 176.267 174.700 -0.070 0.000 1.082 328 T CA 1.534 63.597 62.100 -0.061 0.000 1.123 328 T CB -0.153 68.637 68.868 -0.131 0.000 0.856 328 T HN 0.204 nan 8.240 nan 0.000 0.499 329 M N -0.534 119.036 119.600 -0.050 0.000 2.081 329 M HA 0.097 4.577 4.480 -0.000 0.000 0.261 329 M C 2.065 178.447 176.300 0.136 0.000 1.075 329 M CA 1.654 56.907 55.300 -0.079 0.000 1.133 329 M CB -0.513 32.033 32.600 -0.089 0.000 1.330 329 M HN 0.292 nan 8.290 nan 0.000 0.414 330 F N 0.586 120.572 119.950 0.060 0.000 2.063 330 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 330 F C 2.633 178.552 175.800 0.198 0.000 1.109 330 F CA 1.692 59.785 58.000 0.155 0.000 1.212 330 F CB -1.945 37.091 39.000 0.060 0.000 0.973 330 F HN 0.221 nan 8.300 nan 0.000 0.480 331 G N -0.294 108.681 108.800 0.291 0.000 2.529 331 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 331 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 331 G C 1.242 176.265 174.900 0.205 0.000 1.177 331 G CA 1.535 46.732 45.100 0.162 0.000 0.773 331 G HN 0.310 nan 8.290 nan 0.000 0.573 332 D N 0.107 120.611 120.400 0.173 0.000 2.182 332 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 332 D C 2.450 178.871 176.300 0.203 0.000 0.986 332 D CA 0.371 54.468 54.000 0.162 0.000 0.847 332 D CB -0.075 40.839 40.800 0.190 0.000 0.942 332 D HN 0.396 nan 8.370 nan 0.000 0.467 333 I N -0.514 120.229 120.570 0.289 0.000 2.233 333 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 333 I C 1.810 178.176 176.117 0.414 0.000 1.093 333 I CA 0.842 62.365 61.300 0.372 0.000 1.380 333 I CB -0.203 38.016 38.000 0.364 0.000 1.067 333 I HN 0.031 nan 8.210 nan 0.000 0.413 334 Y N 1.168 121.615 120.300 0.245 0.000 2.128 334 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 334 Y C 2.596 178.594 175.900 0.162 0.000 1.154 334 Y CA 1.740 59.969 58.100 0.215 0.000 1.149 334 Y CB -0.431 38.124 38.460 0.160 0.000 0.976 334 Y HN 0.044 nan 8.280 nan 0.000 0.505 335 K N -0.169 120.388 120.400 0.262 0.000 2.360 335 K HA -0.195 4.125 4.320 -0.000 0.000 0.201 335 K C 1.922 178.547 176.600 0.041 0.000 1.046 335 K CA 0.918 57.281 56.287 0.126 0.000 0.940 335 K CB -0.152 32.393 32.500 0.074 0.000 0.748 335 K HN 0.336 nan 8.250 nan 0.000 0.465 336 A N 0.282 123.123 122.820 0.035 0.000 1.862 336 A HA 0.157 4.477 4.320 -0.000 0.000 0.211 336 A C 0.391 177.916 177.584 -0.097 0.000 1.220 336 A CA 0.391 52.317 52.037 -0.184 0.000 0.616 336 A CB -0.057 18.744 19.000 -0.333 0.000 0.878 336 A HN 0.150 nan 8.150 nan 0.000 0.453 337 F N -0.408 119.665 119.950 0.205 0.000 2.425 337 F HA 0.612 5.139 4.527 0.000 0.000 0.331 337 F C 1.132 176.956 175.800 0.039 0.000 1.085 337 F CA -0.923 57.169 58.000 0.152 0.000 1.028 337 F CB 0.667 39.713 39.000 0.077 0.000 1.177 337 F HN 0.231 nan 8.300 nan 0.000 0.487 338 G N 0.181 109.109 108.800 0.212 0.000 2.653 338 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 338 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 338 G C 0.634 175.550 174.900 0.026 0.000 1.237 338 G CA -0.513 44.654 45.100 0.112 0.000 0.946 338 G HN 0.663 nan 8.290 nan 0.000 0.522 339 S N -0.214 115.502 115.700 0.028 0.000 2.419 339 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 339 S C 1.604 176.185 174.600 -0.030 0.000 1.019 339 S CA 1.273 59.461 58.200 -0.020 0.000 0.982 339 S CB -0.104 63.153 63.200 0.094 0.000 0.789 339 S HN 0.600 nan 8.310 nan 0.000 0.490 340 D N 0.883 121.286 120.400 0.005 0.000 2.363 340 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 340 D C 1.638 177.933 176.300 -0.009 0.000 0.994 340 D CA 0.507 54.507 54.000 0.000 0.000 0.890 340 D CB -0.154 40.657 40.800 0.018 0.000 0.906 340 D HN 0.511 nan 8.370 nan 0.000 0.530 341 G N -0.078 108.718 108.800 -0.007 0.000 3.126 341 G HA2 0.236 4.196 3.960 -0.000 0.000 0.224 341 G HA3 0.236 4.196 3.960 -0.000 0.000 0.224 341 G C 0.568 175.367 174.900 -0.169 0.000 1.142 341 G CA -0.167 44.919 45.100 -0.022 0.000 0.759 341 G HN 0.103 nan 8.290 nan 0.000 0.550 342 L N 0.165 121.295 121.223 -0.156 0.000 2.334 342 L HA 0.460 4.800 4.340 -0.000 0.000 0.276 342 L C -0.278 176.550 176.870 -0.069 0.000 1.014 342 L CA -1.371 53.372 54.840 -0.163 0.000 0.815 342 L CB 1.600 43.534 42.059 -0.209 0.000 1.268 342 L HN 0.047 nan 8.230 nan 0.000 0.428 343 Y N 1.953 122.160 120.300 -0.155 0.000 2.357 343 Y HA 0.327 4.877 4.550 -0.000 0.000 0.340 343 Y C 0.347 176.211 175.900 -0.060 0.000 1.260 343 Y CA 0.137 58.150 58.100 -0.145 0.000 1.425 343 Y CB 1.086 39.386 38.460 -0.268 0.000 1.326 343 Y HN 0.674 nan 8.280 nan 0.000 0.580 344 S N 4.415 119.728 115.700 -0.645 0.000 2.604 344 S HA 0.461 4.931 4.470 -0.000 0.000 0.296 344 S C -1.302 173.050 174.600 -0.413 0.000 1.097 344 S CA -1.064 56.990 58.200 -0.243 0.000 0.883 344 S CB -0.389 62.754 63.200 -0.095 0.000 1.081 344 S HN 0.777 nan 8.310 nan 0.000 0.448 345 I N 0.891 121.400 120.570 -0.103 0.000 2.488 345 I HA 0.846 5.016 4.170 -0.000 0.000 0.299 345 I C 0.600 176.714 176.117 -0.005 0.000 0.984 345 I CA -1.179 60.089 61.300 -0.052 0.000 1.250 345 I CB 1.087 39.111 38.000 0.040 0.000 1.389 345 I HN 0.876 nan 8.210 nan 0.000 0.488 346 A N 4.103 126.947 122.820 0.041 0.000 2.371 346 A HA 0.304 4.624 4.320 -0.000 0.000 0.257 346 A C 0.144 177.815 177.584 0.145 0.000 1.089 346 A CA -0.406 51.671 52.037 0.066 0.000 0.794 346 A CB 0.141 19.176 19.000 0.060 0.000 1.029 346 A HN 0.854 nan 8.150 nan 0.000 0.488 347 E N -0.017 120.264 120.200 0.134 0.000 2.392 347 E HA 0.449 4.799 4.350 -0.000 0.000 0.256 347 E C -0.237 176.473 176.600 0.183 0.000 1.145 347 E CA 0.023 56.547 56.400 0.206 0.000 0.929 347 E CB 0.824 30.608 29.700 0.139 0.000 0.998 347 E HN 0.626 nan 8.360 nan 0.000 0.442 348 I N -2.309 118.376 120.570 0.192 0.000 2.934 348 I HA 0.518 4.688 4.170 -0.000 0.000 0.306 348 I C -0.356 175.791 176.117 0.049 0.000 1.110 348 I CA -1.020 60.321 61.300 0.069 0.000 1.019 348 I CB 2.155 40.127 38.000 -0.047 0.000 1.227 348 I HN 0.408 nan 8.210 nan 0.000 0.434 349 S N 2.362 118.077 115.700 0.025 0.000 2.638 349 S HA 0.450 4.920 4.470 -0.000 0.000 0.298 349 S C 0.929 175.537 174.600 0.014 0.000 1.111 349 S CA -0.680 57.536 58.200 0.027 0.000 1.027 349 S CB 1.878 65.094 63.200 0.028 0.000 1.064 349 S HN 0.574 nan 8.310 nan 0.000 0.525 350 V N 1.027 120.954 119.914 0.022 0.000 2.439 350 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 350 V C 1.614 177.724 176.094 0.027 0.000 1.074 350 V CA 2.282 64.595 62.300 0.022 0.000 1.076 350 V CB -0.991 30.845 31.823 0.022 0.000 0.664 350 V HN 0.864 nan 8.190 nan 0.000 0.461 351 D N -0.698 119.717 120.400 0.025 0.000 2.333 351 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 351 D C 1.060 177.378 176.300 0.029 0.000 0.984 351 D CA 0.141 54.160 54.000 0.033 0.000 0.873 351 D CB -0.070 40.747 40.800 0.028 0.000 0.935 351 D HN 0.521 nan 8.370 nan 0.000 0.521 352 E N 1.059 121.265 120.200 0.011 0.000 2.558 352 E HA 0.008 4.358 4.350 -0.000 0.000 0.255 352 E C -0.865 175.727 176.600 -0.014 0.000 0.968 352 E CA 0.630 57.025 56.400 -0.008 0.000 0.939 352 E CB 0.305 29.988 29.700 -0.028 0.000 0.921 352 E HN -0.215 nan 8.360 nan 0.000 0.477 353 T N 4.074 118.611 114.554 -0.028 0.000 3.050 353 T HA 0.329 4.679 4.350 -0.000 0.000 0.310 353 T C -0.879 173.721 174.700 -0.167 0.000 0.978 353 T CA -0.700 61.374 62.100 -0.043 0.000 1.013 353 T CB 0.888 69.801 68.868 0.075 0.000 1.000 353 T HN 0.484 nan 8.240 nan 0.000 0.447 354 S N 2.557 118.010 115.700 -0.413 0.000 2.672 354 S HA 0.794 5.264 4.470 -0.000 0.000 0.276 354 S C 0.013 174.189 174.600 -0.707 0.000 1.207 354 S CA -0.720 57.133 58.200 -0.579 0.000 1.002 354 S CB 1.154 63.906 63.200 -0.748 0.000 0.998 354 S HN 0.515 nan 8.310 nan 0.000 0.542 355 T N 2.473 116.739 114.554 -0.479 0.000 2.912 355 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 355 T C -2.773 171.878 174.700 -0.082 0.000 1.030 355 T CA -1.293 60.556 62.100 -0.418 0.000 1.020 355 T CB 1.438 70.104 68.868 -0.337 0.000 1.056 355 T HN 0.420 nan 8.240 nan 0.000 0.480 356 P HA 0.265 nan 4.420 nan 0.000 0.269 356 P C -1.055 176.223 177.300 -0.038 0.000 1.209 356 P CA -0.289 62.817 63.100 0.009 0.000 0.776 356 P CB 0.446 32.148 31.700 0.004 0.000 0.876 357 V N 2.445 122.298 119.914 -0.102 0.000 2.815 357 V HA 0.417 4.537 4.120 -0.000 0.000 0.314 357 V C -0.492 175.653 176.094 0.086 0.000 1.064 357 V CA -0.552 61.721 62.300 -0.045 0.000 0.952 357 V CB 1.768 33.505 31.823 -0.143 0.000 1.020 357 V HN 0.338 nan 8.190 nan 0.000 0.439 358 F N 3.184 123.128 119.950 -0.009 0.000 2.300 358 F HA 0.465 4.992 4.527 0.000 0.000 0.364 358 F C -0.079 175.735 175.800 0.023 0.000 1.090 358 F CA -0.729 57.274 58.000 0.006 0.000 1.200 358 F CB 0.278 39.273 39.000 -0.008 0.000 1.493 358 F HN 0.576 nan 8.300 nan 0.000 0.518 359 D N 4.889 125.155 120.400 -0.223 0.000 2.373 359 D HA 0.162 4.802 4.640 -0.000 0.000 0.227 359 D C 1.102 177.096 176.300 -0.511 0.000 1.091 359 D CA -0.065 53.819 54.000 -0.193 0.000 0.840 359 D CB 1.771 42.679 40.800 0.180 0.000 1.060 359 D HN 0.355 nan 8.370 nan 0.000 0.502 360 V N 4.076 123.617 119.914 -0.622 0.000 2.255 360 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 360 V C 1.896 177.699 176.094 -0.484 0.000 1.051 360 V CA 1.573 63.446 62.300 -0.712 0.000 1.018 360 V CB -0.350 31.250 31.823 -0.371 0.000 0.641 360 V HN 0.567 nan 8.190 nan 0.000 0.445 361 D N 0.219 120.538 120.400 -0.135 0.000 2.106 361 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 361 D C 2.170 178.428 176.300 -0.069 0.000 0.997 361 D CA 1.534 55.587 54.000 0.089 0.000 0.834 361 D CB -0.262 40.645 40.800 0.179 0.000 0.956 361 D HN 0.288 nan 8.370 nan 0.000 0.448 362 I N 1.094 121.577 120.570 -0.145 0.000 2.163 362 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 362 I C 2.646 178.532 176.117 -0.386 0.000 1.085 362 I CA 0.802 61.943 61.300 -0.265 0.000 1.347 362 I CB -1.145 36.600 38.000 -0.425 0.000 1.044 362 I HN 0.091 nan 8.210 nan 0.000 0.408 363 L N 0.656 121.550 121.223 -0.549 0.000 1.989 363 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 363 L C 2.894 179.557 176.870 -0.346 0.000 1.071 363 L CA 1.713 56.155 54.840 -0.663 0.000 0.749 363 L CB -0.995 40.269 42.059 -1.325 0.000 0.890 363 L HN 0.213 nan 8.230 nan 0.000 0.431 364 A N -0.241 122.365 122.820 -0.358 0.000 1.892 364 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 364 A C 2.206 179.708 177.584 -0.136 0.000 1.188 364 A CA 1.930 53.867 52.037 -0.166 0.000 0.631 364 A CB -0.669 17.870 19.000 -0.768 0.000 0.822 364 A HN 0.530 nan 8.150 nan 0.000 0.447 365 Q N -0.604 119.136 119.800 -0.100 0.000 2.133 365 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 365 Q C 2.137 178.095 176.000 -0.070 0.000 0.991 365 Q CA 1.788 57.578 55.803 -0.023 0.000 0.867 365 Q CB -0.445 28.268 28.738 -0.041 0.000 0.911 365 Q HN 0.776 nan 8.270 nan 0.000 0.417 366 I N 0.518 120.992 120.570 -0.160 0.000 2.110 366 I HA -0.272 3.898 4.170 -0.000 0.000 0.236 366 I C 2.484 178.516 176.117 -0.141 0.000 1.068 366 I CA 1.243 62.414 61.300 -0.214 0.000 1.333 366 I CB -0.501 37.221 38.000 -0.463 0.000 1.054 366 I HN 0.293 nan 8.210 nan 0.000 0.402 367 E N 1.099 121.243 120.200 -0.094 0.000 2.197 367 E HA -0.295 4.055 4.350 -0.000 0.000 0.205 367 E C 1.791 178.352 176.600 -0.064 0.000 1.029 367 E CA 1.751 58.109 56.400 -0.070 0.000 0.828 367 E CB -0.002 29.698 29.700 -0.000 0.000 0.737 367 E HN 0.487 nan 8.360 nan 0.000 0.464 368 N N 0.254 118.935 118.700 -0.031 0.000 2.368 368 N HA -0.038 4.702 4.740 -0.000 0.000 0.176 368 N C 1.367 176.898 175.510 0.036 0.000 1.021 368 N CA 0.678 53.737 53.050 0.015 0.000 0.888 368 N CB -0.390 38.123 38.487 0.044 0.000 0.995 368 N HN 0.330 nan 8.380 nan 0.000 0.437 369 C N 1.584 120.887 119.300 0.006 0.000 2.991 369 C HA 0.048 4.508 4.460 -0.000 0.000 0.369 369 C C 0.627 175.633 174.990 0.027 0.000 1.260 369 C CA -0.318 58.704 59.018 0.007 0.000 1.826 369 C CB -0.711 27.015 27.740 -0.024 0.000 2.487 369 C HN 0.253 nan 8.230 nan 0.000 0.715 370 T N 2.543 117.103 114.554 0.009 0.000 2.879 370 T HA 0.526 4.876 4.350 -0.000 0.000 0.290 370 T C -0.340 174.344 174.700 -0.026 0.000 0.993 370 T CA -0.218 61.879 62.100 -0.006 0.000 0.975 370 T CB 0.862 69.709 68.868 -0.035 0.000 0.981 370 T HN 0.569 nan 8.240 nan 0.000 0.439 371 I N 4.326 124.879 120.570 -0.028 0.000 2.371 371 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 371 I C 1.300 177.308 176.117 -0.181 0.000 1.028 371 I CA -0.605 60.650 61.300 -0.074 0.000 1.345 371 I CB 0.924 38.908 38.000 -0.027 0.000 1.407 371 I HN 0.567 nan 8.210 nan 0.000 0.501 372 L N 6.508 127.593 121.223 -0.230 0.000 1.961 372 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 372 L C 1.292 177.694 176.870 -0.780 0.000 1.072 372 L CA 1.759 56.393 54.840 -0.344 0.000 0.749 372 L CB -0.354 41.569 42.059 -0.226 0.000 0.889 372 L HN 0.575 nan 8.230 nan 0.000 0.432 373 E N 0.220 119.823 120.200 -0.995 0.000 2.053 373 E HA 0.057 4.407 4.350 -0.000 0.000 0.297 373 E C 1.507 177.552 176.600 -0.925 0.000 1.173 373 E CA 0.276 55.552 56.400 -1.874 0.000 1.219 373 E CB -0.003 28.953 29.700 -1.239 0.000 1.103 373 E HN 0.524 nan 8.360 nan 0.000 0.476 374 A N 3.248 125.681 122.820 -0.645 0.000 2.093 374 A HA -0.201 4.119 4.320 -0.000 0.000 0.222 374 A C 1.094 178.700 177.584 0.036 0.000 1.162 374 A CA 1.197 53.168 52.037 -0.110 0.000 0.655 374 A CB -0.003 19.032 19.000 0.058 0.000 0.805 374 A HN 0.471 nan 8.150 nan 0.000 0.461 375 N N -2.367 116.431 118.700 0.163 0.000 2.616 375 N HA 0.339 5.079 4.740 -0.000 0.000 0.281 375 N C 0.152 175.802 175.510 0.233 0.000 1.145 375 N CA 0.404 53.550 53.050 0.161 0.000 0.919 375 N CB 1.313 39.905 38.487 0.176 0.000 1.509 375 N HN 0.044 nan 8.380 nan 0.000 0.537 376 A N 2.220 125.078 122.820 0.063 0.000 2.234 376 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 376 A C 1.803 179.373 177.584 -0.023 0.000 1.167 376 A CA 1.718 53.730 52.037 -0.042 0.000 0.698 376 A CB -0.501 18.288 19.000 -0.353 0.000 0.779 376 A HN 0.701 nan 8.150 nan 0.000 0.475 377 G N -0.606 108.222 108.800 0.048 0.000 2.471 377 G HA2 0.119 4.079 3.960 -0.000 0.000 0.219 377 G HA3 0.119 4.079 3.960 -0.000 0.000 0.219 377 G C 0.727 175.659 174.900 0.053 0.000 1.125 377 G CA 0.422 45.543 45.100 0.034 0.000 0.775 377 G HN 0.455 nan 8.290 nan 0.000 0.548 378 L N -0.463 120.831 121.223 0.119 0.000 2.416 378 L HA 0.697 5.037 4.340 -0.000 0.000 0.263 378 L C 0.210 177.104 176.870 0.040 0.000 1.065 378 L CA -1.110 53.733 54.840 0.006 0.000 0.798 378 L CB 1.558 43.509 42.059 -0.180 0.000 1.267 378 L HN 0.007 nan 8.230 nan 0.000 0.467 379 A N 0.114 122.867 122.820 -0.112 0.000 2.271 379 A HA 0.587 4.907 4.320 -0.000 0.000 0.317 379 A C -1.625 175.899 177.584 -0.100 0.000 1.245 379 A CA -0.356 51.683 52.037 0.003 0.000 0.857 379 A CB 0.151 19.151 19.000 -0.001 0.000 1.175 379 A HN 0.553 nan 8.150 nan 0.000 0.512 380 W N 0.741 122.074 121.300 0.055 0.000 2.578 380 W HA 0.731 5.391 4.660 -0.000 0.000 0.353 380 W C 0.571 177.143 176.519 0.087 0.000 1.088 380 W CA -0.202 57.202 57.345 0.099 0.000 1.235 380 W CB 1.943 31.463 29.460 0.100 0.000 1.362 380 W HN 0.602 nan 8.180 nan 0.000 0.592 381 T N 1.526 116.284 114.554 0.341 0.000 2.865 381 T HA 0.773 5.123 4.350 -0.000 0.000 0.294 381 T C -2.159 172.641 174.700 0.167 0.000 1.119 381 T CA -0.552 61.658 62.100 0.182 0.000 1.007 381 T CB 0.984 69.895 68.868 0.071 0.000 1.225 381 T HN 0.201 nan 8.240 nan 0.000 0.515 382 L N 2.832 124.102 121.223 0.077 0.000 2.639 382 L HA 0.534 4.874 4.340 -0.000 0.000 0.264 382 L C -1.350 175.519 176.870 -0.001 0.000 0.948 382 L CA -0.331 54.532 54.840 0.039 0.000 0.912 382 L CB 1.893 44.011 42.059 0.098 0.000 1.294 382 L HN 0.710 nan 8.230 nan 0.000 0.412 383 D N 1.398 121.759 120.400 -0.066 0.000 2.714 383 D HA 0.495 5.135 4.640 -0.000 0.000 0.278 383 D C -0.139 176.106 176.300 -0.091 0.000 1.102 383 D CA -0.378 53.587 54.000 -0.058 0.000 1.108 383 D CB 1.885 42.642 40.800 -0.071 0.000 1.444 383 D HN 0.336 nan 8.370 nan 0.000 0.568 384 S N -0.666 114.995 115.700 -0.066 0.000 3.581 384 S HA -0.186 4.284 4.470 -0.000 0.000 0.354 384 S C 1.045 175.568 174.600 -0.128 0.000 1.059 384 S CA 0.194 58.346 58.200 -0.081 0.000 1.060 384 S CB -1.817 61.314 63.200 -0.115 0.000 0.908 384 S HN 0.506 nan 8.310 nan 0.000 0.475 385 C N 1.530 120.794 119.300 -0.061 0.000 2.576 385 C HA 0.097 4.557 4.460 -0.000 0.000 0.267 385 C C 1.582 176.689 174.990 0.195 0.000 1.364 385 C CA -0.596 58.356 59.018 -0.110 0.000 1.723 385 C CB -1.261 26.504 27.740 0.043 0.000 1.778 385 C HN 0.641 nan 8.230 nan 0.000 0.572 386 N N 0.666 119.496 118.700 0.217 0.000 2.288 386 N HA 0.198 4.938 4.740 -0.000 0.000 0.237 386 N C -0.493 175.245 175.510 0.381 0.000 1.311 386 N CA 0.338 53.585 53.050 0.328 0.000 0.909 386 N CB 0.536 39.138 38.487 0.190 0.000 1.167 386 N HN -0.028 nan 8.380 nan 0.000 0.476 387 V N 0.728 120.830 119.914 0.313 0.000 2.376 387 V HA 0.297 4.417 4.120 -0.000 0.000 0.287 387 V C 0.065 176.197 176.094 0.063 0.000 1.015 387 V CA -0.512 61.905 62.300 0.195 0.000 0.834 387 V CB 1.106 32.933 31.823 0.006 0.000 1.001 387 V HN 0.826 nan 8.190 nan 0.000 0.428 388 T N 2.414 117.000 114.554 0.052 0.000 2.919 388 T HA 0.752 5.102 4.350 -0.000 0.000 0.282 388 T C -0.579 174.112 174.700 -0.016 0.000 1.020 388 T CA -0.913 61.194 62.100 0.012 0.000 0.994 388 T CB 1.868 70.750 68.868 0.023 0.000 1.180 388 T HN 0.663 nan 8.240 nan 0.000 0.566 389 Q N 0.059 119.846 119.800 -0.022 0.000 2.330 389 Q HA 0.603 4.943 4.340 -0.000 0.000 0.269 389 Q C -0.341 175.648 176.000 -0.019 0.000 1.022 389 Q CA -0.921 54.864 55.803 -0.031 0.000 0.796 389 Q CB 1.681 30.393 28.738 -0.043 0.000 1.271 389 Q HN 0.741 nan 8.270 nan 0.000 0.450 390 S N 2.187 117.876 115.700 -0.019 0.000 2.584 390 S HA 0.050 4.520 4.470 -0.000 0.000 0.270 390 S C 0.946 175.536 174.600 -0.017 0.000 1.346 390 S CA 0.000 58.191 58.200 -0.015 0.000 1.018 390 S CB 0.749 63.941 63.200 -0.015 0.000 0.899 390 S HN 0.854 nan 8.310 nan 0.000 0.542 391 K N 1.694 122.087 120.400 -0.013 0.000 2.189 391 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 391 K C 1.207 177.796 176.600 -0.018 0.000 1.046 391 K CA 1.639 57.919 56.287 -0.012 0.000 0.928 391 K CB -0.966 31.528 32.500 -0.010 0.000 0.720 391 K HN 0.679 nan 8.250 nan 0.000 0.458 392 G N 0.818 109.606 108.800 -0.021 0.000 4.125 392 G HA2 0.083 4.043 3.960 -0.000 0.000 0.301 392 G HA3 0.083 4.043 3.960 -0.000 0.000 0.301 392 G C -0.458 174.421 174.900 -0.035 0.000 1.273 392 G CA -0.474 44.609 45.100 -0.027 0.000 1.095 392 G HN 0.335 nan 8.290 nan 0.000 0.582 393 Q N -1.633 118.145 119.800 -0.038 0.000 2.439 393 Q HA -0.186 4.154 4.340 -0.000 0.000 0.247 393 Q C 0.024 175.996 176.000 -0.046 0.000 0.899 393 Q CA 0.595 56.369 55.803 -0.048 0.000 1.201 393 Q CB -1.571 27.128 28.738 -0.065 0.000 1.608 393 Q HN 0.411 nan 8.270 nan 0.000 0.563 394 V N 1.309 121.200 119.914 -0.037 0.000 2.432 394 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 394 V C 0.696 176.768 176.094 -0.037 0.000 1.043 394 V CA -0.446 61.833 62.300 -0.035 0.000 0.925 394 V CB 1.337 33.144 31.823 -0.026 0.000 0.985 394 V HN 0.181 nan 8.190 nan 0.000 0.466 395 L N 6.275 127.468 121.223 -0.051 0.000 2.418 395 L HA 0.336 4.676 4.340 -0.000 0.000 0.274 395 L C -0.369 176.485 176.870 -0.027 0.000 1.135 395 L CA 0.214 55.014 54.840 -0.067 0.000 0.870 395 L CB 0.216 42.200 42.059 -0.125 0.000 1.154 395 L HN 0.468 nan 8.230 nan 0.000 0.462 396 L N 4.443 125.670 121.223 0.008 0.000 2.346 396 L HA 0.608 4.948 4.340 -0.000 0.000 0.276 396 L C -0.786 176.191 176.870 0.179 0.000 1.006 396 L CA -0.576 54.306 54.840 0.070 0.000 0.817 396 L CB 2.026 44.110 42.059 0.042 0.000 1.272 396 L HN 0.646 nan 8.230 nan 0.000 0.421 397 W N 4.804 126.096 121.300 -0.015 0.000 3.615 397 W HA 0.476 5.136 4.660 -0.000 0.000 0.319 397 W C -2.320 174.226 176.519 0.045 0.000 1.172 397 W CA -0.525 56.840 57.345 0.032 0.000 1.240 397 W CB 1.739 31.242 29.460 0.071 0.000 1.313 397 W HN 0.742 nan 8.180 nan 0.000 0.487 398 Q N 7.490 126.995 119.800 -0.491 0.000 2.597 398 Q HA 0.186 4.526 4.340 -0.000 0.000 0.227 398 Q C -2.770 172.929 176.000 -0.501 0.000 0.803 398 Q CA -0.959 54.572 55.803 -0.454 0.000 1.030 398 Q CB 2.601 31.253 28.738 -0.143 0.000 1.559 398 Q HN 0.221 nan 8.270 nan 0.000 0.481 399 P HA 0.149 nan 4.420 nan 0.000 0.279 399 P C -0.699 176.459 177.300 -0.238 0.000 1.239 399 P CA 0.100 62.941 63.100 -0.432 0.000 0.789 399 P CB 1.316 32.740 31.700 -0.459 0.000 0.933 400 T N -0.290 114.115 114.554 -0.249 0.000 2.908 400 T HA 0.798 5.148 4.350 -0.000 0.000 0.290 400 T C 0.084 174.480 174.700 -0.507 0.000 1.034 400 T CA -0.805 61.085 62.100 -0.349 0.000 1.010 400 T CB 1.992 70.695 68.868 -0.275 0.000 1.068 400 T HN 0.517 nan 8.240 nan 0.000 0.481 401 G N 0.241 108.344 108.800 -1.162 0.000 2.866 401 G HA2 0.757 4.717 3.960 -0.000 0.000 0.289 401 G HA3 0.757 4.717 3.960 -0.000 0.000 0.289 401 G C -0.921 173.432 174.900 -0.911 0.000 1.396 401 G CA -0.665 43.818 45.100 -1.029 0.000 0.848 401 G HN 1.213 nan 8.290 nan 0.000 0.515 402 T N -1.694 112.730 114.554 -0.218 0.000 2.928 402 T HA 0.650 5.000 4.350 -0.000 0.000 0.296 402 T C -0.775 173.976 174.700 0.084 0.000 1.000 402 T CA -0.524 61.558 62.100 -0.030 0.000 0.989 402 T CB 1.172 70.001 68.868 -0.065 0.000 1.005 402 T HN 0.431 nan 8.240 nan 0.000 0.442 403 I N 3.605 124.204 120.570 0.049 0.000 2.321 403 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 403 I C 0.571 176.577 176.117 -0.184 0.000 0.998 403 I CA -0.458 60.700 61.300 -0.236 0.000 1.227 403 I CB 1.734 39.523 38.000 -0.352 0.000 1.368 403 I HN 0.909 nan 8.210 nan 0.000 0.466 404 T N 3.169 117.595 114.554 -0.213 0.000 2.883 404 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 404 T C -0.522 174.111 174.700 -0.112 0.000 1.117 404 T CA -0.539 61.489 62.100 -0.120 0.000 1.006 404 T CB 1.963 70.787 68.868 -0.075 0.000 1.191 404 T HN 0.473 nan 8.240 nan 0.000 0.508 405 S N 0.758 116.428 115.700 -0.050 0.000 2.565 405 S HA 0.279 4.749 4.470 -0.000 0.000 0.276 405 S C 1.620 176.217 174.600 -0.006 0.000 1.326 405 S CA 0.105 58.290 58.200 -0.025 0.000 1.045 405 S CB 0.350 63.553 63.200 0.005 0.000 0.918 405 S HN 0.982 nan 8.310 nan 0.000 0.505 406 S N 3.022 118.723 115.700 0.002 0.000 2.584 406 S HA -0.062 4.408 4.470 -0.000 0.000 0.240 406 S C 0.723 175.339 174.600 0.027 0.000 0.975 406 S CA 0.756 58.966 58.200 0.017 0.000 0.949 406 S CB -0.232 62.980 63.200 0.021 0.000 0.761 406 S HN 0.766 nan 8.310 nan 0.000 0.536 407 D N 1.802 122.219 120.400 0.029 0.000 2.845 407 D HA 0.085 4.725 4.640 -0.000 0.000 0.272 407 D C 0.067 176.396 176.300 0.048 0.000 1.275 407 D CA 0.354 54.375 54.000 0.036 0.000 1.029 407 D CB -0.298 40.521 40.800 0.031 0.000 1.131 407 D HN 0.267 nan 8.370 nan 0.000 0.423 408 N N 1.987 120.729 118.700 0.070 0.000 2.807 408 N HA 0.062 4.802 4.740 -0.000 0.000 0.259 408 N C 0.250 175.811 175.510 0.085 0.000 1.149 408 N CA 0.157 53.282 53.050 0.126 0.000 1.042 408 N CB 0.999 39.641 38.487 0.258 0.000 1.367 408 N HN 0.012 nan 8.380 nan 0.000 0.516 409 T N 0.005 114.581 114.554 0.037 0.000 3.070 409 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 409 T C 1.422 176.094 174.700 -0.046 0.000 1.175 409 T CA 1.306 63.407 62.100 0.001 0.000 1.073 409 T CB 0.217 69.088 68.868 0.006 0.000 0.840 409 T HN 0.390 nan 8.240 nan 0.000 0.576 410 E N -0.739 119.404 120.200 -0.095 0.000 2.399 410 E HA 0.156 4.506 4.350 -0.000 0.000 0.205 410 E C 0.314 176.677 176.600 -0.396 0.000 0.906 410 E CA 0.309 56.545 56.400 -0.274 0.000 0.998 410 E CB 0.468 29.928 29.700 -0.400 0.000 1.002 410 E HN 0.661 nan 8.360 nan 0.000 0.501 411 H N -1.667 117.389 119.070 -0.024 0.000 2.810 411 H HA 0.384 4.940 4.556 0.000 0.000 0.316 411 H C 0.295 175.599 175.328 -0.040 0.000 1.426 411 H CA -0.502 55.528 56.048 -0.030 0.000 1.413 411 H CB 1.102 30.849 29.762 -0.025 0.000 1.874 411 H HN -0.012 nan 8.280 nan 0.000 0.737 412 I N -0.677 119.954 120.570 0.102 0.000 3.883 412 I HA 0.419 4.589 4.170 -0.000 0.000 0.305 412 I C 1.179 177.303 176.117 0.013 0.000 1.247 412 I CA 1.042 62.352 61.300 0.015 0.000 1.350 412 I CB -0.545 37.439 38.000 -0.026 0.000 1.194 412 I HN 0.865 nan 8.210 nan 0.000 0.441 413 A N 0.675 123.508 122.820 0.022 0.000 5.578 413 A HA -0.276 4.044 4.320 -0.000 0.000 0.312 413 A C 1.631 179.204 177.584 -0.018 0.000 1.861 413 A CA 1.205 53.236 52.037 -0.010 0.000 0.719 413 A CB -2.320 16.672 19.000 -0.013 0.000 1.323 413 A HN 0.965 nan 8.150 nan 0.000 0.387 414 G N -0.462 108.334 108.800 -0.005 0.000 3.234 414 G HA2 0.395 4.355 3.960 -0.000 0.000 0.221 414 G HA3 0.395 4.355 3.960 -0.000 0.000 0.221 414 G C -0.107 174.812 174.900 0.031 0.000 1.229 414 G CA 1.170 46.275 45.100 0.008 0.000 0.909 414 G HN 0.719 nan 8.290 nan 0.000 0.510 415 D N -0.327 120.078 120.400 0.008 0.000 2.385 415 D HA 0.554 5.194 4.640 -0.000 0.000 0.254 415 D C 0.087 176.368 176.300 -0.032 0.000 1.053 415 D CA -0.361 53.651 54.000 0.021 0.000 0.992 415 D CB 1.798 42.604 40.800 0.009 0.000 1.145 415 D HN -0.015 nan 8.370 nan 0.000 0.523 416 I N 0.841 121.400 120.570 -0.019 0.000 2.389 416 I HA 0.490 4.660 4.170 -0.000 0.000 0.288 416 I C -0.010 176.078 176.117 -0.047 0.000 0.999 416 I CA -0.998 60.268 61.300 -0.057 0.000 1.129 416 I CB 1.743 39.714 38.000 -0.049 0.000 1.288 416 I HN 0.253 nan 8.210 nan 0.000 0.444 417 A N 6.257 129.024 122.820 -0.088 0.000 2.340 417 A HA 0.756 5.076 4.320 -0.000 0.000 0.268 417 A C -0.209 177.435 177.584 0.100 0.000 1.100 417 A CA -0.332 51.679 52.037 -0.042 0.000 0.803 417 A CB 0.912 19.860 19.000 -0.088 0.000 1.043 417 A HN 0.758 nan 8.150 nan 0.000 0.488 418 V N -1.871 118.176 119.914 0.223 0.000 3.087 418 V HA 0.992 5.112 4.120 -0.000 0.000 0.306 418 V C -0.495 175.732 176.094 0.221 0.000 1.187 418 V CA -0.120 62.334 62.300 0.256 0.000 0.999 418 V CB 1.313 33.228 31.823 0.153 0.000 1.049 418 V HN 2.408 nan 8.190 nan 0.000 0.431 419 A N 3.968 126.843 122.820 0.092 0.000 2.582 419 A HA 0.744 5.064 4.320 -0.000 0.000 0.297 419 A C -1.036 176.484 177.584 -0.107 0.000 1.059 419 A CA -0.343 51.635 52.037 -0.098 0.000 0.705 419 A CB 1.450 20.224 19.000 -0.376 0.000 1.279 419 A HN 2.360 nan 8.150 nan 0.000 0.404 420 L N 1.103 122.225 121.223 -0.168 0.000 2.343 420 L HA 0.961 5.301 4.340 -0.000 0.000 0.275 420 L C 0.538 177.307 176.870 -0.168 0.000 1.056 420 L CA -0.149 54.567 54.840 -0.206 0.000 0.804 420 L CB 1.345 43.164 42.059 -0.400 0.000 1.203 420 L HN 0.796 nan 8.230 nan 0.000 0.440 421 G N 1.192 109.916 108.800 -0.126 0.000 3.387 421 G HA2 0.107 4.067 3.960 -0.000 0.000 0.195 421 G HA3 0.107 4.067 3.960 -0.000 0.000 0.195 421 G C -0.446 174.406 174.900 -0.080 0.000 1.853 421 G CA -0.468 44.583 45.100 -0.082 0.000 0.879 421 G HN 0.742 nan 8.290 nan 0.000 0.651 422 D N 2.086 122.460 120.400 -0.042 0.000 2.536 422 D HA 0.050 4.690 4.640 -0.000 0.000 0.260 422 D C 0.865 177.147 176.300 -0.029 0.000 1.270 422 D CA 0.674 54.663 54.000 -0.019 0.000 0.934 422 D CB 0.342 41.145 40.800 0.005 0.000 1.129 422 D HN 0.416 nan 8.370 nan 0.000 0.533 423 R N 0.494 120.983 120.500 -0.018 0.000 2.893 423 R HA 0.675 5.015 4.340 -0.000 0.000 0.245 423 R C -0.660 175.723 176.300 0.138 0.000 1.192 423 R CA -0.945 55.166 56.100 0.019 0.000 1.077 423 R CB 0.977 31.243 30.300 -0.056 0.000 1.253 423 R HN 0.165 nan 8.270 nan 0.000 0.505 424 V N 0.846 120.928 119.914 0.279 0.000 2.863 424 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 424 V C -1.041 175.126 176.094 0.123 0.000 1.061 424 V CA -0.896 61.508 62.300 0.174 0.000 1.024 424 V CB 1.496 33.391 31.823 0.119 0.000 1.049 424 V HN 0.618 nan 8.190 nan 0.000 0.471 425 L N 4.959 126.227 121.223 0.074 0.000 2.441 425 L HA 0.606 4.946 4.340 -0.000 0.000 0.270 425 L C -0.956 175.934 176.870 0.035 0.000 0.973 425 L CA -0.143 54.741 54.840 0.073 0.000 0.842 425 L CB 1.570 43.689 42.059 0.100 0.000 1.239 425 L HN 0.761 nan 8.230 nan 0.000 0.406 426 N N 2.232 120.924 118.700 -0.013 0.000 2.417 426 N HA 0.533 5.273 4.740 -0.000 0.000 0.274 426 N C -1.244 174.185 175.510 -0.134 0.000 0.987 426 N CA -0.113 52.879 53.050 -0.097 0.000 0.912 426 N CB 1.609 39.983 38.487 -0.187 0.000 1.177 426 N HN 0.563 nan 8.380 nan 0.000 0.490 427 S N 2.511 118.156 115.700 -0.092 0.000 2.508 427 S HA 0.226 4.696 4.470 -0.000 0.000 0.284 427 S C 0.159 174.635 174.600 -0.206 0.000 1.192 427 S CA -0.465 57.695 58.200 -0.067 0.000 1.070 427 S CB 0.446 63.812 63.200 0.275 0.000 1.004 427 S HN 0.664 nan 8.310 nan 0.000 0.493 428 H N 4.102 123.019 119.070 -0.256 0.000 2.519 428 H HA 0.396 4.952 4.556 -0.000 0.000 0.289 428 H C -0.416 174.933 175.328 0.035 0.000 1.040 428 H CA 0.261 56.225 56.048 -0.140 0.000 1.165 428 H CB 0.139 29.807 29.762 -0.156 0.000 1.462 428 H HN 0.475 nan 8.280 nan 0.000 0.555 429 I N 1.050 121.733 120.570 0.188 0.000 2.466 429 I HA -0.044 4.126 4.170 -0.000 0.000 0.289 429 I C 0.971 177.172 176.117 0.141 0.000 1.026 429 I CA -0.557 60.870 61.300 0.212 0.000 1.078 429 I CB 2.352 40.547 38.000 0.325 0.000 1.249 429 I HN -0.001 nan 8.210 nan 0.000 0.429 430 M N 4.415 124.071 119.600 0.093 0.000 2.115 430 M HA -0.134 4.346 4.480 -0.000 0.000 0.258 430 M C 0.741 177.082 176.300 0.068 0.000 1.071 430 M CA 2.096 57.433 55.300 0.062 0.000 1.100 430 M CB -0.151 32.478 32.600 0.048 0.000 1.292 430 M HN 0.351 nan 8.290 nan 0.000 0.415 431 E N 2.284 122.526 120.200 0.069 0.000 2.026 431 E HA 0.301 4.651 4.350 -0.000 0.000 0.253 431 E C -2.232 174.404 176.600 0.060 0.000 1.056 431 E CA -1.545 54.888 56.400 0.056 0.000 0.927 431 E CB -0.184 29.541 29.700 0.040 0.000 1.172 431 E HN 0.450 nan 8.360 nan 0.000 0.445 432 P HA 0.174 nan 4.420 nan 0.000 0.276 432 P C -0.498 176.791 177.300 -0.019 0.000 1.261 432 P CA -0.404 62.730 63.100 0.057 0.000 0.800 432 P CB 1.427 33.217 31.700 0.150 0.000 1.066 433 Q N -1.092 118.634 119.800 -0.123 0.000 2.416 433 Q HA 0.190 4.530 4.340 -0.000 0.000 0.281 433 Q C 0.876 176.750 176.000 -0.210 0.000 1.067 433 Q CA -0.734 54.989 55.803 -0.135 0.000 0.809 433 Q CB 1.276 29.895 28.738 -0.198 0.000 1.418 433 Q HN 0.481 nan 8.270 nan 0.000 0.411 434 Y N 0.737 120.989 120.300 -0.081 0.000 2.133 434 Y HA -0.318 4.232 4.550 -0.000 0.000 0.279 434 Y C 1.968 177.791 175.900 -0.128 0.000 1.209 434 Y CA 2.253 60.305 58.100 -0.081 0.000 1.152 434 Y CB -1.085 37.344 38.460 -0.052 0.000 0.961 434 Y HN 0.553 nan 8.280 nan 0.000 0.512 435 S N 0.434 115.542 115.700 -0.987 0.000 2.365 435 S HA -0.279 4.191 4.470 -0.000 0.000 0.221 435 S C 1.809 176.104 174.600 -0.508 0.000 1.037 435 S CA 1.941 59.704 58.200 -0.728 0.000 1.060 435 S CB -0.800 61.928 63.200 -0.785 0.000 0.974 435 S HN 0.711 nan 8.310 nan 0.000 0.427 436 D N 0.597 120.614 120.400 -0.639 0.000 2.182 436 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 436 D C 2.139 177.894 176.300 -0.910 0.000 0.986 436 D CA 1.179 54.546 54.000 -1.055 0.000 0.847 436 D CB -0.470 39.497 40.800 -1.388 0.000 0.942 436 D HN 0.347 nan 8.370 nan 0.000 0.467 437 V N 1.661 121.328 119.914 -0.411 0.000 2.223 437 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 437 V C 2.692 178.745 176.094 -0.067 0.000 1.045 437 V CA 1.221 63.453 62.300 -0.113 0.000 1.000 437 V CB -0.660 31.162 31.823 -0.001 0.000 0.635 437 V HN 0.181 nan 8.190 nan 0.000 0.445 438 L N -0.065 121.115 121.223 -0.071 0.000 2.010 438 L HA -0.330 4.010 4.340 -0.000 0.000 0.219 438 L C 2.695 179.539 176.870 -0.043 0.000 1.077 438 L CA 2.654 57.478 54.840 -0.027 0.000 0.773 438 L CB -0.306 41.747 42.059 -0.009 0.000 0.892 438 L HN 0.525 nan 8.230 nan 0.000 0.436 439 E N -0.529 119.589 120.200 -0.137 0.000 2.051 439 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 439 E C 1.727 178.380 176.600 0.087 0.000 0.991 439 E CA 1.646 57.993 56.400 -0.087 0.000 0.799 439 E CB -0.326 29.260 29.700 -0.191 0.000 0.748 439 E HN 0.507 nan 8.360 nan 0.000 0.449 440 W N 1.286 122.578 121.300 -0.014 0.000 2.961 440 W HA 0.098 4.758 4.660 0.000 0.000 0.240 440 W C 1.172 177.691 176.519 -0.001 0.000 1.305 440 W CA 0.755 58.099 57.345 -0.003 0.000 1.465 440 W CB -1.007 28.469 29.460 0.027 0.000 1.135 440 W HN 0.138 nan 8.180 nan 0.000 0.688 441 T N 0.261 114.925 114.554 0.185 0.000 3.412 441 T HA 0.034 4.384 4.350 -0.000 0.000 0.193 441 T C 0.352 175.092 174.700 0.066 0.000 0.810 441 T CA -0.212 61.956 62.100 0.115 0.000 1.910 441 T CB -0.283 68.635 68.868 0.084 0.000 1.974 441 T HN -0.333 nan 8.240 nan 0.000 0.443 442 R N 2.156 122.682 120.500 0.043 0.000 4.478 442 R HA 0.118 4.458 4.340 -0.000 0.000 0.228 442 R C -0.043 176.254 176.300 -0.006 0.000 0.457 442 R CA 0.185 56.297 56.100 0.019 0.000 0.951 442 R CB -0.892 29.416 30.300 0.013 0.000 0.917 442 R HN 0.231 nan 8.270 nan 0.000 0.295 443 L N 0.323 121.547 121.223 0.003 0.000 5.014 443 L HA 0.180 4.520 4.340 -0.000 0.000 0.507 443 L C -0.701 176.173 176.870 0.008 0.000 0.848 443 L CA 0.299 55.133 54.840 -0.009 0.000 2.035 443 L CB 0.234 42.284 42.059 -0.014 0.000 1.926 443 L HN 0.528 nan 8.230 nan 0.000 0.609 444 M N -0.152 119.459 119.600 0.017 0.000 2.404 444 M HA 0.912 5.392 4.480 -0.000 0.000 0.338 444 M C -0.280 176.028 176.300 0.013 0.000 1.150 444 M CA -0.143 55.166 55.300 0.015 0.000 1.016 444 M CB 1.864 34.480 32.600 0.027 0.000 1.672 444 M HN -0.004 nan 8.290 nan 0.000 0.448 445 A N 1.307 124.126 122.820 -0.002 0.000 2.524 445 A HA 0.980 5.300 4.320 -0.000 0.000 0.286 445 A C -0.734 176.833 177.584 -0.028 0.000 1.203 445 A CA -0.651 51.386 52.037 0.000 0.000 0.736 445 A CB 1.614 20.623 19.000 0.015 0.000 1.322 445 A HN 0.897 nan 8.150 nan 0.000 0.424 446 T N -0.708 113.831 114.554 -0.025 0.000 2.841 446 T HA 0.733 5.083 4.350 -0.000 0.000 0.283 446 T C -0.613 174.044 174.700 -0.071 0.000 1.000 446 T CA -0.247 61.819 62.100 -0.056 0.000 0.977 446 T CB 0.802 69.648 68.868 -0.037 0.000 0.979 446 T HN 0.509 nan 8.240 nan 0.000 0.446 447 I N 1.440 121.924 120.570 -0.143 0.000 2.474 447 I HA 0.550 4.720 4.170 -0.000 0.000 0.294 447 I C -0.006 175.957 176.117 -0.256 0.000 1.005 447 I CA -0.825 60.354 61.300 -0.202 0.000 1.113 447 I CB 2.179 39.952 38.000 -0.378 0.000 1.289 447 I HN 0.667 nan 8.210 nan 0.000 0.436 448 E N 4.506 124.602 120.200 -0.173 0.000 2.222 448 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 448 E C -1.459 175.080 176.600 -0.102 0.000 0.884 448 E CA -0.741 55.575 56.400 -0.140 0.000 0.764 448 E CB 1.875 31.564 29.700 -0.019 0.000 1.169 448 E HN 0.336 nan 8.360 nan 0.000 0.413 449 F N 2.251 122.244 119.950 0.072 0.000 2.399 449 F HA 0.090 4.617 4.527 -0.000 0.000 0.342 449 F C 1.508 177.349 175.800 0.068 0.000 1.106 449 F CA -0.279 57.776 58.000 0.093 0.000 1.196 449 F CB 0.843 39.873 39.000 0.049 0.000 1.163 449 F HN 0.547 nan 8.300 nan 0.000 0.547 450 D N 1.095 121.663 120.400 0.281 0.000 2.110 450 D HA -0.066 4.574 4.640 -0.000 0.000 0.202 450 D C 0.782 177.147 176.300 0.108 0.000 0.975 450 D CA 1.294 55.380 54.000 0.145 0.000 0.839 450 D CB 0.070 40.926 40.800 0.093 0.000 0.996 450 D HN 0.271 nan 8.370 nan 0.000 0.464 451 K N 0.185 120.641 120.400 0.094 0.000 2.154 451 K HA 0.334 4.654 4.320 -0.000 0.000 0.264 451 K C 0.656 177.271 176.600 0.024 0.000 1.008 451 K CA -0.002 56.308 56.287 0.038 0.000 0.937 451 K CB 1.405 33.909 32.500 0.007 0.000 1.002 451 K HN -0.118 nan 8.250 nan 0.000 0.469 452 A N 1.708 124.531 122.820 0.005 0.000 1.835 452 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 452 A C 0.296 177.854 177.584 -0.042 0.000 1.199 452 A CA 1.856 53.889 52.037 -0.006 0.000 0.615 452 A CB -0.575 18.420 19.000 -0.007 0.000 0.838 452 A HN 0.750 nan 8.150 nan 0.000 0.444 453 S N -2.568 113.100 115.700 -0.054 0.000 2.661 453 S HA 0.683 5.153 4.470 -0.000 0.000 0.285 453 S C -0.624 173.928 174.600 -0.081 0.000 1.138 453 S CA -0.146 58.004 58.200 -0.083 0.000 0.855 453 S CB 1.510 64.670 63.200 -0.066 0.000 1.136 453 S HN 1.355 nan 8.310 nan 0.000 0.484 454 V N -2.208 117.647 119.914 -0.098 0.000 3.141 454 V HA 0.897 5.017 4.120 -0.000 0.000 0.312 454 V C -0.606 175.448 176.094 -0.066 0.000 1.157 454 V CA -0.776 61.476 62.300 -0.080 0.000 1.041 454 V CB 1.291 33.054 31.823 -0.099 0.000 1.071 454 V HN 0.990 nan 8.190 nan 0.000 0.441 455 T N 0.773 115.299 114.554 -0.046 0.000 2.885 455 T HA 0.398 4.748 4.350 -0.000 0.000 0.285 455 T C 1.233 175.920 174.700 -0.022 0.000 1.019 455 T CA 0.229 62.309 62.100 -0.034 0.000 1.010 455 T CB 1.583 70.439 68.868 -0.020 0.000 1.022 455 T HN 1.262 nan 8.240 nan 0.000 0.466 456 S N 1.409 117.094 115.700 -0.025 0.000 2.423 456 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 456 S C 1.946 176.557 174.600 0.018 0.000 1.028 456 S CA 1.693 59.882 58.200 -0.019 0.000 1.000 456 S CB -0.714 62.462 63.200 -0.040 0.000 0.797 456 S HN 0.741 nan 8.310 nan 0.000 0.487 457 S N 0.780 116.501 115.700 0.035 0.000 2.496 457 S HA 0.192 4.662 4.470 -0.000 0.000 0.224 457 S C 0.614 175.313 174.600 0.165 0.000 0.996 457 S CA -0.323 57.957 58.200 0.134 0.000 0.927 457 S CB -0.202 63.046 63.200 0.079 0.000 0.774 457 S HN 0.691 nan 8.310 nan 0.000 0.524 458 E N 1.051 121.289 120.200 0.063 0.000 2.602 458 E HA 0.454 4.804 4.350 -0.000 0.000 0.255 458 E C -0.533 176.065 176.600 -0.003 0.000 1.268 458 E CA -0.643 55.768 56.400 0.017 0.000 1.007 458 E CB 0.613 30.309 29.700 -0.007 0.000 1.208 458 E HN 0.160 nan 8.360 nan 0.000 0.584 459 K N 0.179 120.562 120.400 -0.028 0.000 2.267 459 K HA 0.427 4.747 4.320 -0.000 0.000 0.246 459 K C -1.236 175.351 176.600 -0.022 0.000 0.954 459 K CA -0.737 55.528 56.287 -0.037 0.000 0.824 459 K CB 2.054 34.523 32.500 -0.052 0.000 1.167 459 K HN 0.130 nan 8.250 nan 0.000 0.431 460 V N 1.948 121.857 119.914 -0.008 0.000 2.334 460 V HA 0.107 4.227 4.120 -0.000 0.000 0.267 460 V C 0.314 176.495 176.094 0.146 0.000 1.040 460 V CA -0.496 61.831 62.300 0.045 0.000 0.866 460 V CB 0.975 32.816 31.823 0.030 0.000 1.019 460 V HN 0.778 nan 8.190 nan 0.000 0.468 461 T N 6.073 120.703 114.554 0.127 0.000 2.889 461 T HA 0.711 5.061 4.350 -0.000 0.000 0.291 461 T C -0.768 174.085 174.700 0.253 0.000 0.995 461 T CA -0.281 61.869 62.100 0.084 0.000 1.092 461 T CB 0.369 69.243 68.868 0.010 0.000 0.954 461 T HN 0.605 nan 8.240 nan 0.000 0.506 462 F N 1.069 121.064 119.950 0.076 0.000 2.654 462 F HA 0.778 5.305 4.527 0.000 0.000 0.308 462 F C -1.155 174.639 175.800 -0.011 0.000 1.108 462 F CA -1.321 56.701 58.000 0.037 0.000 0.957 462 F CB 1.243 40.232 39.000 -0.018 0.000 1.309 462 F HN 0.488 nan 8.300 nan 0.000 0.446 463 K N 1.478 122.001 120.400 0.205 0.000 2.295 463 K HA 0.767 5.087 4.320 -0.000 0.000 0.239 463 K C -1.565 175.148 176.600 0.188 0.000 0.991 463 K CA -1.369 54.972 56.287 0.091 0.000 0.845 463 K CB 2.742 35.257 32.500 0.025 0.000 1.197 463 K HN 0.536 nan 8.250 nan 0.000 0.441 464 V N 2.552 122.527 119.914 0.102 0.000 2.318 464 V HA 0.014 4.134 4.120 -0.000 0.000 0.271 464 V C 1.262 177.381 176.094 0.042 0.000 1.030 464 V CA -0.257 62.092 62.300 0.082 0.000 0.844 464 V CB 0.672 32.536 31.823 0.068 0.000 1.015 464 V HN 1.057 nan 8.190 nan 0.000 0.460 465 T N 1.233 115.804 114.554 0.029 0.000 2.788 465 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 465 T C 0.723 175.449 174.700 0.044 0.000 1.044 465 T CA 0.999 63.115 62.100 0.027 0.000 1.139 465 T CB -0.011 68.863 68.868 0.010 0.000 0.867 465 T HN 0.901 nan 8.240 nan 0.000 0.454 466 S N -0.690 115.039 115.700 0.050 0.000 2.627 466 S HA 0.603 5.073 4.470 -0.000 0.000 0.268 466 S C -0.801 173.842 174.600 0.071 0.000 1.130 466 S CA -0.818 57.425 58.200 0.071 0.000 0.819 466 S CB 1.344 64.577 63.200 0.055 0.000 1.100 466 S HN 1.355 nan 8.310 nan 0.000 0.465 467 C N -0.471 118.881 119.300 0.087 0.000 3.253 467 C HA 0.961 5.421 4.460 -0.000 0.000 0.361 467 C C 0.875 175.906 174.990 0.068 0.000 1.498 467 C CA -0.074 58.988 59.018 0.074 0.000 1.163 467 C CB 0.594 28.392 27.740 0.096 0.000 1.687 467 C HN 1.743 nan 8.230 nan 0.000 0.430 468 G N -0.128 108.699 108.800 0.044 0.000 2.773 468 G HA2 0.613 4.573 3.960 -0.000 0.000 0.186 468 G HA3 0.613 4.573 3.960 -0.000 0.000 0.186 468 G C 1.122 176.018 174.900 -0.006 0.000 1.411 468 G CA 0.263 45.373 45.100 0.018 0.000 1.054 468 G HN 1.887 nan 8.290 nan 0.000 0.579 469 A N -1.037 121.751 122.820 -0.055 0.000 1.930 469 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 469 A C 0.771 178.274 177.584 -0.135 0.000 1.175 469 A CA 1.399 53.374 52.037 -0.103 0.000 0.627 469 A CB -0.226 18.685 19.000 -0.148 0.000 0.815 469 A HN 0.487 nan 8.150 nan 0.000 0.443 470 E N -1.398 118.724 120.200 -0.130 0.000 2.234 470 E HA 0.574 4.924 4.350 -0.000 0.000 0.266 470 E C -1.362 175.272 176.600 0.056 0.000 0.877 470 E CA -0.558 55.801 56.400 -0.069 0.000 0.758 470 E CB 2.005 31.455 29.700 -0.416 0.000 1.170 470 E HN 0.117 nan 8.360 nan 0.000 0.415 471 L N 3.769 125.096 121.223 0.172 0.000 2.255 471 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 471 L C -1.096 175.867 176.870 0.155 0.000 1.046 471 L CA -0.612 54.312 54.840 0.139 0.000 0.816 471 L CB 0.491 42.638 42.059 0.147 0.000 1.197 471 L HN 0.525 nan 8.230 nan 0.000 0.427 472 I N 6.178 126.808 120.570 0.099 0.000 2.494 472 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 472 I C 1.413 177.538 176.117 0.014 0.000 1.106 472 I CA 0.481 61.830 61.300 0.081 0.000 1.369 472 I CB 0.125 38.145 38.000 0.034 0.000 1.410 472 I HN 0.730 nan 8.210 nan 0.000 0.523 473 R N 4.646 125.158 120.500 0.020 0.000 2.046 473 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 473 R C 0.192 176.417 176.300 -0.125 0.000 1.179 473 R CA 0.901 56.970 56.100 -0.052 0.000 0.952 473 R CB 0.010 30.304 30.300 -0.009 0.000 0.843 473 R HN 0.780 nan 8.270 nan 0.000 0.439 474 N N -1.141 117.516 118.700 -0.072 0.000 2.571 474 N HA 0.407 5.147 4.740 -0.000 0.000 0.273 474 N C -1.495 173.994 175.510 -0.035 0.000 1.340 474 N CA -0.882 52.120 53.050 -0.079 0.000 0.789 474 N CB 2.098 40.544 38.487 -0.069 0.000 1.514 474 N HN -0.174 nan 8.380 nan 0.000 0.499 475 V N 0.209 120.116 119.914 -0.012 0.000 2.668 475 V HA 0.483 4.603 4.120 -0.000 0.000 0.304 475 V C -0.905 175.158 176.094 -0.052 0.000 1.071 475 V CA -0.622 61.667 62.300 -0.019 0.000 0.894 475 V CB 1.319 33.128 31.823 -0.023 0.000 1.008 475 V HN 0.614 nan 8.190 nan 0.000 0.425 476 L N 5.239 126.367 121.223 -0.159 0.000 2.365 476 L HA 0.677 5.017 4.340 -0.000 0.000 0.273 476 L C -1.061 175.575 176.870 -0.390 0.000 1.000 476 L CA -0.829 53.740 54.840 -0.452 0.000 0.819 476 L CB 1.936 43.519 42.059 -0.793 0.000 1.284 476 L HN 0.803 nan 8.230 nan 0.000 0.418 477 Y N 0.546 120.582 120.300 -0.440 0.000 2.409 477 Y HA 0.815 5.365 4.550 -0.000 0.000 0.339 477 Y C -1.135 174.555 175.900 -0.351 0.000 1.033 477 Y CA -1.396 56.570 58.100 -0.223 0.000 1.094 477 Y CB 1.032 39.472 38.460 -0.033 0.000 1.210 477 Y HN 0.203 nan 8.280 nan 0.000 0.456 478 F N 1.488 121.512 119.950 0.123 0.000 2.556 478 F HA 0.794 5.321 4.527 -0.000 0.000 0.327 478 F C -0.631 175.252 175.800 0.139 0.000 1.059 478 F CA -1.510 56.548 58.000 0.097 0.000 0.953 478 F CB 2.386 41.425 39.000 0.064 0.000 1.227 478 F HN 0.581 nan 8.300 nan 0.000 0.478 479 K N -0.090 120.556 120.400 0.410 0.000 2.569 479 K HA 0.548 4.868 4.320 -0.000 0.000 0.259 479 K C -2.176 174.669 176.600 0.409 0.000 0.932 479 K CA -1.135 55.404 56.287 0.421 0.000 0.833 479 K CB 1.462 34.164 32.500 0.338 0.000 1.340 479 K HN 0.546 nan 8.250 nan 0.000 0.429 480 N N 0.638 119.595 118.700 0.428 0.000 2.456 480 N HA 0.430 5.170 4.740 -0.000 0.000 0.288 480 N C -0.744 174.939 175.510 0.288 0.000 1.059 480 N CA -0.915 52.294 53.050 0.265 0.000 0.946 480 N CB 1.803 40.357 38.487 0.111 0.000 1.150 480 N HN 0.352 nan 8.380 nan 0.000 0.479 481 V N 0.787 120.821 119.914 0.199 0.000 2.481 481 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 481 V C -0.449 175.751 176.094 0.177 0.000 1.042 481 V CA -0.723 61.708 62.300 0.218 0.000 0.928 481 V CB 0.258 32.152 31.823 0.119 0.000 0.986 481 V HN 0.623 nan 8.190 nan 0.000 0.462 482 W N 2.642 123.938 121.300 -0.007 0.000 2.516 482 W HA 0.594 5.254 4.660 0.000 0.000 0.343 482 W C 0.390 176.892 176.519 -0.029 0.000 1.094 482 W CA -0.606 56.725 57.345 -0.023 0.000 1.250 482 W CB 0.917 30.361 29.460 -0.027 0.000 1.308 482 W HN 0.609 nan 8.180 nan 0.000 0.588 483 N N 1.802 120.591 118.700 0.147 0.000 2.785 483 N HA -0.003 4.737 4.740 -0.000 0.000 0.224 483 N C -1.286 174.257 175.510 0.055 0.000 1.448 483 N CA -0.259 52.835 53.050 0.074 0.000 0.748 483 N CB 0.015 38.504 38.487 0.004 0.000 1.385 483 N HN 0.354 nan 8.380 nan 0.000 0.538 484 D N 1.596 122.071 120.400 0.125 0.000 2.419 484 D HA 0.287 4.927 4.640 -0.000 0.000 0.236 484 D C 0.229 176.551 176.300 0.037 0.000 1.165 484 D CA 0.431 54.487 54.000 0.093 0.000 0.882 484 D CB 0.628 41.508 40.800 0.133 0.000 1.201 484 D HN 0.700 nan 8.370 nan 0.000 0.443 485 A N -0.150 122.680 122.820 0.017 0.000 2.026 485 A HA 0.267 4.587 4.320 -0.000 0.000 0.259 485 A C -0.155 177.423 177.584 -0.009 0.000 1.374 485 A CA 0.418 52.457 52.037 0.003 0.000 0.717 485 A CB -1.762 17.241 19.000 0.005 0.000 1.187 485 A HN 1.534 nan 8.150 nan 0.000 0.296 486 A N 1.659 124.467 122.820 -0.019 0.000 2.547 486 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 486 A C 0.409 177.976 177.584 -0.028 0.000 1.056 486 A CA 0.295 52.316 52.037 -0.027 0.000 0.688 486 A CB 0.479 19.456 19.000 -0.038 0.000 1.282 486 A HN 0.960 nan 8.150 nan 0.000 0.400 487 E N 1.034 121.219 120.200 -0.026 0.000 1.986 487 E HA -0.188 4.162 4.350 -0.000 0.000 0.229 487 E C 0.024 176.607 176.600 -0.027 0.000 0.997 487 E CA 1.788 58.174 56.400 -0.024 0.000 0.894 487 E CB -0.101 29.586 29.700 -0.022 0.000 0.813 487 E HN 0.701 nan 8.360 nan 0.000 0.549 488 D N -0.098 120.284 120.400 -0.030 0.000 2.412 488 D HA 0.042 4.682 4.640 -0.000 0.000 0.257 488 D C 0.712 176.985 176.300 -0.044 0.000 1.217 488 D CA 0.579 54.559 54.000 -0.033 0.000 0.897 488 D CB 1.204 41.985 40.800 -0.032 0.000 1.132 488 D HN 0.328 nan 8.370 nan 0.000 0.493 489 A N 3.193 125.988 122.820 -0.042 0.000 1.892 489 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 489 A C 2.185 179.725 177.584 -0.074 0.000 1.188 489 A CA 2.179 54.184 52.037 -0.054 0.000 0.631 489 A CB -0.619 18.356 19.000 -0.042 0.000 0.822 489 A HN 0.638 nan 8.150 nan 0.000 0.447 490 S N -0.760 114.903 115.700 -0.062 0.000 2.440 490 S HA -0.220 4.250 4.470 -0.000 0.000 0.240 490 S C 1.347 175.894 174.600 -0.090 0.000 1.014 490 S CA 1.589 59.748 58.200 -0.069 0.000 0.980 490 S CB -0.404 62.769 63.200 -0.045 0.000 0.775 490 S HN 0.694 nan 8.310 nan 0.000 0.499 491 Q N -0.191 119.557 119.800 -0.087 0.000 2.186 491 Q HA 0.301 4.641 4.340 -0.000 0.000 0.241 491 Q C 1.119 177.046 176.000 -0.121 0.000 0.849 491 Q CA -0.295 55.450 55.803 -0.097 0.000 1.053 491 Q CB 0.378 29.075 28.738 -0.069 0.000 1.146 491 Q HN 0.585 nan 8.270 nan 0.000 0.475 492 R N -0.475 119.931 120.500 -0.157 0.000 2.276 492 R HA 0.115 4.455 4.340 -0.000 0.000 0.196 492 R C 0.161 176.276 176.300 -0.307 0.000 0.961 492 R CA 0.451 56.446 56.100 -0.175 0.000 1.024 492 R CB 0.856 31.063 30.300 -0.155 0.000 0.940 492 R HN -0.099 nan 8.270 nan 0.000 0.480 493 V N 2.476 122.165 119.914 -0.375 0.000 2.445 493 V HA 0.313 4.433 4.120 -0.000 0.000 0.283 493 V C -0.576 175.343 176.094 -0.292 0.000 1.014 493 V CA -0.558 61.423 62.300 -0.532 0.000 0.852 493 V CB 1.751 33.046 31.823 -0.879 0.000 1.021 493 V HN 0.086 nan 8.190 nan 0.000 0.435 494 I N 3.582 124.042 120.570 -0.184 0.000 2.353 494 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 494 I C 0.492 176.609 176.117 -0.000 0.000 0.992 494 I CA -0.212 61.040 61.300 -0.079 0.000 1.268 494 I CB 1.991 39.952 38.000 -0.065 0.000 1.387 494 I HN 0.473 nan 8.210 nan 0.000 0.478 495 T N 5.036 119.621 114.554 0.052 0.000 3.477 495 T HA 0.185 4.535 4.350 -0.000 0.000 0.347 495 T C -0.299 174.532 174.700 0.218 0.000 1.567 495 T CA -0.302 61.890 62.100 0.153 0.000 1.169 495 T CB -0.710 68.243 68.868 0.143 0.000 1.196 495 T HN 0.243 nan 8.240 nan 0.000 0.768 496 Y N 3.740 124.052 120.300 0.020 0.000 2.379 496 Y HA 0.464 5.014 4.550 0.000 0.000 0.337 496 Y C -0.004 175.875 175.900 -0.035 0.000 1.238 496 Y CA -1.796 56.224 58.100 -0.135 0.000 1.405 496 Y CB 0.319 38.677 38.460 -0.169 0.000 1.310 496 Y HN 0.518 nan 8.280 nan 0.000 0.569 497 F N 0.448 119.998 119.950 -0.666 0.000 2.518 497 F HA 0.776 5.303 4.527 0.000 0.000 0.338 497 F C -0.540 174.637 175.800 -1.039 0.000 1.065 497 F CA -1.959 55.530 58.000 -0.852 0.000 1.012 497 F CB 0.933 39.382 39.000 -0.918 0.000 1.297 497 F HN 0.260 nan 8.300 nan 0.000 0.489 498 S N -0.750 114.558 115.700 -0.654 0.000 2.649 498 S HA 0.358 4.828 4.470 -0.000 0.000 0.274 498 S C -1.477 172.673 174.600 -0.750 0.000 1.176 498 S CA -0.542 57.263 58.200 -0.658 0.000 0.988 498 S CB 0.024 62.722 63.200 -0.837 0.000 1.071 498 S HN 0.750 nan 8.310 nan 0.000 0.478 499 H N 2.040 120.911 119.070 -0.333 0.000 2.815 499 H HA 0.292 4.848 4.556 -0.000 0.000 0.350 499 H C -0.596 174.711 175.328 -0.035 0.000 1.080 499 H CA 0.741 56.663 56.048 -0.210 0.000 1.433 499 H CB 0.379 30.067 29.762 -0.124 0.000 1.432 499 H HN 0.487 nan 8.280 nan 0.000 0.592 500 F N 2.400 122.377 119.950 0.045 0.000 2.375 500 F HA 0.327 4.854 4.527 -0.000 0.000 0.361 500 F C -0.535 175.286 175.800 0.035 0.000 1.117 500 F CA -0.562 57.506 58.000 0.114 0.000 1.037 500 F CB 0.705 39.801 39.000 0.160 0.000 1.192 500 F HN 0.381 nan 8.300 nan 0.000 0.452 501 S N 5.550 121.063 115.700 -0.312 0.000 2.480 501 S HA 0.148 4.618 4.470 -0.000 0.000 0.286 501 S C 0.734 175.135 174.600 -0.332 0.000 1.180 501 S CA -0.640 57.443 58.200 -0.195 0.000 1.075 501 S CB 1.751 64.882 63.200 -0.116 0.000 0.996 501 S HN 0.902 nan 8.310 nan 0.000 0.487 502 Q N 2.362 122.123 119.800 -0.064 0.000 2.212 502 Q HA 0.156 4.496 4.340 -0.000 0.000 0.199 502 Q C -0.280 175.758 176.000 0.065 0.000 0.950 502 Q CA 0.959 56.787 55.803 0.042 0.000 0.863 502 Q CB 0.170 28.999 28.738 0.152 0.000 0.944 502 Q HN 0.714 nan 8.270 nan 0.000 0.465 503 I N 0.527 121.120 120.570 0.038 0.000 2.404 503 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 503 I C -0.180 175.959 176.117 0.037 0.000 0.992 503 I CA -0.561 60.778 61.300 0.065 0.000 1.149 503 I CB 2.070 40.107 38.000 0.061 0.000 1.315 503 I HN -0.072 nan 8.210 nan 0.000 0.446 504 T N 4.508 119.082 114.554 0.034 0.000 2.671 504 T HA 0.690 5.040 4.350 -0.000 0.000 0.300 504 T C -1.523 173.193 174.700 0.027 0.000 1.238 504 T CA -0.323 61.789 62.100 0.020 0.000 1.020 504 T CB 1.885 70.740 68.868 -0.021 0.000 1.503 504 T HN 0.227 nan 8.240 nan 0.000 0.497 505 V N 1.883 121.809 119.914 0.021 0.000 2.962 505 V HA 0.560 4.680 4.120 -0.000 0.000 0.313 505 V C 0.329 176.414 176.094 -0.014 0.000 1.099 505 V CA -0.958 61.350 62.300 0.015 0.000 0.971 505 V CB 1.953 33.807 31.823 0.051 0.000 1.028 505 V HN 1.157 nan 8.190 nan 0.000 0.430 506 T N 1.148 115.669 114.554 -0.055 0.000 2.937 506 T HA 0.140 4.490 4.350 -0.000 0.000 0.316 506 T C 0.389 175.076 174.700 -0.021 0.000 1.079 506 T CA -0.054 61.996 62.100 -0.084 0.000 1.131 506 T CB -0.113 68.615 68.868 -0.233 0.000 1.000 506 T HN 0.843 nan 8.240 nan 0.000 0.549 507 N N -0.686 118.015 118.700 0.001 0.000 2.746 507 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 507 N C -0.309 175.194 175.510 -0.012 0.000 1.055 507 N CA 0.847 53.901 53.050 0.006 0.000 0.699 507 N CB -1.764 36.729 38.487 0.010 0.000 0.919 507 N HN 1.151 nan 8.380 nan 0.000 0.548 508 A N -0.164 122.655 122.820 -0.001 0.000 2.330 508 A HA 0.873 5.193 4.320 -0.000 0.000 0.329 508 A C 0.577 178.168 177.584 0.012 0.000 1.135 508 A CA 0.062 52.098 52.037 -0.002 0.000 0.817 508 A CB 1.410 20.414 19.000 0.007 0.000 1.269 508 A HN 0.379 nan 8.150 nan 0.000 0.469 509 T N -1.899 112.663 114.554 0.013 0.000 2.907 509 T HA 0.494 4.844 4.350 -0.000 0.000 0.292 509 T C -0.233 174.493 174.700 0.042 0.000 1.043 509 T CA -0.143 61.974 62.100 0.028 0.000 1.003 509 T CB 1.440 70.319 68.868 0.019 0.000 1.084 509 T HN 0.561 nan 8.240 nan 0.000 0.483 510 D N -0.217 120.221 120.400 0.063 0.000 2.379 510 D HA 0.035 4.675 4.640 -0.000 0.000 0.243 510 D C -0.339 176.009 176.300 0.079 0.000 1.088 510 D CA 0.030 54.080 54.000 0.083 0.000 0.925 510 D CB -0.189 40.680 40.800 0.115 0.000 0.888 510 D HN 0.467 nan 8.370 nan 0.000 0.529 511 D N 0.908 121.342 120.400 0.057 0.000 2.414 511 D HA 0.081 4.721 4.640 -0.000 0.000 0.232 511 D C -1.253 175.069 176.300 0.036 0.000 1.070 511 D CA -1.788 52.243 54.000 0.051 0.000 0.839 511 D CB 2.182 43.005 40.800 0.039 0.000 1.079 511 D HN -0.041 nan 8.370 nan 0.000 0.521 512 P HA -0.320 nan 4.420 nan 0.000 0.217 512 P C 1.453 178.764 177.300 0.020 0.000 1.162 512 P CA 2.127 65.244 63.100 0.028 0.000 0.901 512 P CB -0.129 31.589 31.700 0.030 0.000 0.793 513 T N -1.215 113.350 114.554 0.020 0.000 2.575 513 T HA -0.300 4.050 4.350 -0.000 0.000 0.228 513 T C 1.368 176.066 174.700 -0.003 0.000 1.332 513 T CA 2.534 64.640 62.100 0.011 0.000 1.074 513 T CB -1.836 67.039 68.868 0.011 0.000 0.806 513 T HN 0.566 nan 8.240 nan 0.000 0.475 514 S N 0.718 116.407 115.700 -0.019 0.000 2.721 514 S HA 0.645 5.115 4.470 -0.000 0.000 0.296 514 S C 0.596 175.149 174.600 -0.077 0.000 1.093 514 S CA -0.053 58.114 58.200 -0.055 0.000 0.959 514 S CB 1.131 64.287 63.200 -0.072 0.000 1.301 514 S HN 2.072 nan 8.310 nan 0.000 0.550 515 A N -0.740 121.974 122.820 -0.177 0.000 2.546 515 A HA -0.109 4.211 4.320 -0.000 0.000 0.295 515 A C 0.404 177.913 177.584 -0.125 0.000 1.455 515 A CA 0.617 52.515 52.037 -0.232 0.000 0.730 515 A CB -3.005 15.935 19.000 -0.100 0.000 1.111 515 A HN 1.709 nan 8.150 nan 0.000 0.411 516 Y N -2.480 117.822 120.300 0.002 0.000 3.944 516 Y HA -0.235 4.315 4.550 0.000 0.000 0.212 516 Y C 2.031 177.927 175.900 -0.006 0.000 1.107 516 Y CA 1.546 59.644 58.100 -0.004 0.000 1.562 516 Y CB -1.495 36.962 38.460 -0.006 0.000 1.480 516 Y HN 2.485 nan 8.280 nan 0.000 0.619 517 G N -0.550 108.311 108.800 0.101 0.000 2.176 517 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.253 517 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.253 517 G C -0.199 174.738 174.900 0.060 0.000 0.979 517 G CA 0.111 45.251 45.100 0.066 0.000 0.641 517 G HN 0.383 nan 8.290 nan 0.000 0.530 518 L N 1.291 122.555 121.223 0.069 0.000 2.325 518 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 518 L C 0.867 177.761 176.870 0.040 0.000 1.004 518 L CA -1.052 53.826 54.840 0.064 0.000 0.823 518 L CB 1.557 43.664 42.059 0.080 0.000 1.236 518 L HN 0.343 nan 8.230 nan 0.000 0.415 519 M N 1.116 120.736 119.600 0.034 0.000 2.444 519 M HA 0.653 5.133 4.480 -0.000 0.000 0.319 519 M C 0.225 176.535 176.300 0.017 0.000 1.183 519 M CA -0.455 54.860 55.300 0.026 0.000 1.032 519 M CB 1.616 34.234 32.600 0.030 0.000 1.569 519 M HN 0.542 nan 8.290 nan 0.000 0.468 520 S N 0.274 115.989 115.700 0.025 0.000 2.713 520 S HA 0.501 4.971 4.470 -0.000 0.000 0.277 520 S C -0.395 174.229 174.600 0.041 0.000 1.168 520 S CA -1.000 57.213 58.200 0.022 0.000 0.994 520 S CB 0.738 63.963 63.200 0.043 0.000 1.054 520 S HN 0.777 nan 8.310 nan 0.000 0.555 521 N N 0.866 119.600 118.700 0.056 0.000 2.443 521 N HA 0.318 5.058 4.740 -0.000 0.000 0.295 521 N C -0.864 174.824 175.510 0.297 0.000 1.076 521 N CA -0.303 52.834 53.050 0.146 0.000 0.919 521 N CB 1.430 39.907 38.487 -0.018 0.000 1.176 521 N HN 0.648 nan 8.380 nan 0.000 0.487 522 T N 2.301 117.066 114.554 0.351 0.000 2.829 522 T HA 0.034 4.384 4.350 -0.000 0.000 0.293 522 T C 1.817 176.701 174.700 0.308 0.000 0.970 522 T CA -0.212 62.072 62.100 0.307 0.000 1.168 522 T CB 0.215 69.287 68.868 0.340 0.000 0.911 522 T HN 0.264 nan 8.240 nan 0.000 0.535 523 L N 2.757 124.041 121.223 0.101 0.000 2.661 523 L HA -0.112 4.228 4.340 -0.000 0.000 0.236 523 L C 2.183 178.834 176.870 -0.364 0.000 1.176 523 L CA 1.053 55.774 54.840 -0.199 0.000 0.836 523 L CB -0.681 41.279 42.059 -0.166 0.000 0.960 523 L HN 0.617 nan 8.230 nan 0.000 0.455 524 D N 0.230 120.587 120.400 -0.072 0.000 2.103 524 D HA -0.287 4.353 4.640 -0.000 0.000 0.190 524 D C 2.089 178.183 176.300 -0.343 0.000 0.997 524 D CA 1.893 55.845 54.000 -0.079 0.000 0.833 524 D CB -0.283 40.657 40.800 0.232 0.000 0.961 524 D HN 0.463 nan 8.370 nan 0.000 0.447 525 F N 1.840 121.504 119.950 -0.477 0.000 2.118 525 F HA -0.309 4.218 4.527 0.000 0.000 0.297 525 F C 1.987 177.541 175.800 -0.409 0.000 1.061 525 F CA 2.043 59.660 58.000 -0.639 0.000 1.268 525 F CB -1.905 36.867 39.000 -0.381 0.000 1.019 525 F HN -0.138 nan 8.300 nan 0.000 0.492 526 T N -0.337 113.653 114.554 -0.940 0.000 2.918 526 T HA -0.261 4.089 4.350 -0.000 0.000 0.271 526 T C 1.553 176.109 174.700 -0.241 0.000 1.104 526 T CA 1.565 63.318 62.100 -0.578 0.000 1.114 526 T CB -0.570 67.962 68.868 -0.560 0.000 0.855 526 T HN 0.612 nan 8.240 nan 0.000 0.518 527 Q N 0.248 119.919 119.800 -0.214 0.000 2.291 527 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 527 Q C 0.459 176.429 176.000 -0.050 0.000 0.976 527 Q CA 0.588 56.326 55.803 -0.109 0.000 0.875 527 Q CB -0.315 28.362 28.738 -0.102 0.000 0.927 527 Q HN 0.550 nan 8.270 nan 0.000 0.450 528 L N 2.466 123.663 121.223 -0.044 0.000 2.356 528 L HA 0.147 4.487 4.340 -0.000 0.000 0.282 528 L C -0.198 176.830 176.870 0.264 0.000 1.132 528 L CA -0.692 54.179 54.840 0.051 0.000 0.923 528 L CB -0.099 41.974 42.059 0.023 0.000 1.278 528 L HN -0.030 nan 8.230 nan 0.000 0.436 529 D N 2.542 123.111 120.400 0.281 0.000 2.455 529 D HA -0.054 4.586 4.640 -0.000 0.000 0.241 529 D C 0.040 176.698 176.300 0.597 0.000 1.138 529 D CA 0.672 54.888 54.000 0.360 0.000 0.877 529 D CB 0.374 41.392 40.800 0.364 0.000 1.187 529 D HN 0.376 nan 8.370 nan 0.000 0.451 530 W N 1.291 122.688 121.300 0.161 0.000 1.607 530 W HA -0.242 4.418 4.660 0.000 0.000 0.256 530 W C 0.281 176.791 176.519 -0.014 0.000 1.036 530 W CA 0.281 57.632 57.345 0.009 0.000 0.431 530 W CB -2.864 26.554 29.460 -0.071 0.000 2.055 530 W HN 0.640 nan 8.180 nan 0.000 1.164 531 H N 1.517 120.711 119.070 0.207 0.000 3.038 531 H HA 0.214 4.770 4.556 -0.000 0.000 0.338 531 H C -1.620 173.710 175.328 0.003 0.000 1.041 531 H CA -0.571 55.525 56.048 0.079 0.000 1.394 531 H CB -0.097 29.736 29.762 0.119 0.000 1.357 531 H HN -0.012 nan 8.280 nan 0.000 0.600 532 P HA -0.056 nan 4.420 nan 0.000 0.268 532 P C 0.415 177.686 177.300 -0.049 0.000 1.208 532 P CA -0.261 62.776 63.100 -0.105 0.000 0.777 532 P CB 0.757 32.412 31.700 -0.074 0.000 0.875 533 I N 2.508 123.037 120.570 -0.068 0.000 2.683 533 I HA 0.046 4.216 4.170 -0.000 0.000 0.286 533 I C 1.110 177.190 176.117 -0.062 0.000 1.175 533 I CA 0.012 61.212 61.300 -0.166 0.000 1.429 533 I CB -0.929 36.893 38.000 -0.298 0.000 1.371 533 I HN 0.244 nan 8.210 nan 0.000 0.569 534 I N 7.383 127.871 120.570 -0.136 0.000 2.336 534 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 534 I C -0.800 175.202 176.117 -0.192 0.000 0.991 534 I CA -0.649 60.605 61.300 -0.078 0.000 1.227 534 I CB 0.840 38.757 38.000 -0.139 0.000 1.366 534 I HN 0.313 nan 8.210 nan 0.000 0.466 535 Y N 5.305 125.587 120.300 -0.031 0.000 2.334 535 Y HA 0.464 5.014 4.550 0.000 0.000 0.336 535 Y C -0.046 175.839 175.900 -0.026 0.000 0.960 535 Y CA -0.847 57.242 58.100 -0.018 0.000 1.164 535 Y CB 1.500 39.955 38.460 -0.008 0.000 1.155 535 Y HN 0.165 nan 8.280 nan 0.000 0.478 536 V N 3.316 123.280 119.914 0.084 0.000 2.435 536 V HA 0.433 4.553 4.120 -0.000 0.000 0.290 536 V C -0.030 176.084 176.094 0.032 0.000 1.030 536 V CA -0.941 61.380 62.300 0.035 0.000 0.881 536 V CB 1.846 33.662 31.823 -0.012 0.000 0.983 536 V HN 0.848 nan 8.190 nan 0.000 0.445 537 T N 1.693 116.264 114.554 0.028 0.000 2.845 537 T HA 0.664 5.014 4.350 -0.000 0.000 0.288 537 T C -0.483 174.209 174.700 -0.013 0.000 0.980 537 T CA -0.742 61.372 62.100 0.023 0.000 1.071 537 T CB 1.263 70.154 68.868 0.040 0.000 0.941 537 T HN 0.868 nan 8.240 nan 0.000 0.487 538 E N 1.350 121.540 120.200 -0.016 0.000 2.224 538 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 538 E C -0.544 176.075 176.600 0.030 0.000 0.878 538 E CA -1.075 55.301 56.400 -0.040 0.000 0.759 538 E CB 1.204 30.832 29.700 -0.120 0.000 1.164 538 E HN 0.690 nan 8.360 nan 0.000 0.414 539 T N 0.784 115.373 114.554 0.058 0.000 2.932 539 T HA -0.020 4.330 4.350 -0.000 0.000 0.312 539 T C 1.464 176.214 174.700 0.084 0.000 1.071 539 T CA -0.053 62.091 62.100 0.074 0.000 1.128 539 T CB 1.115 70.038 68.868 0.092 0.000 0.984 539 T HN 0.647 nan 8.240 nan 0.000 0.549 540 S N 1.284 117.022 115.700 0.063 0.000 2.441 540 S HA -0.175 4.295 4.470 -0.000 0.000 0.242 540 S C 1.807 176.448 174.600 0.068 0.000 1.018 540 S CA 1.204 59.439 58.200 0.058 0.000 0.988 540 S CB -1.129 62.094 63.200 0.039 0.000 0.778 540 S HN 0.597 nan 8.310 nan 0.000 0.498 541 V N 2.409 122.370 119.914 0.077 0.000 2.223 541 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 541 V C 2.799 178.947 176.094 0.090 0.000 1.045 541 V CA 2.223 64.567 62.300 0.074 0.000 1.000 541 V CB -1.091 30.780 31.823 0.079 0.000 0.635 541 V HN 0.684 nan 8.190 nan 0.000 0.445 542 H N 0.435 119.521 119.070 0.026 0.000 2.456 542 H HA -0.040 4.516 4.556 0.000 0.000 0.296 542 H C 1.145 176.485 175.328 0.021 0.000 1.079 542 H CA 0.984 57.046 56.048 0.023 0.000 1.322 542 H CB -0.235 29.543 29.762 0.027 0.000 1.388 542 H HN 0.465 nan 8.280 nan 0.000 0.538 543 N N -0.047 118.785 118.700 0.219 0.000 2.520 543 N HA -0.027 4.713 4.740 -0.000 0.000 0.273 543 N C 1.071 176.619 175.510 0.062 0.000 1.155 543 N CA 0.157 53.304 53.050 0.161 0.000 0.967 543 N CB 1.204 39.761 38.487 0.118 0.000 1.092 543 N HN -0.117 nan 8.380 nan 0.000 0.457 544 V N 1.814 121.756 119.914 0.045 0.000 3.241 544 V HA -0.047 4.073 4.120 -0.000 0.000 0.269 544 V C 1.397 177.502 176.094 0.019 0.000 1.151 544 V CA 1.671 63.979 62.300 0.014 0.000 1.158 544 V CB -1.118 30.712 31.823 0.012 0.000 0.764 544 V HN 0.770 nan 8.190 nan 0.000 0.508 545 A N -0.370 122.468 122.820 0.030 0.000 2.535 545 A HA 0.246 4.566 4.320 -0.000 0.000 0.273 545 A C 1.134 178.733 177.584 0.025 0.000 1.267 545 A CA -0.039 52.013 52.037 0.025 0.000 0.940 545 A CB -0.321 18.695 19.000 0.028 0.000 1.101 545 A HN 0.443 nan 8.150 nan 0.000 0.521 546 N N -1.600 117.116 118.700 0.027 0.000 2.758 546 N HA -0.206 4.534 4.740 -0.000 0.000 0.245 546 N C -0.124 175.403 175.510 0.028 0.000 1.059 546 N CA 1.503 54.569 53.050 0.026 0.000 0.900 546 N CB -1.034 37.464 38.487 0.018 0.000 1.145 546 N HN 0.582 nan 8.380 nan 0.000 0.590 547 L N 1.837 123.079 121.223 0.032 0.000 2.329 547 L HA 0.455 4.795 4.340 -0.000 0.000 0.279 547 L C -0.226 176.667 176.870 0.038 0.000 1.014 547 L CA -1.034 53.824 54.840 0.030 0.000 0.814 547 L CB 1.419 43.493 42.059 0.026 0.000 1.257 547 L HN 0.144 nan 8.230 nan 0.000 0.424 548 N N 2.489 121.211 118.700 0.036 0.000 2.499 548 N HA 0.616 5.356 4.740 -0.000 0.000 0.281 548 N C -0.434 175.098 175.510 0.036 0.000 1.098 548 N CA -0.056 53.018 53.050 0.040 0.000 0.979 548 N CB 1.431 39.940 38.487 0.037 0.000 1.121 548 N HN 0.777 nan 8.380 nan 0.000 0.466 549 S N 1.564 117.288 115.700 0.040 0.000 3.642 549 S HA 0.643 5.113 4.470 -0.000 0.000 0.312 549 S C -0.727 173.897 174.600 0.040 0.000 1.117 549 S CA -0.885 57.339 58.200 0.040 0.000 1.104 549 S CB 0.232 63.458 63.200 0.042 0.000 1.397 549 S HN 0.847 nan 8.310 nan 0.000 0.756 550 I N 0.035 120.633 120.570 0.046 0.000 2.722 550 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 550 I C -2.163 173.980 176.117 0.042 0.000 1.161 550 I CA -1.316 60.015 61.300 0.051 0.000 1.032 550 I CB 1.744 39.798 38.000 0.091 0.000 1.244 550 I HN 0.707 nan 8.210 nan 0.000 0.421 551 L N 6.617 127.852 121.223 0.019 0.000 2.325 551 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 551 L C -0.468 176.387 176.870 -0.024 0.000 1.054 551 L CA -0.918 53.922 54.840 -0.000 0.000 0.804 551 L CB 1.626 43.674 42.059 -0.018 0.000 1.200 551 L HN 0.446 nan 8.230 nan 0.000 0.436 552 I N 1.586 122.121 120.570 -0.059 0.000 2.460 552 I HA 0.541 4.711 4.170 -0.000 0.000 0.298 552 I C 0.496 176.542 176.117 -0.118 0.000 0.989 552 I CA -0.361 60.845 61.300 -0.157 0.000 1.173 552 I CB 1.411 39.302 38.000 -0.183 0.000 1.338 552 I HN 0.585 nan 8.210 nan 0.000 0.456 553 G N 2.392 111.101 108.800 -0.151 0.000 2.566 553 G HA2 0.742 4.702 3.960 -0.000 0.000 0.311 553 G HA3 0.742 4.702 3.960 -0.000 0.000 0.311 553 G C -0.506 174.383 174.900 -0.018 0.000 1.322 553 G CA -0.703 44.388 45.100 -0.015 0.000 0.969 553 G HN 1.052 nan 8.290 nan 0.000 0.490 554 G N 0.873 109.706 108.800 0.055 0.000 2.316 554 G HA2 0.312 4.272 3.960 -0.000 0.000 0.468 554 G HA3 0.312 4.272 3.960 -0.000 0.000 0.468 554 G C -1.079 173.762 174.900 -0.099 0.000 1.523 554 G CA -0.652 44.389 45.100 -0.100 0.000 0.972 554 G HN 0.808 nan 8.290 nan 0.000 0.667 555 D N 0.476 120.809 120.400 -0.110 0.000 2.422 555 D HA 0.296 4.936 4.640 -0.000 0.000 0.263 555 D C 0.625 176.778 176.300 -0.245 0.000 1.334 555 D CA 0.007 53.929 54.000 -0.129 0.000 1.105 555 D CB 0.047 40.775 40.800 -0.121 0.000 1.107 555 D HN 0.297 nan 8.370 nan 0.000 0.522 556 L N 3.749 124.848 121.223 -0.208 0.000 2.395 556 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 556 L C 1.391 178.095 176.870 -0.277 0.000 1.133 556 L CA 0.362 55.055 54.840 -0.245 0.000 0.812 556 L CB 1.263 43.225 42.059 -0.161 0.000 1.125 556 L HN 0.375 nan 8.230 nan 0.000 0.452 557 K N 0.882 121.082 120.400 -0.334 0.000 2.678 557 K HA 0.325 4.645 4.320 -0.000 0.000 0.240 557 K C -0.240 176.251 176.600 -0.182 0.000 1.508 557 K CA -0.548 55.564 56.287 -0.293 0.000 0.824 557 K CB 0.583 32.792 32.500 -0.484 0.000 1.893 557 K HN 0.288 nan 8.250 nan 0.000 0.366 558 R N 2.648 123.043 120.500 -0.176 0.000 2.332 558 R HA 0.338 4.678 4.340 -0.000 0.000 0.306 558 R C -2.775 173.485 176.300 -0.067 0.000 1.117 558 R CA -2.500 53.552 56.100 -0.080 0.000 1.108 558 R CB 1.053 31.337 30.300 -0.027 0.000 1.126 558 R HN 0.112 nan 8.270 nan 0.000 0.548 559 P HA 0.468 nan 4.420 nan 0.000 0.283 559 P C -0.945 176.354 177.300 -0.002 0.000 1.278 559 P CA -0.419 62.656 63.100 -0.042 0.000 0.834 559 P CB 2.125 33.788 31.700 -0.061 0.000 1.150 560 T N -1.280 113.285 114.554 0.017 0.000 2.770 560 T HA 0.375 4.725 4.350 -0.000 0.000 0.323 560 T C -1.769 172.958 174.700 0.046 0.000 1.683 560 T CA -0.406 61.714 62.100 0.033 0.000 1.024 560 T CB 0.612 69.507 68.868 0.045 0.000 1.557 560 T HN 0.108 nan 8.240 nan 0.000 0.494 561 V N 3.740 123.682 119.914 0.047 0.000 2.581 561 V HA 0.696 4.816 4.120 -0.000 0.000 0.303 561 V C -0.004 176.120 176.094 0.049 0.000 1.041 561 V CA -0.855 61.478 62.300 0.054 0.000 0.907 561 V CB 1.316 33.169 31.823 0.051 0.000 0.994 561 V HN 0.801 nan 8.190 nan 0.000 0.442 562 I N 0.577 121.178 120.570 0.051 0.000 2.530 562 I HA 0.654 4.824 4.170 -0.000 0.000 0.297 562 I C 0.207 176.341 176.117 0.029 0.000 1.011 562 I CA -0.496 60.829 61.300 0.041 0.000 1.107 562 I CB 1.869 39.898 38.000 0.047 0.000 1.285 562 I HN 0.480 nan 8.210 nan 0.000 0.436 563 T N 2.193 116.761 114.554 0.023 0.000 2.899 563 T HA 0.119 4.469 4.350 -0.000 0.000 0.295 563 T C 1.475 176.180 174.700 0.007 0.000 1.033 563 T CA -0.350 61.758 62.100 0.014 0.000 1.084 563 T CB 1.171 70.047 68.868 0.014 0.000 0.979 563 T HN 0.787 nan 8.240 nan 0.000 0.532 564 T N 1.059 115.612 114.554 -0.002 0.000 2.759 564 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 564 T C 1.442 176.142 174.700 -0.000 0.000 1.042 564 T CA 1.252 63.346 62.100 -0.010 0.000 1.140 564 T CB -0.261 68.596 68.868 -0.018 0.000 0.864 564 T HN 0.588 nan 8.240 nan 0.000 0.455 565 D N 0.957 121.360 120.400 0.004 0.000 2.097 565 D HA -0.055 4.585 4.640 -0.000 0.000 0.195 565 D C 2.363 178.670 176.300 0.012 0.000 0.989 565 D CA 0.824 54.829 54.000 0.008 0.000 0.827 565 D CB -0.377 40.428 40.800 0.008 0.000 0.966 565 D HN 0.220 nan 8.370 nan 0.000 0.456 566 V N 1.266 121.188 119.914 0.014 0.000 2.287 566 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 566 V C 2.733 178.841 176.094 0.023 0.000 1.053 566 V CA 1.109 63.421 62.300 0.019 0.000 1.027 566 V CB -0.366 31.472 31.823 0.024 0.000 0.646 566 V HN 0.036 nan 8.190 nan 0.000 0.447 567 V N -0.499 119.428 119.914 0.022 0.000 2.287 567 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 567 V C 2.403 178.513 176.094 0.027 0.000 1.053 567 V CA 2.203 64.518 62.300 0.025 0.000 1.027 567 V CB -0.790 31.044 31.823 0.017 0.000 0.646 567 V HN 0.516 nan 8.190 nan 0.000 0.447 568 K N -0.152 120.260 120.400 0.021 0.000 2.015 568 K HA -0.280 4.040 4.320 -0.000 0.000 0.220 568 K C 2.342 178.960 176.600 0.029 0.000 1.055 568 K CA 2.245 58.547 56.287 0.025 0.000 0.951 568 K CB -0.361 32.149 32.500 0.018 0.000 0.725 568 K HN 0.403 nan 8.250 nan 0.000 0.449 569 R N 0.485 120.999 120.500 0.023 0.000 2.179 569 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 569 R C 2.417 178.737 176.300 0.034 0.000 1.119 569 R CA 2.326 58.440 56.100 0.023 0.000 0.915 569 R CB -0.860 29.451 30.300 0.019 0.000 0.870 569 R HN 0.245 nan 8.270 nan 0.000 0.432 570 I N 1.057 121.650 120.570 0.037 0.000 2.151 570 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 570 I C 2.014 178.165 176.117 0.056 0.000 1.080 570 I CA 1.326 62.654 61.300 0.047 0.000 1.339 570 I CB -0.474 37.553 38.000 0.045 0.000 1.039 570 I HN 0.264 nan 8.210 nan 0.000 0.409 571 N N 0.163 118.896 118.700 0.054 0.000 2.106 571 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 571 N C 1.983 177.540 175.510 0.079 0.000 1.029 571 N CA 1.443 54.531 53.050 0.064 0.000 0.848 571 N CB -0.545 37.978 38.487 0.060 0.000 1.007 571 N HN 0.170 nan 8.380 nan 0.000 0.423 572 S N 0.059 115.800 115.700 0.069 0.000 2.440 572 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 572 S C 1.680 176.334 174.600 0.090 0.000 1.014 572 S CA 1.281 59.522 58.200 0.067 0.000 0.980 572 S CB -0.026 63.197 63.200 0.039 0.000 0.775 572 S HN 0.476 nan 8.310 nan 0.000 0.499 573 A N 0.681 123.560 122.820 0.099 0.000 1.909 573 A HA 0.582 4.902 4.320 -0.000 0.000 0.210 573 A C 2.360 180.051 177.584 0.177 0.000 1.273 573 A CA 1.036 53.161 52.037 0.146 0.000 0.654 573 A CB -1.455 17.607 19.000 0.102 0.000 0.945 573 A HN 0.570 nan 8.150 nan 0.000 0.471 574 A N 1.065 123.954 122.820 0.115 0.000 1.881 574 A HA -0.352 3.968 4.320 -0.000 0.000 0.219 574 A C 1.850 179.501 177.584 0.111 0.000 1.215 574 A CA 2.390 54.481 52.037 0.090 0.000 0.648 574 A CB -1.396 17.641 19.000 0.061 0.000 0.832 574 A HN 0.727 nan 8.150 nan 0.000 0.455 575 N N -1.869 116.913 118.700 0.138 0.000 2.061 575 N HA -0.253 4.487 4.740 -0.000 0.000 0.193 575 N C 1.760 177.434 175.510 0.274 0.000 1.030 575 N CA 1.669 54.836 53.050 0.194 0.000 0.856 575 N CB -0.413 38.170 38.487 0.161 0.000 1.023 575 N HN 0.654 nan 8.380 nan 0.000 0.424 576 Y N 1.910 122.288 120.300 0.131 0.000 2.139 576 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 576 Y C 2.239 178.265 175.900 0.209 0.000 1.179 576 Y CA 1.447 59.625 58.100 0.130 0.000 1.161 576 Y CB -0.815 37.666 38.460 0.034 0.000 0.970 576 Y HN 0.081 nan 8.280 nan 0.000 0.511 577 A N 0.666 123.400 122.820 -0.143 0.000 1.883 577 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 577 A C 2.448 180.017 177.584 -0.024 0.000 1.186 577 A CA 1.870 53.806 52.037 -0.169 0.000 0.624 577 A CB -1.317 17.655 19.000 -0.047 0.000 0.822 577 A HN 0.579 nan 8.150 nan 0.000 0.444 578 L N -2.164 119.077 121.223 0.031 0.000 2.137 578 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 578 L C 1.436 178.223 176.870 -0.139 0.000 1.085 578 L CA 1.344 56.137 54.840 -0.078 0.000 0.760 578 L CB -0.375 41.616 42.059 -0.113 0.000 0.893 578 L HN 0.584 nan 8.230 nan 0.000 0.434 579 Y N -2.835 117.550 120.300 0.141 0.000 2.681 579 Y HA 0.208 4.758 4.550 -0.000 0.000 0.267 579 Y C -0.168 175.979 175.900 0.413 0.000 1.166 579 Y CA -0.847 57.456 58.100 0.339 0.000 1.209 579 Y CB 0.015 38.601 38.460 0.211 0.000 1.161 579 Y HN 0.020 nan 8.280 nan 0.000 0.534 580 Y N -0.385 119.995 120.300 0.134 0.000 2.512 580 Y HA 0.698 5.248 4.550 -0.000 0.000 0.348 580 Y C -0.935 174.918 175.900 -0.079 0.000 0.990 580 Y CA -1.530 56.568 58.100 -0.003 0.000 1.033 580 Y CB 2.049 40.317 38.460 -0.321 0.000 1.259 580 Y HN -0.223 nan 8.280 nan 0.000 0.461 581 S N 3.812 118.919 115.700 -0.989 0.000 2.733 581 S HA 0.629 5.099 4.470 -0.000 0.000 0.294 581 S C 0.239 174.126 174.600 -1.188 0.000 1.149 581 S CA 0.038 57.666 58.200 -0.954 0.000 1.034 581 S CB 0.866 63.596 63.200 -0.783 0.000 1.015 581 S HN 1.087 nan 8.310 nan 0.000 0.486 582 A N 4.606 126.815 122.820 -1.019 0.000 1.930 582 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 582 A C 1.932 179.332 177.584 -0.308 0.000 1.175 582 A CA 1.329 53.060 52.037 -0.511 0.000 0.627 582 A CB -0.533 18.387 19.000 -0.133 0.000 0.815 582 A HN 0.831 nan 8.150 nan 0.000 0.443 583 N N 0.117 118.628 118.700 -0.315 0.000 2.104 583 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 583 N C 1.607 176.966 175.510 -0.253 0.000 1.024 583 N CA 1.491 54.402 53.050 -0.232 0.000 0.853 583 N CB -0.655 37.699 38.487 -0.221 0.000 1.008 583 N HN 0.387 nan 8.380 nan 0.000 0.424 584 L N 1.096 122.080 121.223 -0.399 0.000 1.987 584 L HA -0.184 4.156 4.340 -0.000 0.000 0.230 584 L C 0.853 177.611 176.870 -0.187 0.000 1.089 584 L CA 1.767 56.342 54.840 -0.441 0.000 0.802 584 L CB -0.783 40.889 42.059 -0.645 0.000 0.905 584 L HN 0.105 nan 8.230 nan 0.000 0.441 585 L N -0.267 120.899 121.223 -0.096 0.000 2.990 585 L HA 0.215 4.555 4.340 -0.000 0.000 0.231 585 L C 1.115 177.988 176.870 0.005 0.000 1.341 585 L CA 0.696 55.551 54.840 0.024 0.000 1.208 585 L CB -0.530 41.559 42.059 0.050 0.000 1.571 585 L HN 0.189 nan 8.230 nan 0.000 0.453 586 S N -0.857 114.835 115.700 -0.015 0.000 2.687 586 S HA 0.292 4.762 4.470 -0.000 0.000 0.247 586 S C 0.610 175.205 174.600 -0.009 0.000 1.050 586 S CA -0.189 58.002 58.200 -0.015 0.000 1.063 586 S CB 0.417 63.597 63.200 -0.034 0.000 1.039 586 S HN 0.405 nan 8.310 nan 0.000 0.580 587 N N 2.012 120.714 118.700 0.002 0.000 2.791 587 N HA 0.414 5.154 4.740 -0.000 0.000 0.265 587 N C -1.386 174.129 175.510 0.009 0.000 1.580 587 N CA 0.049 53.101 53.050 0.003 0.000 0.809 587 N CB 0.881 39.368 38.487 -0.001 0.000 1.178 587 N HN 0.311 nan 8.380 nan 0.000 0.499 588 I N 0.492 121.060 120.570 -0.004 0.000 2.468 588 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 588 I C 0.105 176.205 176.117 -0.027 0.000 1.039 588 I CA -0.755 60.529 61.300 -0.026 0.000 1.074 588 I CB 1.739 39.714 38.000 -0.042 0.000 1.228 588 I HN 0.016 nan 8.210 nan 0.000 0.436 589 S N 2.584 118.266 115.700 -0.030 0.000 2.651 589 S HA 0.549 5.019 4.470 -0.000 0.000 0.291 589 S C 0.327 174.910 174.600 -0.028 0.000 1.141 589 S CA -0.738 57.448 58.200 -0.024 0.000 1.027 589 S CB 1.472 64.660 63.200 -0.019 0.000 1.043 589 S HN 0.581 nan 8.310 nan 0.000 0.530 590 T N 0.000 114.541 114.554 -0.022 0.000 3.816 590 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 590 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 590 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 590 T HN 0.000 nan 8.240 nan 0.000 0.658