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 1eth_1_C DATA FIRST_RESID 1 DATA SEQUENCE SEVcFPRLGc FSDDAPWAGI VQRPLKILPW SPKDVDTRFL LYTNQNQNNY DATA SEQUENCE QELVADPSTI TNSNFRMDRK TRFIIHGFID KGEEDWLSNI cKNLFKVESV DATA SEQUENCE NcICVDWKGG SRTGYTQASQ NIRIVGAEVA YFVEVLKSSL GYSPSNVHVI DATA SEQUENCE GHSLGSHAAG EAGRRTNGTI ERITGLDPAE PCFQGTPELV RLDPSDAKFV DATA SEQUENCE DVIHTDAAPI IPNLGFGMSQ TVGHLDFFPN GGKQMPGcQK NILSQIVDID DATA SEQUENCE GIWEGTRDFV AcNHLRSYKY YADSILNPDG FAGFPcDSYN VFTANKcFPc DATA SEQUENCE PSEGcPQMGH YADRFPGKTN GVSQVFYLNT GDASNFARWR YKVSVTLSGK DATA SEQUENCE KVTGHILVSL FGNEGNSRQY EIYKGTLQPD NTHSDEFDSD VEVGDLQKVK DATA SEQUENCE FIWYNVINPT LPRVGASKIT VERNDGKVYD FcSQETVREE VLLTLNPc 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.593 174.600 -0.012 0.000 1.055 1 S CA 0.000 58.200 58.200 0.001 0.000 1.107 1 S CB 0.000 63.207 63.200 0.011 0.000 0.593 2 E N 0.494 120.677 120.200 -0.028 0.000 2.378 2 E HA 0.440 nan 4.350 nan 0.000 0.283 2 E C -2.002 174.547 176.600 -0.086 0.000 0.979 2 E CA -0.548 55.820 56.400 -0.053 0.000 0.795 2 E CB 2.390 32.049 29.700 -0.068 0.000 1.221 2 E HN -0.171 8.172 8.360 -0.029 0.000 0.428 3 V N -1.654 118.186 119.914 -0.123 0.000 2.914 3 V HA 0.651 nan 4.120 nan 0.000 0.314 3 V C -2.126 173.712 176.094 -0.428 0.000 1.084 3 V CA -2.189 59.915 62.300 -0.327 0.000 0.963 3 V CB 3.555 35.114 31.823 -0.439 0.000 1.025 3 V HN 0.038 8.193 8.190 -0.058 0.000 0.432 4 c N 0.576 118.808 118.600 -0.613 0.000 2.609 4 c HA 0.776 nan 4.570 nan 0.000 0.313 4 c C -1.405 172.351 174.090 -0.557 0.000 1.175 4 c CA -1.699 54.372 56.329 -0.429 0.000 1.434 4 c CB 2.115 44.513 42.510 -0.187 0.000 2.005 4 c HN 0.119 7.975 8.230 -0.623 0.000 0.471 5 F N 1.364 121.358 119.950 0.074 0.000 2.563 5 F HA 0.487 nan 4.527 nan 0.000 0.316 5 F C -1.814 173.986 175.800 0.000 0.000 1.076 5 F CA -2.858 55.151 58.000 0.016 0.000 0.921 5 F CB 0.589 39.574 39.000 -0.026 0.000 1.209 5 F HN 0.448 8.828 8.300 0.134 0.000 0.462 6 P HA -0.381 nan 4.420 nan 0.000 0.211 6 P C 1.915 179.220 177.300 0.008 0.000 0.948 6 P CA 2.793 65.933 63.100 0.067 0.000 1.010 6 P CB 0.246 31.984 31.700 0.063 0.000 0.737 7 R N -4.635 115.842 120.500 -0.037 0.000 2.153 7 R HA -0.035 nan 4.340 nan 0.000 0.218 7 R C 0.965 177.091 176.300 -0.291 0.000 1.072 7 R CA 1.378 57.327 56.100 -0.253 0.000 0.990 7 R CB -0.187 29.920 30.300 -0.321 0.000 0.889 7 R HN 0.326 8.601 8.270 0.008 0.000 0.452 8 L N -2.505 118.697 121.223 -0.034 0.000 2.667 8 L HA 0.151 nan 4.340 nan 0.000 0.232 8 L C -0.326 176.717 176.870 0.289 0.000 1.138 8 L CA -0.762 54.142 54.840 0.107 0.000 0.921 8 L CB 0.373 42.534 42.059 0.171 0.000 1.180 8 L HN -0.716 7.500 8.230 0.072 0.058 0.487 9 G N -1.901 106.988 108.800 0.150 0.000 2.569 9 G HA2 -0.429 nan 3.960 nan 0.000 0.259 9 G HA3 -0.429 nan 3.960 nan 0.000 0.259 9 G C -1.601 173.371 174.900 0.120 0.000 1.263 9 G CA -0.103 45.032 45.100 0.059 0.000 0.928 9 G HN -0.685 7.599 8.290 0.078 0.053 0.572 10 c N 1.576 120.076 118.600 -0.167 0.000 2.401 10 c HA 0.801 nan 4.570 nan 0.000 0.356 10 c C -0.313 173.392 174.090 -0.642 0.000 1.192 10 c CA -0.745 55.462 56.329 -0.202 0.000 2.028 10 c CB 2.284 44.678 42.510 -0.193 0.000 2.344 10 c HN 0.046 8.114 8.230 -0.270 0.000 0.525 11 F N 1.795 121.634 119.950 -0.186 0.000 3.034 11 F HA 0.199 nan 4.527 nan 0.000 0.371 11 F C -1.121 174.551 175.800 -0.213 0.000 1.233 11 F CA -0.770 57.102 58.000 -0.214 0.000 1.134 11 F CB 2.465 41.406 39.000 -0.098 0.000 1.495 11 F HN 0.892 9.134 8.300 -0.097 0.000 0.563 12 S N 4.364 119.915 115.700 -0.247 0.000 2.548 12 S HA 0.098 nan 4.470 nan 0.000 0.277 12 S C 0.225 174.779 174.600 -0.076 0.000 1.315 12 S CA -0.083 58.046 58.200 -0.117 0.000 1.050 12 S CB 0.682 63.846 63.200 -0.061 0.000 0.918 12 S HN 0.406 8.464 8.310 -0.419 0.000 0.497 13 D N 2.155 122.560 120.400 0.008 0.000 2.881 13 D HA 0.067 nan 4.640 nan 0.000 0.240 13 D C -1.745 174.618 176.300 0.105 0.000 1.249 13 D CA -1.789 52.246 54.000 0.058 0.000 0.839 13 D CB -0.653 40.174 40.800 0.045 0.000 1.042 13 D HN -0.085 8.181 8.370 0.005 0.108 0.475 14 D N -0.306 120.192 120.400 0.164 0.000 2.229 14 D HA 0.092 nan 4.640 nan 0.000 0.249 14 D C -0.416 175.999 176.300 0.193 0.000 1.027 14 D CA -0.488 53.603 54.000 0.152 0.000 0.923 14 D CB 2.460 43.336 40.800 0.126 0.000 1.174 14 D HN -0.984 7.428 8.370 0.207 0.082 0.443 15 A N 0.376 123.237 122.820 0.069 0.000 2.561 15 A HA -0.112 nan 4.320 nan 0.000 0.234 15 A C -1.328 176.196 177.584 -0.100 0.000 1.055 15 A CA -0.819 51.206 52.037 -0.020 0.000 0.756 15 A CB -0.319 18.658 19.000 -0.039 0.000 0.986 15 A HN 0.119 8.298 8.150 0.049 0.000 0.505 16 P HA 0.170 nan 4.420 nan 0.000 0.254 16 P C -1.272 175.815 177.300 -0.354 0.000 1.494 16 P CA -0.221 62.690 63.100 -0.315 0.000 0.961 16 P CB 0.261 31.740 31.700 -0.367 0.000 1.493 17 W N 0.277 121.531 121.300 -0.077 0.000 2.476 17 W HA -0.235 nan 4.660 nan 0.000 0.281 17 W C -0.830 175.628 176.519 -0.102 0.000 1.230 17 W CA 1.118 58.408 57.345 -0.091 0.000 1.287 17 W CB -0.029 29.396 29.460 -0.059 0.000 1.108 17 W HN -0.120 7.824 8.180 -0.111 0.169 0.567 18 A N -6.286 116.619 122.820 0.142 0.000 2.529 18 A HA 0.346 nan 4.320 nan 0.000 0.296 18 A C -0.405 177.188 177.584 0.015 0.000 1.205 18 A CA -0.949 51.113 52.037 0.042 0.000 0.671 18 A CB 1.836 20.864 19.000 0.046 0.000 1.301 18 A HN -0.894 7.239 8.150 0.161 0.114 0.450 19 G N -0.326 108.474 108.800 -0.000 0.000 2.990 19 G HA2 -0.354 nan 3.960 nan 0.000 0.225 19 G HA3 -0.354 nan 3.960 nan 0.000 0.225 19 G C 0.202 175.088 174.900 -0.023 0.000 1.304 19 G CA 0.660 45.755 45.100 -0.007 0.000 0.816 19 G HN 0.447 8.635 8.290 -0.005 0.099 0.528 20 I N -2.176 118.369 120.570 -0.041 0.000 3.003 20 I HA -0.191 nan 4.170 nan 0.000 0.294 20 I C 0.488 176.576 176.117 -0.048 0.000 1.237 20 I CA 0.297 61.565 61.300 -0.054 0.000 1.417 20 I CB 0.808 38.757 38.000 -0.084 0.000 1.340 20 I HN -0.530 7.563 8.210 -0.043 0.092 0.594 21 V N 2.268 122.158 119.914 -0.040 0.000 2.970 21 V HA -0.156 nan 4.120 nan 0.000 0.260 21 V C 1.155 177.233 176.094 -0.027 0.000 1.100 21 V CA 2.289 64.573 62.300 -0.027 0.000 1.122 21 V CB -1.006 30.805 31.823 -0.019 0.000 0.721 21 V HN 0.328 8.492 8.190 -0.042 0.000 0.483 22 Q N -0.535 119.240 119.800 -0.041 0.000 2.296 22 Q HA 0.081 nan 4.340 nan 0.000 0.273 22 Q C -0.733 175.226 176.000 -0.068 0.000 0.900 22 Q CA -0.334 55.446 55.803 -0.039 0.000 0.993 22 Q CB -1.275 27.442 28.738 -0.035 0.000 1.132 22 Q HN 0.221 8.418 8.270 -0.053 0.042 0.439 23 R N -2.047 118.413 120.500 -0.066 0.000 2.533 23 R HA 0.109 nan 4.340 nan 0.000 0.088 23 R C -2.356 173.909 176.300 -0.059 0.000 0.635 23 R CA -0.185 55.857 56.100 -0.097 0.000 0.782 23 R CB 0.014 30.225 30.300 -0.148 0.000 0.956 23 R HN -0.745 7.406 8.270 -0.046 0.091 0.626 24 P HA -0.143 nan 4.420 nan 0.000 0.213 24 P C -0.402 176.891 177.300 -0.012 0.000 1.170 24 P CA 1.686 64.774 63.100 -0.019 0.000 0.893 24 P CB 0.130 31.825 31.700 -0.008 0.000 0.784 25 L N -1.815 119.402 121.223 -0.010 0.000 2.485 25 L HA -0.145 nan 4.340 nan 0.000 0.275 25 L C 0.120 176.991 176.870 0.002 0.000 1.207 25 L CA 0.712 55.551 54.840 -0.001 0.000 0.855 25 L CB -0.091 41.969 42.059 0.001 0.000 1.114 25 L HN -0.282 7.939 8.230 -0.015 0.000 0.485 26 K N 3.346 123.754 120.400 0.013 0.000 2.268 26 K HA 0.290 nan 4.320 nan 0.000 0.276 26 K C -1.432 175.184 176.600 0.027 0.000 1.080 26 K CA -0.579 55.721 56.287 0.023 0.000 0.910 26 K CB -0.330 32.185 32.500 0.025 0.000 1.163 26 K HN 0.086 8.345 8.250 0.015 0.000 0.465 27 I N -1.524 119.061 120.570 0.026 0.000 2.802 27 I HA 0.374 nan 4.170 nan 0.000 0.298 27 I C -2.474 173.665 176.117 0.036 0.000 1.176 27 I CA -1.455 59.864 61.300 0.032 0.000 1.025 27 I CB 2.876 40.883 38.000 0.012 0.000 1.243 27 I HN 0.043 8.268 8.210 0.025 0.000 0.424 28 L N 1.102 122.365 121.223 0.066 0.000 2.352 28 L HA 0.462 nan 4.340 nan 0.000 0.269 28 L C -1.581 175.334 176.870 0.075 0.000 1.034 28 L CA -3.378 51.511 54.840 0.081 0.000 0.806 28 L CB -0.226 41.906 42.059 0.122 0.000 1.244 28 L HN 0.211 8.495 8.230 0.090 0.000 0.447 29 P HA -0.071 nan 4.420 nan 0.000 0.269 29 P C -1.867 175.541 177.300 0.180 0.000 1.211 29 P CA -0.305 62.782 63.100 -0.022 0.000 0.781 29 P CB 0.589 32.193 31.700 -0.159 0.000 0.877 30 W N -0.372 120.846 121.300 -0.136 0.000 2.298 30 W HA 0.210 nan 4.660 nan 0.000 0.358 30 W C -0.459 175.848 176.519 -0.353 0.000 1.241 30 W CA -0.850 56.417 57.345 -0.130 0.000 1.385 30 W CB 0.400 29.799 29.460 -0.102 0.000 1.225 30 W HN 0.123 8.302 8.180 -0.001 0.000 0.654 31 S N 0.837 116.485 115.700 -0.087 0.000 2.546 31 S HA -0.033 nan 4.470 nan 0.000 0.290 31 S C -0.906 173.416 174.600 -0.464 0.000 1.290 31 S CA -0.781 57.152 58.200 -0.444 0.000 1.069 31 S CB 0.501 63.615 63.200 -0.144 0.000 0.846 31 S HN -0.044 8.259 8.310 -0.012 0.000 0.495 32 P HA -0.137 nan 4.420 nan 0.000 0.303 32 P C -1.315 175.888 177.300 -0.161 0.000 1.438 32 P CA 1.155 64.021 63.100 -0.391 0.000 0.737 32 P CB -0.702 30.759 31.700 -0.398 0.000 1.402 33 K N -5.043 115.287 120.400 -0.118 0.000 2.491 33 K HA 0.046 nan 4.320 nan 0.000 0.211 33 K C -0.379 176.217 176.600 -0.007 0.000 1.210 33 K CA 0.476 56.735 56.287 -0.047 0.000 1.003 33 K CB 1.450 33.916 32.500 -0.056 0.000 1.009 33 K HN -0.089 7.960 8.250 -0.140 0.117 0.577 34 D N -0.487 119.932 120.400 0.032 0.000 2.856 34 D HA 0.096 nan 4.640 nan 0.000 0.283 34 D C 1.272 177.744 176.300 0.287 0.000 1.051 34 D CA 1.450 55.522 54.000 0.120 0.000 0.965 34 D CB 1.061 41.898 40.800 0.061 0.000 1.201 34 D HN -0.328 8.059 8.370 0.027 0.000 0.474 35 V N -1.468 118.636 119.914 0.316 0.000 2.236 35 V HA -0.293 nan 4.120 nan 0.000 0.255 35 V C 0.687 176.899 176.094 0.196 0.000 1.068 35 V CA 2.988 65.432 62.300 0.241 0.000 1.044 35 V CB -0.092 31.779 31.823 0.080 0.000 0.653 35 V HN -0.483 7.910 8.190 0.337 0.000 0.448 36 D N -3.438 117.031 120.400 0.115 0.000 2.803 36 D HA -0.357 nan 4.640 nan 0.000 0.233 36 D C -1.218 175.146 176.300 0.107 0.000 1.182 36 D CA 0.808 54.863 54.000 0.091 0.000 0.726 36 D CB -0.634 40.214 40.800 0.079 0.000 0.987 36 D HN 0.271 8.750 8.370 0.079 -0.062 0.412 37 T N 0.142 114.756 114.554 0.100 0.000 2.738 37 T HA -0.198 nan 4.350 nan 0.000 0.277 37 T C -0.205 174.513 174.700 0.029 0.000 0.981 37 T CA 1.615 63.745 62.100 0.051 0.000 1.211 37 T CB -0.395 68.483 68.868 0.017 0.000 0.932 37 T HN 0.161 8.450 8.240 0.081 0.000 0.522 38 R N 5.620 126.086 120.500 -0.056 0.000 2.664 38 R HA 0.502 nan 4.340 nan 0.000 0.286 38 R C -0.969 175.208 176.300 -0.205 0.000 0.967 38 R CA -2.022 54.075 56.100 -0.005 0.000 0.933 38 R CB 3.259 33.560 30.300 0.002 0.000 1.146 38 R HN 0.581 8.688 8.270 -0.057 0.128 0.468 39 F N 1.271 121.268 119.950 0.080 0.000 2.311 39 F HA 0.286 nan 4.527 nan 0.000 0.371 39 F C -1.104 174.655 175.800 -0.069 0.000 1.083 39 F CA -1.226 56.802 58.000 0.047 0.000 1.113 39 F CB 0.463 39.580 39.000 0.196 0.000 1.349 39 F HN 0.121 8.712 8.300 0.486 0.000 0.470 40 L N 4.955 126.094 121.223 -0.141 0.000 2.312 40 L HA 0.231 nan 4.340 nan 0.000 0.287 40 L C -1.550 175.129 176.870 -0.318 0.000 1.091 40 L CA -1.132 53.444 54.840 -0.439 0.000 0.846 40 L CB -1.120 40.410 42.059 -0.882 0.000 1.219 40 L HN 0.623 8.751 8.230 -0.170 0.000 0.439 41 L N 5.812 126.941 121.223 -0.157 0.000 2.397 41 L HA 0.125 nan 4.340 nan 0.000 0.271 41 L C -2.034 174.764 176.870 -0.120 0.000 1.148 41 L CA -0.090 54.718 54.840 -0.053 0.000 0.825 41 L CB 1.212 43.317 42.059 0.077 0.000 1.117 41 L HN -0.215 7.859 8.230 -0.083 0.106 0.456 42 Y N 3.320 123.691 120.300 0.117 0.000 2.470 42 Y HA 0.312 nan 4.550 nan 0.000 0.341 42 Y C -1.480 174.558 175.900 0.230 0.000 1.021 42 Y CA -1.075 57.142 58.100 0.195 0.000 1.025 42 Y CB 4.180 42.803 38.460 0.271 0.000 1.266 42 Y HN -0.432 7.998 8.280 0.250 0.000 0.448 43 T N 1.550 116.188 114.554 0.140 0.000 2.838 43 T HA 0.429 nan 4.350 nan 0.000 0.292 43 T C 0.745 174.818 174.700 -1.045 0.000 1.113 43 T CA -1.480 60.457 62.100 -0.272 0.000 1.008 43 T CB 3.159 71.935 68.868 -0.152 0.000 1.259 43 T HN 0.047 8.253 8.240 0.119 0.104 0.520 44 N N 3.265 121.285 118.700 -1.132 0.000 2.094 44 N HA -0.362 nan 4.740 nan 0.000 0.191 44 N C 1.732 176.977 175.510 -0.441 0.000 1.023 44 N CA 3.952 56.479 53.050 -0.872 0.000 0.857 44 N CB -0.040 38.203 38.487 -0.408 0.000 1.013 44 N HN 0.587 8.504 8.380 -0.773 0.000 0.426 45 Q N -3.571 116.052 119.800 -0.294 0.000 2.500 45 Q HA -0.120 nan 4.340 nan 0.000 0.213 45 Q C -0.949 174.975 176.000 -0.127 0.000 0.974 45 Q CA 1.662 57.369 55.803 -0.161 0.000 0.918 45 Q CB -0.297 28.377 28.738 -0.107 0.000 0.980 45 Q HN 0.385 8.485 8.270 -0.291 -0.005 0.505 46 N N -4.545 114.058 118.700 -0.162 0.000 2.926 46 N HA 0.133 nan 4.740 nan 0.000 0.201 46 N C -1.382 174.157 175.510 0.049 0.000 1.419 46 N CA -0.449 52.577 53.050 -0.040 0.000 0.838 46 N CB 0.638 39.132 38.487 0.012 0.000 1.534 46 N HN -0.308 7.652 8.380 -0.305 0.237 0.569 47 Q N 2.396 122.182 119.800 -0.024 0.000 2.631 47 Q HA -0.115 nan 4.340 nan 0.000 0.210 47 Q C 0.331 176.435 176.000 0.174 0.000 1.094 47 Q CA 1.016 56.902 55.803 0.138 0.000 1.055 47 Q CB 0.343 29.147 28.738 0.111 0.000 1.261 47 Q HN -0.111 8.062 8.270 -0.162 0.000 0.615 48 N N -2.926 115.866 118.700 0.154 0.000 2.805 48 N HA -0.361 nan 4.740 nan 0.000 0.216 48 N C -1.007 174.621 175.510 0.197 0.000 0.930 48 N CA 2.417 55.548 53.050 0.136 0.000 1.376 48 N CB -0.639 37.892 38.487 0.073 0.000 0.939 48 N HN 0.527 8.950 8.380 0.072 0.000 0.583 49 N N -0.547 118.295 118.700 0.238 0.000 2.425 49 N HA 0.161 nan 4.740 nan 0.000 0.289 49 N C -2.251 173.314 175.510 0.090 0.000 1.074 49 N CA -0.552 52.565 53.050 0.112 0.000 0.905 49 N CB 2.826 41.304 38.487 -0.016 0.000 1.586 49 N HN -0.326 8.106 8.380 0.244 0.093 0.490 50 Y N -1.325 118.911 120.300 -0.105 0.000 2.301 50 Y HA 0.289 nan 4.550 nan 0.000 0.325 50 Y C -1.129 174.652 175.900 -0.199 0.000 1.203 50 Y CA -1.326 56.533 58.100 -0.401 0.000 1.255 50 Y CB 0.814 38.760 38.460 -0.856 0.000 1.232 50 Y HN 0.110 8.156 8.280 -0.390 0.000 0.501 51 Q N 1.048 120.899 119.800 0.085 0.000 2.308 51 Q HA 0.045 nan 4.340 nan 0.000 0.207 51 Q C -1.287 174.819 176.000 0.176 0.000 1.035 51 Q CA -0.646 55.222 55.803 0.109 0.000 1.008 51 Q CB 1.575 30.357 28.738 0.074 0.000 1.168 51 Q HN 0.480 8.761 8.270 0.017 0.000 0.565 52 E N -0.859 119.430 120.200 0.148 0.000 2.287 52 E HA 0.449 nan 4.350 nan 0.000 0.274 52 E C -1.565 175.126 176.600 0.151 0.000 0.896 52 E CA -0.559 55.934 56.400 0.155 0.000 0.788 52 E CB 1.660 31.464 29.700 0.175 0.000 1.244 52 E HN 0.173 8.602 8.360 0.115 0.000 0.408 53 L N 7.169 128.527 121.223 0.225 0.000 2.333 53 L HA 0.410 nan 4.340 nan 0.000 0.269 53 L C -1.666 175.316 176.870 0.188 0.000 1.010 53 L CA -1.252 53.698 54.840 0.184 0.000 0.818 53 L CB 2.873 45.096 42.059 0.274 0.000 1.306 53 L HN 0.489 8.898 8.230 0.299 0.000 0.430 54 V N -4.203 115.675 119.914 -0.061 0.000 3.103 54 V HA 0.290 nan 4.120 nan 0.000 0.318 54 V C 0.717 176.414 176.094 -0.662 0.000 1.114 54 V CA -2.702 59.486 62.300 -0.187 0.000 1.020 54 V CB 2.339 34.118 31.823 -0.074 0.000 1.085 54 V HN -0.082 8.040 8.190 -0.113 0.000 0.446 55 A N -0.675 121.656 122.820 -0.816 0.000 2.272 55 A HA -0.173 nan 4.320 nan 0.000 0.213 55 A C -0.452 176.708 177.584 -0.706 0.000 1.183 55 A CA 2.066 53.443 52.037 -1.100 0.000 0.719 55 A CB -0.696 17.731 19.000 -0.955 0.000 0.771 55 A HN 0.368 8.210 8.150 -0.513 0.000 0.484 56 D N -0.757 119.364 120.400 -0.465 0.000 2.374 56 D HA 0.172 nan 4.640 nan 0.000 0.240 56 D C -1.602 174.529 176.300 -0.283 0.000 1.229 56 D CA -2.579 51.244 54.000 -0.295 0.000 0.895 56 D CB 0.522 41.214 40.800 -0.180 0.000 1.046 56 D HN -0.532 7.465 8.370 -0.427 0.116 0.498 57 P HA -0.332 nan 4.420 nan 0.000 0.220 57 P C 1.332 178.529 177.300 -0.172 0.000 1.155 57 P CA 2.599 65.561 63.100 -0.230 0.000 0.880 57 P CB 0.006 31.604 31.700 -0.170 0.000 0.790 58 S N -4.444 111.177 115.700 -0.131 0.000 2.353 58 S HA -0.267 nan 4.470 nan 0.000 0.222 58 S C 2.422 176.965 174.600 -0.094 0.000 1.035 58 S CA 3.596 61.740 58.200 -0.092 0.000 1.025 58 S CB -0.530 62.628 63.200 -0.069 0.000 0.902 58 S HN 0.016 8.234 8.310 -0.129 0.015 0.440 59 T N 2.562 117.049 114.554 -0.112 0.000 2.665 59 T HA -0.259 nan 4.350 nan 0.000 0.268 59 T C 2.072 176.712 174.700 -0.099 0.000 1.035 59 T CA 3.764 65.806 62.100 -0.096 0.000 1.151 59 T CB -0.402 68.398 68.868 -0.113 0.000 0.862 59 T HN 0.023 8.430 8.240 -0.127 -0.244 0.438 60 I N -4.690 115.774 120.570 -0.176 0.000 3.251 60 I HA 0.074 nan 4.170 nan 0.000 0.277 60 I C 1.239 177.270 176.117 -0.144 0.000 1.268 60 I CA 2.220 63.396 61.300 -0.206 0.000 1.449 60 I CB 0.456 38.186 38.000 -0.450 0.000 1.083 60 I HN -0.687 7.305 8.210 -0.224 0.083 0.464 61 T N 2.302 116.790 114.554 -0.110 0.000 3.060 61 T HA 0.034 nan 4.350 nan 0.000 0.249 61 T C 0.649 175.337 174.700 -0.020 0.000 1.079 61 T CA 2.266 64.333 62.100 -0.055 0.000 1.013 61 T CB -0.310 68.522 68.868 -0.061 0.000 0.975 61 T HN 0.415 8.434 8.240 -0.126 0.145 0.518 62 N N 1.040 119.726 118.700 -0.022 0.000 2.338 62 N HA 0.192 nan 4.740 nan 0.000 0.251 62 N C -1.854 173.663 175.510 0.010 0.000 1.199 62 N CA -0.096 52.950 53.050 -0.006 0.000 0.879 62 N CB 1.069 39.547 38.487 -0.015 0.000 1.159 62 N HN -0.105 8.095 8.380 -0.041 0.155 0.514 63 S N -0.410 115.309 115.700 0.032 0.000 2.671 63 S HA 0.169 nan 4.470 nan 0.000 0.299 63 S C -0.057 174.592 174.600 0.082 0.000 1.116 63 S CA -1.675 56.561 58.200 0.059 0.000 0.912 63 S CB 2.528 65.777 63.200 0.083 0.000 1.130 63 S HN -0.803 7.461 8.310 0.037 0.068 0.501 64 N N -1.083 117.658 118.700 0.069 0.000 2.635 64 N HA -0.069 nan 4.740 nan 0.000 0.191 64 N C 0.034 175.573 175.510 0.048 0.000 1.155 64 N CA 0.947 54.021 53.050 0.041 0.000 0.927 64 N CB 0.103 38.597 38.487 0.012 0.000 0.976 64 N HN 0.255 8.980 8.380 0.057 -0.311 0.448 65 F N 0.525 120.454 119.950 -0.035 0.000 2.607 65 F HA -0.292 nan 4.527 nan 0.000 0.374 65 F C -0.771 174.983 175.800 -0.077 0.000 1.104 65 F CA 1.511 59.474 58.000 -0.063 0.000 1.296 65 F CB 0.630 39.586 39.000 -0.073 0.000 1.085 65 F HN -0.933 7.431 8.300 0.238 0.079 0.584 66 R N 7.874 128.134 120.500 -0.401 0.000 2.483 66 R HA 0.380 nan 4.340 nan 0.000 0.303 66 R C -0.261 175.909 176.300 -0.218 0.000 0.987 66 R CA -1.090 54.923 56.100 -0.144 0.000 0.881 66 R CB 2.464 32.693 30.300 -0.118 0.000 1.177 66 R HN 0.243 8.253 8.270 -0.965 -0.320 0.451 67 M N 1.817 121.456 119.600 0.065 0.000 2.568 67 M HA -0.013 nan 4.480 nan 0.000 0.226 67 M C -0.681 175.804 176.300 0.309 0.000 1.148 67 M CA 1.502 56.893 55.300 0.152 0.000 1.007 67 M CB 0.151 32.897 32.600 0.243 0.000 1.651 67 M HN 0.386 8.765 8.290 0.149 0.000 0.488 68 D N -3.776 116.719 120.400 0.159 0.000 2.340 68 D HA -0.026 nan 4.640 nan 0.000 0.217 68 D C -0.038 176.333 176.300 0.118 0.000 1.081 68 D CA -0.614 53.470 54.000 0.140 0.000 0.842 68 D CB -0.567 40.284 40.800 0.085 0.000 0.934 68 D HN 0.059 8.413 8.370 0.087 0.068 0.511 69 R N -0.427 120.138 120.500 0.107 0.000 2.942 69 R HA 0.198 nan 4.340 nan 0.000 0.212 69 R C -1.444 174.972 176.300 0.193 0.000 1.562 69 R CA -0.826 55.323 56.100 0.080 0.000 0.941 69 R CB 2.467 32.746 30.300 -0.035 0.000 2.365 69 R HN -0.540 7.603 8.270 0.087 0.179 0.524 70 K N -0.653 119.833 120.400 0.142 0.000 2.527 70 K HA 0.460 nan 4.320 nan 0.000 0.260 70 K C -1.962 174.720 176.600 0.137 0.000 0.937 70 K CA -0.676 55.736 56.287 0.210 0.000 0.826 70 K CB 3.061 35.644 32.500 0.139 0.000 1.359 70 K HN -0.168 8.108 8.250 0.042 0.000 0.434 71 T N 5.805 120.480 114.554 0.202 0.000 2.841 71 T HA 0.804 nan 4.350 nan 0.000 0.283 71 T C -1.500 173.214 174.700 0.023 0.000 1.000 71 T CA -0.678 61.453 62.100 0.052 0.000 0.977 71 T CB 2.029 70.993 68.868 0.160 0.000 0.979 71 T HN 0.659 9.063 8.240 0.272 0.000 0.446 72 R N 2.143 122.553 120.500 -0.149 0.000 2.532 72 R HA 0.827 nan 4.340 nan 0.000 0.297 72 R C -1.590 174.550 176.300 -0.267 0.000 0.984 72 R CA -1.523 54.483 56.100 -0.157 0.000 0.884 72 R CB 3.601 33.791 30.300 -0.184 0.000 1.182 72 R HN 1.008 9.136 8.270 -0.238 0.000 0.442 73 F N 3.165 123.049 119.950 -0.110 0.000 2.422 73 F HA 0.695 nan 4.527 nan 0.000 0.333 73 F C -0.846 174.871 175.800 -0.138 0.000 1.095 73 F CA -0.926 57.022 58.000 -0.086 0.000 1.038 73 F CB 2.894 41.869 39.000 -0.041 0.000 1.156 73 F HN 0.845 9.142 8.300 0.168 0.104 0.483 74 I N 2.527 123.120 120.570 0.037 0.000 2.420 74 I HA 0.401 nan 4.170 nan 0.000 0.282 74 I C -1.397 174.729 176.117 0.016 0.000 1.019 74 I CA -0.716 60.571 61.300 -0.023 0.000 1.130 74 I CB 1.080 39.002 38.000 -0.131 0.000 1.262 74 I HN 0.817 9.048 8.210 0.034 0.000 0.454 75 I N 7.379 128.005 120.570 0.094 0.000 2.315 75 I HA 0.309 nan 4.170 nan 0.000 0.291 75 I C -0.686 175.600 176.117 0.281 0.000 1.006 75 I CA -0.955 60.430 61.300 0.142 0.000 1.265 75 I CB 0.543 38.583 38.000 0.066 0.000 1.387 75 I HN 0.705 8.974 8.210 0.097 0.000 0.475 76 H N 7.154 126.358 119.070 0.223 0.000 2.021 76 H HA 0.088 nan 4.556 nan 0.000 0.333 76 H C -0.203 175.411 175.328 0.478 0.000 1.934 76 H CA -0.296 55.967 56.048 0.358 0.000 1.383 76 H CB 0.663 30.423 29.762 -0.004 0.000 1.670 76 H HN -0.161 8.316 8.280 0.329 0.000 0.533 77 G N -5.333 103.673 108.800 0.344 0.000 2.782 77 G HA2 -0.017 nan 3.960 nan 0.000 0.304 77 G HA3 -0.017 nan 3.960 nan 0.000 0.304 77 G C -2.152 172.872 174.900 0.205 0.000 1.315 77 G CA -1.970 43.345 45.100 0.359 0.000 0.791 77 G HN -0.227 8.373 8.290 0.516 0.000 0.519 78 F N 0.293 120.309 119.950 0.110 0.000 2.413 78 F HA -0.371 nan 4.527 nan 0.000 0.416 78 F C 0.594 176.372 175.800 -0.036 0.000 0.949 78 F CA 0.443 58.462 58.000 0.031 0.000 1.162 78 F CB 0.136 39.214 39.000 0.129 0.000 0.897 78 F HN 0.200 8.813 8.300 0.522 0.000 0.540 79 I N 2.936 123.197 120.570 -0.516 0.000 5.620 79 I HA -0.478 nan 4.170 nan 0.000 0.127 79 I C -1.498 174.475 176.117 -0.240 0.000 1.815 79 I CA 0.950 61.901 61.300 -0.581 0.000 2.038 79 I CB -1.914 35.563 38.000 -0.871 0.000 3.367 79 I HN 0.676 8.540 8.210 -0.395 0.110 0.169 80 D N -1.158 119.137 120.400 -0.176 0.000 2.559 80 D HA 0.319 nan 4.640 nan 0.000 0.250 80 D C -2.539 173.465 176.300 -0.494 0.000 1.135 80 D CA -0.945 52.977 54.000 -0.130 0.000 0.955 80 D CB 4.122 44.991 40.800 0.115 0.000 1.442 80 D HN -0.670 7.538 8.370 -0.213 0.033 0.471 81 K N -3.889 116.057 120.400 -0.756 0.000 2.477 81 K HA 0.356 nan 4.320 nan 0.000 0.255 81 K C 0.355 176.299 176.600 -1.092 0.000 0.952 81 K CA -1.674 53.951 56.287 -1.103 0.000 0.826 81 K CB 2.485 34.690 32.500 -0.493 0.000 1.331 81 K HN -0.152 7.815 8.250 -0.473 0.000 0.437 82 G N 0.348 108.588 108.800 -0.933 0.000 3.186 82 G HA2 -0.060 nan 3.960 nan 0.000 0.214 82 G HA3 -0.060 nan 3.960 nan 0.000 0.214 82 G C -0.686 173.964 174.900 -0.416 0.000 1.222 82 G CA 1.252 46.036 45.100 -0.525 0.000 0.921 82 G HN 0.583 8.767 8.290 -0.744 -0.341 0.504 83 E N -1.509 118.467 120.200 -0.374 0.000 2.228 83 E HA 0.081 nan 4.350 nan 0.000 0.197 83 E C -0.089 176.387 176.600 -0.208 0.000 0.909 83 E CA 0.343 56.619 56.400 -0.206 0.000 0.911 83 E CB 0.979 30.618 29.700 -0.102 0.000 0.887 83 E HN -0.347 7.638 8.360 -0.429 0.118 0.481 84 E N 0.558 120.617 120.200 -0.235 0.000 3.513 84 E HA -0.314 nan 4.350 nan 0.000 0.295 84 E C 0.668 177.132 176.600 -0.227 0.000 0.838 84 E CA 0.775 57.077 56.400 -0.163 0.000 0.995 84 E CB 0.053 29.630 29.700 -0.205 0.000 0.968 84 E HN -0.596 7.613 8.360 -0.252 0.000 0.532 85 D N 6.274 126.662 120.400 -0.022 0.000 2.182 85 D HA -0.274 nan 4.640 nan 0.000 0.201 85 D C 1.283 177.570 176.300 -0.022 0.000 0.986 85 D CA 3.373 57.370 54.000 -0.006 0.000 0.847 85 D CB -0.642 40.209 40.800 0.085 0.000 0.942 85 D HN 0.737 9.164 8.370 0.095 0.000 0.467 86 W N -2.013 119.183 121.300 -0.173 0.000 2.331 86 W HA -0.252 nan 4.660 nan 0.000 0.291 86 W C 0.997 177.341 176.519 -0.292 0.000 1.214 86 W CA 1.270 58.438 57.345 -0.295 0.000 1.228 86 W CB -0.920 28.063 29.460 -0.794 0.000 1.135 86 W HN -0.447 7.792 8.180 0.138 0.023 0.537 87 L N -1.405 119.429 121.223 -0.648 0.000 2.179 87 L HA -0.340 nan 4.340 nan 0.000 0.208 87 L C 2.223 178.891 176.870 -0.337 0.000 1.096 87 L CA 3.125 57.547 54.840 -0.697 0.000 0.779 87 L CB -0.247 41.249 42.059 -0.938 0.000 0.922 87 L HN 0.019 7.708 8.230 -0.860 0.025 0.443 88 S N 0.446 115.977 115.700 -0.282 0.000 2.388 88 S HA -0.238 nan 4.470 nan 0.000 0.223 88 S C 2.170 176.621 174.600 -0.248 0.000 1.034 88 S CA 3.305 61.306 58.200 -0.332 0.000 0.963 88 S CB -0.476 62.562 63.200 -0.270 0.000 0.827 88 S HN -0.020 7.990 8.310 -0.260 0.145 0.481 89 N N 3.983 122.615 118.700 -0.112 0.000 2.036 89 N HA -0.367 nan 4.740 nan 0.000 0.199 89 N C 2.164 177.620 175.510 -0.090 0.000 1.036 89 N CA 3.252 56.273 53.050 -0.047 0.000 0.870 89 N CB -0.691 37.830 38.487 0.056 0.000 1.055 89 N HN 0.132 8.466 8.380 -0.077 0.000 0.436 90 I N -0.811 119.724 120.570 -0.058 0.000 2.335 90 I HA -0.423 nan 4.170 nan 0.000 0.251 90 I C 1.775 177.741 176.117 -0.252 0.000 1.129 90 I CA 3.872 65.133 61.300 -0.064 0.000 1.402 90 I CB -0.360 37.652 38.000 0.020 0.000 1.069 90 I HN -0.524 7.680 8.210 -0.010 0.000 0.424 91 c N -0.895 117.474 118.600 -0.385 0.000 2.457 91 c HA -0.269 nan 4.570 nan 0.000 0.278 91 c C 2.208 175.731 174.090 -0.946 0.000 1.309 91 c CA 3.351 59.234 56.329 -0.743 0.000 1.735 91 c CB -1.695 40.416 42.510 -0.665 0.000 1.992 91 c HN -0.375 7.556 8.230 -0.325 0.104 0.493 92 K N 0.061 120.203 120.400 -0.430 0.000 1.973 92 K HA -0.345 nan 4.320 nan 0.000 0.210 92 K C 2.266 178.783 176.600 -0.137 0.000 1.045 92 K CA 2.660 58.847 56.287 -0.166 0.000 0.937 92 K CB -1.073 31.390 32.500 -0.062 0.000 0.721 92 K HN 0.193 8.132 8.250 -0.334 0.111 0.438 93 N N 0.357 118.982 118.700 -0.125 0.000 2.060 93 N HA -0.370 nan 4.740 nan 0.000 0.195 93 N C 2.355 177.778 175.510 -0.145 0.000 1.028 93 N CA 2.877 55.874 53.050 -0.088 0.000 0.861 93 N CB -0.075 38.370 38.487 -0.070 0.000 1.029 93 N HN -0.103 8.204 8.380 -0.121 0.000 0.428 94 L N -1.305 119.748 121.223 -0.282 0.000 2.081 94 L HA -0.436 nan 4.340 nan 0.000 0.212 94 L C 1.912 178.692 176.870 -0.151 0.000 1.080 94 L CA 3.072 57.725 54.840 -0.311 0.000 0.754 94 L CB -0.242 41.561 42.059 -0.427 0.000 0.893 94 L HN -0.090 7.946 8.230 -0.324 0.000 0.433 95 F N -3.334 116.588 119.950 -0.046 0.000 2.325 95 F HA -0.252 nan 4.527 nan 0.000 0.299 95 F C 1.719 177.512 175.800 -0.011 0.000 1.090 95 F CA 1.786 59.769 58.000 -0.028 0.000 1.392 95 F CB -1.014 37.967 39.000 -0.032 0.000 1.053 95 F HN -0.228 7.689 8.300 -0.450 0.114 0.521 96 K N -0.497 119.992 120.400 0.149 0.000 1.991 96 K HA -0.238 nan 4.320 nan 0.000 0.212 96 K C 1.882 178.536 176.600 0.090 0.000 1.049 96 K CA 2.335 58.682 56.287 0.100 0.000 0.932 96 K CB 0.002 32.543 32.500 0.067 0.000 0.717 96 K HN -0.353 7.837 8.250 0.096 0.118 0.441 97 V N -8.678 111.277 119.914 0.067 0.000 2.667 97 V HA 0.030 nan 4.120 nan 0.000 0.252 97 V C 0.215 176.369 176.094 0.099 0.000 1.065 97 V CA 0.896 63.245 62.300 0.082 0.000 1.083 97 V CB 0.356 32.220 31.823 0.068 0.000 0.692 97 V HN -0.418 7.792 8.190 0.033 0.000 0.468 98 E N -0.797 119.466 120.200 0.106 0.000 2.372 98 E HA 0.123 nan 4.350 nan 0.000 0.279 98 E C -2.142 174.564 176.600 0.177 0.000 0.946 98 E CA -1.442 55.033 56.400 0.124 0.000 0.769 98 E CB 3.339 33.100 29.700 0.102 0.000 1.230 98 E HN -0.332 7.932 8.360 0.118 0.167 0.442 99 S N 2.382 118.166 115.700 0.140 0.000 2.438 99 S HA 0.212 nan 4.470 nan 0.000 0.293 99 S C -1.137 173.540 174.600 0.129 0.000 1.141 99 S CA -0.344 57.932 58.200 0.126 0.000 1.080 99 S CB 0.696 63.933 63.200 0.061 0.000 0.978 99 S HN 0.158 8.538 8.310 0.116 0.000 0.479 100 V N 5.829 125.847 119.914 0.174 0.000 3.225 100 V HA 0.157 nan 4.120 nan 0.000 0.293 100 V C -1.965 174.196 176.094 0.111 0.000 1.405 100 V CA -0.825 61.558 62.300 0.138 0.000 1.038 100 V CB 4.729 36.639 31.823 0.145 0.000 1.123 100 V HN 0.565 9.140 8.190 0.188 -0.272 0.447 101 N N 3.562 122.220 118.700 -0.070 0.000 2.462 101 N HA 0.258 nan 4.740 nan 0.000 0.242 101 N C -1.843 173.598 175.510 -0.114 0.000 1.010 101 N CA -0.632 52.301 53.050 -0.195 0.000 0.939 101 N CB 0.339 38.464 38.487 -0.603 0.000 1.127 101 N HN 0.512 8.841 8.380 -0.085 0.000 0.509 102 c N 5.877 124.499 118.600 0.036 0.000 2.170 102 c HA 0.445 nan 4.570 nan 0.000 0.339 102 c C -0.506 173.582 174.090 -0.003 0.000 1.056 102 c CA -2.150 54.161 56.329 -0.030 0.000 1.535 102 c CB -0.817 41.647 42.510 -0.077 0.000 1.785 102 c HN 0.442 8.784 8.230 0.186 0.000 0.440 103 I N 7.616 128.074 120.570 -0.188 0.000 2.294 103 I HA 0.102 nan 4.170 nan 0.000 0.295 103 I C -0.602 175.467 176.117 -0.081 0.000 1.098 103 I CA -0.507 60.696 61.300 -0.162 0.000 1.277 103 I CB -0.647 37.106 38.000 -0.411 0.000 1.434 103 I HN 0.827 8.836 8.210 -0.335 0.000 0.498 104 C N 8.974 128.259 119.300 -0.024 0.000 2.676 104 C HA 0.141 nan 4.460 nan 0.000 0.416 104 C C -0.313 174.611 174.990 -0.110 0.000 1.299 104 C CA 0.677 59.645 59.018 -0.083 0.000 2.048 104 C CB -0.703 26.982 27.740 -0.093 0.000 2.713 104 C HN 0.235 8.501 8.230 0.061 0.000 0.624 105 V N 4.020 123.882 119.914 -0.087 0.000 2.326 105 V HA 0.264 nan 4.120 nan 0.000 0.281 105 V C -2.022 174.090 176.094 0.031 0.000 1.015 105 V CA -0.724 61.489 62.300 -0.145 0.000 0.823 105 V CB 1.242 32.990 31.823 -0.124 0.000 1.009 105 V HN 0.317 8.471 8.190 -0.061 0.000 0.436 106 D N 7.445 127.803 120.400 -0.069 0.000 2.256 106 D HA 0.386 nan 4.640 nan 0.000 0.250 106 D C -0.837 175.605 176.300 0.236 0.000 1.093 106 D CA -1.561 52.457 54.000 0.031 0.000 0.882 106 D CB 2.561 43.269 40.800 -0.152 0.000 1.185 106 D HN 0.521 8.672 8.370 -0.205 0.096 0.437 107 W N 2.202 123.687 121.300 0.310 0.000 0.773 107 W HA 0.393 nan 4.660 nan 0.000 0.283 107 W C -1.361 175.265 176.519 0.178 0.000 0.839 107 W CA -1.342 56.066 57.345 0.105 0.000 1.712 107 W CB -0.114 29.312 29.460 -0.055 0.000 1.216 107 W HN 0.117 8.564 8.180 0.445 0.000 0.476 108 K N 1.633 122.020 120.400 -0.021 0.000 2.365 108 K HA -0.167 nan 4.320 nan 0.000 0.199 108 K C 1.197 177.780 176.600 -0.029 0.000 1.045 108 K CA 2.723 58.916 56.287 -0.157 0.000 0.962 108 K CB -1.084 31.281 32.500 -0.226 0.000 0.759 108 K HN 0.055 8.381 8.250 0.009 -0.070 0.469 109 G N -1.188 107.662 108.800 0.083 0.000 2.394 109 G HA2 -0.118 nan 3.960 nan 0.000 0.214 109 G HA3 -0.118 nan 3.960 nan 0.000 0.214 109 G C 1.400 176.471 174.900 0.285 0.000 1.176 109 G CA 1.160 46.361 45.100 0.167 0.000 0.786 109 G HN -0.494 7.825 8.290 0.096 0.029 0.533 110 G N 0.735 109.724 108.800 0.314 0.000 2.422 110 G HA2 -0.166 nan 3.960 nan 0.000 0.218 110 G HA3 -0.166 nan 3.960 nan 0.000 0.218 110 G C 1.136 176.183 174.900 0.245 0.000 1.140 110 G CA 1.372 46.662 45.100 0.316 0.000 0.775 110 G HN -0.258 8.091 8.290 0.318 0.131 0.545 111 S N -0.462 115.271 115.700 0.055 0.000 2.527 111 S HA -0.025 nan 4.470 nan 0.000 0.222 111 S C 1.186 175.750 174.600 -0.059 0.000 0.985 111 S CA 1.888 59.953 58.200 -0.224 0.000 0.921 111 S CB 0.124 62.712 63.200 -1.021 0.000 0.772 111 S HN -0.198 7.983 8.310 -0.016 0.119 0.529 112 R N -1.040 119.446 120.500 -0.023 0.000 2.393 112 R HA 0.160 nan 4.340 nan 0.000 0.244 112 R C 0.270 176.617 176.300 0.078 0.000 0.920 112 R CA -0.145 55.930 56.100 -0.041 0.000 1.076 112 R CB -0.161 30.119 30.300 -0.035 0.000 1.119 112 R HN -0.535 7.704 8.270 0.023 0.044 0.524 113 T N -0.124 114.508 114.554 0.130 0.000 3.225 113 T HA 0.031 nan 4.350 nan 0.000 0.347 113 T C -0.320 174.520 174.700 0.235 0.000 1.254 113 T CA -0.752 61.447 62.100 0.164 0.000 0.950 113 T CB 0.737 69.564 68.868 -0.068 0.000 1.873 113 T HN -0.745 7.465 8.240 0.082 0.080 0.563 114 G N -0.318 108.579 108.800 0.161 0.000 2.569 114 G HA2 0.066 nan 3.960 nan 0.000 0.249 114 G HA3 0.066 nan 3.960 nan 0.000 0.249 114 G C -0.371 174.571 174.900 0.070 0.000 1.216 114 G CA -0.560 44.643 45.100 0.171 0.000 0.845 114 G HN -0.094 8.265 8.290 0.114 0.000 0.568 115 Y N 1.639 121.881 120.300 -0.097 0.000 2.070 115 Y HA -0.377 nan 4.550 nan 0.000 0.280 115 Y C 1.439 177.181 175.900 -0.263 0.000 1.148 115 Y CA 3.394 61.180 58.100 -0.524 0.000 1.125 115 Y CB -0.241 37.891 38.460 -0.546 0.000 0.975 115 Y HN 0.159 8.547 8.280 0.180 0.000 0.492 116 T N -3.433 110.892 114.554 -0.381 0.000 2.665 116 T HA -0.359 nan 4.350 nan 0.000 0.268 116 T C 2.631 177.157 174.700 -0.290 0.000 1.035 116 T CA 4.033 65.946 62.100 -0.311 0.000 1.151 116 T CB -0.895 67.906 68.868 -0.113 0.000 0.862 116 T HN 0.002 8.168 8.240 -0.124 0.000 0.438 117 Q N 3.394 123.063 119.800 -0.218 0.000 2.029 117 Q HA -0.341 nan 4.340 nan 0.000 0.209 117 Q C 1.835 177.627 176.000 -0.346 0.000 0.999 117 Q CA 2.553 58.197 55.803 -0.265 0.000 0.857 117 Q CB -0.962 27.633 28.738 -0.238 0.000 0.926 117 Q HN -0.264 7.921 8.270 -0.143 0.000 0.415 118 A N -1.600 121.047 122.820 -0.288 0.000 1.908 118 A HA -0.359 nan 4.320 nan 0.000 0.218 118 A C 2.087 179.579 177.584 -0.152 0.000 1.181 118 A CA 3.198 55.162 52.037 -0.122 0.000 0.627 118 A CB -0.712 18.359 19.000 0.118 0.000 0.818 118 A HN 0.470 8.255 8.150 -0.285 0.194 0.445 119 S N -2.988 112.527 115.700 -0.309 0.000 2.440 119 S HA -0.394 nan 4.470 nan 0.000 0.238 119 S C 2.182 176.739 174.600 -0.072 0.000 1.010 119 S CA 3.294 61.445 58.200 -0.082 0.000 0.972 119 S CB -0.506 62.570 63.200 -0.207 0.000 0.774 119 S HN 0.395 8.380 8.310 -0.542 0.000 0.501 120 Q N 1.497 121.185 119.800 -0.187 0.000 2.123 120 Q HA -0.093 nan 4.340 nan 0.000 0.196 120 Q C 2.171 178.054 176.000 -0.195 0.000 0.958 120 Q CA 2.403 58.108 55.803 -0.164 0.000 0.841 120 Q CB -0.204 28.431 28.738 -0.170 0.000 0.915 120 Q HN -0.055 7.902 8.270 -0.249 0.164 0.455 121 N N 1.282 119.815 118.700 -0.279 0.000 2.309 121 N HA -0.228 nan 4.740 nan 0.000 0.182 121 N C 2.444 177.732 175.510 -0.369 0.000 1.018 121 N CA 2.583 55.441 53.050 -0.320 0.000 0.876 121 N CB -0.675 37.617 38.487 -0.325 0.000 0.972 121 N HN -0.238 7.875 8.380 -0.300 0.087 0.434 122 I N -1.190 119.129 120.570 -0.418 0.000 2.367 122 I HA -0.551 nan 4.170 nan 0.000 0.256 122 I C 1.822 177.772 176.117 -0.277 0.000 1.132 122 I CA 2.810 63.813 61.300 -0.494 0.000 1.397 122 I CB -1.996 35.826 38.000 -0.296 0.000 1.074 122 I HN -0.155 7.824 8.210 -0.345 0.024 0.435 123 R N -0.807 119.600 120.500 -0.155 0.000 2.092 123 R HA -0.263 nan 4.340 nan 0.000 0.231 123 R C 2.768 179.040 176.300 -0.047 0.000 1.119 123 R CA 3.337 59.419 56.100 -0.031 0.000 0.970 123 R CB -0.361 29.952 30.300 0.021 0.000 0.864 123 R HN -0.504 7.642 8.270 -0.155 0.031 0.440 124 I N 0.172 120.590 120.570 -0.254 0.000 2.233 124 I HA -0.429 nan 4.170 nan 0.000 0.243 124 I C 1.383 177.369 176.117 -0.219 0.000 1.093 124 I CA 4.343 65.447 61.300 -0.327 0.000 1.380 124 I CB -0.003 37.736 38.000 -0.435 0.000 1.067 124 I HN 0.068 7.997 8.210 -0.297 0.103 0.413 125 V N -1.020 118.695 119.914 -0.331 0.000 2.343 125 V HA -0.418 nan 4.120 nan 0.000 0.247 125 V C 1.907 177.853 176.094 -0.247 0.000 1.051 125 V CA 4.852 66.916 62.300 -0.392 0.000 1.036 125 V CB -1.327 29.962 31.823 -0.891 0.000 0.654 125 V HN 0.015 7.898 8.190 -0.407 0.062 0.451 126 G N -1.463 107.214 108.800 -0.205 0.000 2.459 126 G HA2 -0.381 nan 3.960 nan 0.000 0.217 126 G HA3 -0.381 nan 3.960 nan 0.000 0.217 126 G C 0.519 175.418 174.900 -0.001 0.000 1.183 126 G CA 2.306 47.353 45.100 -0.089 0.000 0.776 126 G HN 0.377 8.384 8.290 -0.246 0.136 0.552 127 A N 1.427 124.273 122.820 0.045 0.000 1.969 127 A HA -0.212 nan 4.320 nan 0.000 0.218 127 A C 2.500 180.181 177.584 0.162 0.000 1.169 127 A CA 2.785 54.898 52.037 0.126 0.000 0.635 127 A CB -0.709 18.429 19.000 0.229 0.000 0.810 127 A HN 0.152 8.110 8.150 0.012 0.199 0.445 128 E N -0.998 119.292 120.200 0.149 0.000 2.017 128 E HA -0.317 nan 4.350 nan 0.000 0.193 128 E C 2.443 179.295 176.600 0.420 0.000 0.997 128 E CA 3.111 59.699 56.400 0.312 0.000 0.804 128 E CB -0.305 29.575 29.700 0.300 0.000 0.757 128 E HN 0.100 8.373 8.360 0.060 0.122 0.448 129 V N 0.056 120.142 119.914 0.287 0.000 2.392 129 V HA -0.367 nan 4.120 nan 0.000 0.249 129 V C 1.978 178.071 176.094 -0.002 0.000 1.059 129 V CA 4.325 66.701 62.300 0.126 0.000 1.051 129 V CB -1.076 30.660 31.823 -0.145 0.000 0.658 129 V HN -0.080 8.195 8.190 0.141 0.000 0.455 130 A N -0.251 122.606 122.820 0.061 0.000 1.902 130 A HA -0.265 nan 4.320 nan 0.000 0.217 130 A C 1.493 179.185 177.584 0.180 0.000 1.181 130 A CA 3.283 55.369 52.037 0.082 0.000 0.623 130 A CB -0.735 18.321 19.000 0.093 0.000 0.818 130 A HN 0.471 8.550 8.150 0.078 0.118 0.443 131 Y N 0.047 120.396 120.300 0.082 0.000 2.181 131 Y HA -0.372 nan 4.550 nan 0.000 0.288 131 Y C 1.568 177.514 175.900 0.077 0.000 1.146 131 Y CA 1.054 59.196 58.100 0.070 0.000 1.164 131 Y CB -0.297 38.203 38.460 0.066 0.000 0.982 131 Y HN -0.283 8.006 8.280 0.331 0.189 0.515 132 F N -0.506 119.347 119.950 -0.161 0.000 2.095 132 F HA -0.504 nan 4.527 nan 0.000 0.298 132 F C 1.984 177.687 175.800 -0.161 0.000 1.104 132 F CA 4.857 62.665 58.000 -0.320 0.000 1.232 132 F CB -0.159 38.595 39.000 -0.411 0.000 0.987 132 F HN 0.054 8.529 8.300 0.293 0.000 0.475 133 V N -1.587 118.444 119.914 0.196 0.000 2.287 133 V HA -0.575 nan 4.120 nan 0.000 0.248 133 V C 2.041 178.211 176.094 0.127 0.000 1.053 133 V CA 4.337 66.745 62.300 0.181 0.000 1.027 133 V CB -1.228 30.653 31.823 0.096 0.000 0.646 133 V HN -0.267 7.999 8.190 0.126 0.000 0.447 134 E N -1.032 119.220 120.200 0.086 0.000 2.035 134 E HA -0.480 nan 4.350 nan 0.000 0.204 134 E C 2.206 178.801 176.600 -0.007 0.000 1.025 134 E CA 3.376 59.817 56.400 0.068 0.000 0.835 134 E CB -0.599 29.192 29.700 0.151 0.000 0.764 134 E HN -0.322 8.036 8.360 0.106 0.065 0.457 135 V N 0.019 119.839 119.914 -0.156 0.000 2.343 135 V HA -0.298 nan 4.120 nan 0.000 0.247 135 V C 1.952 177.975 176.094 -0.117 0.000 1.051 135 V CA 3.810 65.982 62.300 -0.213 0.000 1.036 135 V CB -0.726 30.823 31.823 -0.457 0.000 0.654 135 V HN -0.193 7.847 8.190 -0.249 0.000 0.451 136 L N -0.016 121.176 121.223 -0.052 0.000 1.971 136 L HA -0.433 nan 4.340 nan 0.000 0.215 136 L C 2.508 179.452 176.870 0.123 0.000 1.072 136 L CA 2.873 57.748 54.840 0.059 0.000 0.758 136 L CB -1.882 40.329 42.059 0.252 0.000 0.889 136 L HN -0.146 8.056 8.230 -0.047 0.000 0.433 137 K N -0.776 119.698 120.400 0.123 0.000 1.991 137 K HA -0.376 nan 4.320 nan 0.000 0.212 137 K C 2.438 179.077 176.600 0.065 0.000 1.049 137 K CA 3.567 59.916 56.287 0.102 0.000 0.932 137 K CB 0.152 32.702 32.500 0.083 0.000 0.717 137 K HN 0.269 8.510 8.250 0.111 0.076 0.441 138 S N -1.591 114.132 115.700 0.038 0.000 2.371 138 S HA -0.044 nan 4.470 nan 0.000 0.219 138 S C 2.018 176.624 174.600 0.010 0.000 1.040 138 S CA 2.741 60.957 58.200 0.026 0.000 0.958 138 S CB 0.420 63.635 63.200 0.026 0.000 0.860 138 S HN 0.153 8.482 8.310 0.031 0.000 0.487 139 S N 1.178 116.868 115.700 -0.017 0.000 2.357 139 S HA -0.142 nan 4.470 nan 0.000 0.221 139 S C 1.303 175.888 174.600 -0.024 0.000 1.031 139 S CA 2.897 61.076 58.200 -0.035 0.000 0.982 139 S CB 0.442 63.593 63.200 -0.083 0.000 0.853 139 S HN -0.419 7.776 8.310 -0.030 0.098 0.458 140 L N -2.152 119.060 121.223 -0.018 0.000 2.354 140 L HA 0.118 nan 4.340 nan 0.000 0.212 140 L C 1.019 177.931 176.870 0.070 0.000 1.091 140 L CA 0.416 55.258 54.840 0.003 0.000 0.828 140 L CB 1.011 43.047 42.059 -0.038 0.000 0.973 140 L HN -0.197 8.021 8.230 -0.020 0.000 0.461 141 G N -2.759 106.096 108.800 0.092 0.000 2.195 141 G HA2 -0.380 nan 3.960 nan 0.000 0.224 141 G HA3 -0.380 nan 3.960 nan 0.000 0.224 141 G C -1.180 173.822 174.900 0.170 0.000 0.990 141 G CA -0.154 45.012 45.100 0.110 0.000 0.639 141 G HN -0.122 8.116 8.290 0.075 0.096 0.514 142 Y N 3.166 123.507 120.300 0.068 0.000 2.637 142 Y HA -0.227 nan 4.550 nan 0.000 0.350 142 Y C -1.413 174.555 175.900 0.114 0.000 1.069 142 Y CA 0.385 58.554 58.100 0.115 0.000 1.397 142 Y CB -0.433 38.127 38.460 0.168 0.000 1.163 142 Y HN -0.495 7.812 8.280 0.280 0.141 0.527 143 S N 7.074 122.665 115.700 -0.181 0.000 2.549 143 S HA 0.159 nan 4.470 nan 0.000 0.286 143 S C 0.219 174.745 174.600 -0.122 0.000 1.314 143 S CA -2.603 55.528 58.200 -0.115 0.000 1.062 143 S CB 1.088 64.224 63.200 -0.106 0.000 0.865 143 S HN 0.203 8.382 8.310 -0.217 0.000 0.498 144 P HA -0.136 nan 4.420 nan 0.000 0.228 144 P C 0.935 178.252 177.300 0.028 0.000 1.151 144 P CA 1.532 64.663 63.100 0.051 0.000 0.770 144 P CB -0.047 31.692 31.700 0.065 0.000 0.786 145 S N 0.205 115.895 115.700 -0.018 0.000 2.377 145 S HA -0.396 nan 4.470 nan 0.000 0.224 145 S C 1.968 176.559 174.600 -0.014 0.000 1.042 145 S CA 3.564 61.755 58.200 -0.016 0.000 1.086 145 S CB -0.297 62.879 63.200 -0.039 0.000 0.995 145 S HN -0.090 8.161 8.310 -0.031 0.040 0.428 146 N N -1.130 117.502 118.700 -0.113 0.000 2.609 146 N HA -0.105 nan 4.740 nan 0.000 0.190 146 N C -1.046 174.521 175.510 0.095 0.000 1.157 146 N CA 0.917 53.915 53.050 -0.086 0.000 0.918 146 N CB 0.047 38.323 38.487 -0.351 0.000 0.978 146 N HN -0.236 8.012 8.380 -0.221 0.000 0.448 147 V N -0.911 119.099 119.914 0.159 0.000 2.546 147 V HA 0.123 nan 4.120 nan 0.000 0.284 147 V C -1.856 174.415 176.094 0.294 0.000 1.050 147 V CA -0.347 62.140 62.300 0.311 0.000 0.981 147 V CB 0.498 32.550 31.823 0.382 0.000 0.990 147 V HN -0.560 7.478 8.190 0.099 0.211 0.474 148 H N 6.851 126.034 119.070 0.189 0.000 2.658 148 H HA 0.541 nan 4.556 nan 0.000 0.337 148 H C -1.798 173.631 175.328 0.168 0.000 1.009 148 H CA -2.165 53.953 56.048 0.117 0.000 1.231 148 H CB 3.096 32.895 29.762 0.063 0.000 1.508 148 H HN 0.801 9.187 8.280 0.351 0.104 0.517 149 V N 7.880 127.975 119.914 0.301 0.000 2.384 149 V HA 0.496 nan 4.120 nan 0.000 0.287 149 V C -1.417 174.694 176.094 0.028 0.000 1.020 149 V CA -0.876 61.506 62.300 0.136 0.000 0.850 149 V CB 1.443 33.309 31.823 0.071 0.000 0.987 149 V HN 0.635 9.039 8.190 0.358 0.000 0.436 150 I N 6.535 127.040 120.570 -0.109 0.000 2.404 150 I HA 0.714 nan 4.170 nan 0.000 0.293 150 I C -1.496 174.591 176.117 -0.050 0.000 0.992 150 I CA -1.324 59.882 61.300 -0.157 0.000 1.149 150 I CB 2.578 40.353 38.000 -0.375 0.000 1.315 150 I HN 0.975 9.136 8.210 -0.082 0.000 0.446 151 G N 4.424 113.202 108.800 -0.036 0.000 2.659 151 G HA2 0.680 nan 3.960 nan 0.000 0.296 151 G HA3 0.680 nan 3.960 nan 0.000 0.296 151 G C -3.169 171.763 174.900 0.052 0.000 1.369 151 G CA -0.676 44.451 45.100 0.045 0.000 0.937 151 G HN 0.512 8.753 8.290 -0.083 0.000 0.485 152 H N 2.315 121.422 119.070 0.063 0.000 2.524 152 H HA 0.628 nan 4.556 nan 0.000 0.353 152 H C -0.181 175.178 175.328 0.052 0.000 1.136 152 H CA -2.150 53.895 56.048 -0.004 0.000 1.193 152 H CB 3.468 33.208 29.762 -0.037 0.000 1.558 152 H HN -0.084 8.373 8.280 0.296 0.000 0.515 153 S N 2.895 118.169 115.700 -0.710 0.000 3.927 153 S HA -0.500 nan 4.470 nan 0.000 0.618 153 S C 1.946 176.382 174.600 -0.274 0.000 2.201 153 S CA 2.961 60.938 58.200 -0.371 0.000 4.160 153 S CB -0.163 62.932 63.200 -0.176 0.000 0.266 153 S HN 0.200 8.076 8.310 -0.722 0.000 0.760 154 L N 1.699 122.871 121.223 -0.085 0.000 2.103 154 L HA -0.320 nan 4.340 nan 0.000 0.215 154 L C 1.879 178.697 176.870 -0.086 0.000 1.080 154 L CA 2.353 57.152 54.840 -0.068 0.000 0.764 154 L CB -0.718 41.456 42.059 0.192 0.000 0.890 154 L HN 0.360 8.610 8.230 0.034 0.000 0.435 155 G N -3.414 105.395 108.800 0.016 0.000 2.450 155 G HA2 -0.386 nan 3.960 nan 0.000 0.220 155 G HA3 -0.386 nan 3.960 nan 0.000 0.220 155 G C 1.222 176.058 174.900 -0.106 0.000 1.130 155 G CA 2.312 47.416 45.100 0.007 0.000 0.760 155 G HN 0.338 8.657 8.290 0.086 0.022 0.557 156 S N 1.956 117.521 115.700 -0.225 0.000 2.368 156 S HA -0.339 nan 4.470 nan 0.000 0.224 156 S C 1.967 176.432 174.600 -0.226 0.000 1.029 156 S CA 4.154 62.195 58.200 -0.266 0.000 0.988 156 S CB -0.554 62.397 63.200 -0.415 0.000 0.838 156 S HN 0.172 8.169 8.310 -0.287 0.141 0.462 157 H N 3.494 122.456 119.070 -0.181 0.000 2.290 157 H HA -0.247 nan 4.556 nan 0.000 0.298 157 H C 2.068 177.347 175.328 -0.081 0.000 1.087 157 H CA 2.747 58.718 56.048 -0.128 0.000 1.291 157 H CB -0.665 28.948 29.762 -0.249 0.000 1.369 157 H HN -0.781 7.149 8.280 -0.575 0.004 0.492 158 A N -1.422 121.379 122.820 -0.032 0.000 1.915 158 A HA -0.462 nan 4.320 nan 0.000 0.220 158 A C 1.973 179.509 177.584 -0.081 0.000 1.198 158 A CA 3.231 55.189 52.037 -0.131 0.000 0.647 158 A CB -1.010 17.812 19.000 -0.297 0.000 0.825 158 A HN -0.082 8.025 8.150 -0.072 0.000 0.456 159 A N -3.022 119.755 122.820 -0.072 0.000 2.019 159 A HA -0.262 nan 4.320 nan 0.000 0.219 159 A C 2.385 179.960 177.584 -0.014 0.000 1.164 159 A CA 2.761 54.765 52.037 -0.055 0.000 0.644 159 A CB -0.657 18.312 19.000 -0.052 0.000 0.805 159 A HN 0.047 8.077 8.150 -0.085 0.069 0.449 160 G N -1.739 107.074 108.800 0.021 0.000 2.421 160 G HA2 -0.316 nan 3.960 nan 0.000 0.217 160 G HA3 -0.316 nan 3.960 nan 0.000 0.217 160 G C 1.692 176.640 174.900 0.081 0.000 1.143 160 G CA 1.810 46.950 45.100 0.066 0.000 0.784 160 G HN -0.086 8.089 8.290 0.016 0.124 0.541 161 E N 2.925 123.174 120.200 0.081 0.000 2.017 161 E HA -0.328 nan 4.350 nan 0.000 0.193 161 E C 2.210 178.842 176.600 0.055 0.000 0.997 161 E CA 2.657 59.110 56.400 0.089 0.000 0.804 161 E CB -0.460 29.277 29.700 0.063 0.000 0.757 161 E HN 0.038 8.340 8.360 0.067 0.098 0.448 162 A N -1.852 120.974 122.820 0.011 0.000 1.948 162 A HA -0.228 nan 4.320 nan 0.000 0.220 162 A C 2.641 180.233 177.584 0.014 0.000 1.177 162 A CA 2.969 55.002 52.037 -0.006 0.000 0.636 162 A CB -0.653 18.299 19.000 -0.079 0.000 0.815 162 A HN 0.322 8.464 8.150 -0.013 0.000 0.449 163 G N -1.852 106.960 108.800 0.020 0.000 2.414 163 G HA2 -0.348 nan 3.960 nan 0.000 0.215 163 G HA3 -0.348 nan 3.960 nan 0.000 0.215 163 G C 0.844 175.775 174.900 0.051 0.000 1.188 163 G CA 1.600 46.721 45.100 0.035 0.000 0.783 163 G HN 0.279 8.385 8.290 0.015 0.192 0.537 164 R N 2.219 122.757 120.500 0.064 0.000 2.097 164 R HA -0.325 nan 4.340 nan 0.000 0.236 164 R C 2.526 178.865 176.300 0.066 0.000 1.135 164 R CA 3.218 59.362 56.100 0.072 0.000 0.934 164 R CB -0.098 30.262 30.300 0.099 0.000 0.846 164 R HN -0.131 7.988 8.270 0.067 0.191 0.431 165 R N -4.343 116.198 120.500 0.068 0.000 2.200 165 R HA -0.152 nan 4.340 nan 0.000 0.234 165 R C 1.280 177.616 176.300 0.058 0.000 1.127 165 R CA 1.981 58.117 56.100 0.061 0.000 0.989 165 R CB -0.822 29.518 30.300 0.066 0.000 0.869 165 R HN 0.158 8.471 8.270 0.072 0.000 0.459 166 T N -6.600 107.988 114.554 0.056 0.000 3.163 166 T HA 0.289 nan 4.350 nan 0.000 0.252 166 T C -0.351 174.380 174.700 0.052 0.000 1.056 166 T CA -1.282 60.852 62.100 0.056 0.000 0.947 166 T CB -0.492 68.408 68.868 0.053 0.000 1.016 166 T HN -0.357 7.735 8.240 0.054 0.180 0.554 167 N N -0.367 118.363 118.700 0.050 0.000 2.741 167 N HA -0.374 nan 4.740 nan 0.000 0.250 167 N C 0.472 176.011 175.510 0.049 0.000 1.115 167 N CA 0.724 53.801 53.050 0.046 0.000 0.724 167 N CB -2.143 36.369 38.487 0.041 0.000 1.090 167 N HN 0.629 8.850 8.380 0.051 0.190 0.558 168 G N -4.493 104.340 108.800 0.054 0.000 2.350 168 G HA2 -0.372 nan 3.960 nan 0.000 0.298 168 G HA3 -0.372 nan 3.960 nan 0.000 0.298 168 G C -0.161 174.775 174.900 0.059 0.000 1.037 168 G CA 1.096 46.231 45.100 0.060 0.000 1.074 168 G HN 0.072 8.367 8.290 0.054 0.027 0.511 169 T N -4.667 109.920 114.554 0.055 0.000 2.985 169 T HA 0.205 nan 4.350 nan 0.000 0.254 169 T C 1.038 175.771 174.700 0.054 0.000 1.021 169 T CA -1.175 60.956 62.100 0.052 0.000 0.957 169 T CB 0.640 69.536 68.868 0.046 0.000 1.047 169 T HN -0.544 7.728 8.240 0.053 0.000 0.511 170 I N -1.204 119.402 120.570 0.059 0.000 2.710 170 I HA 0.036 nan 4.170 nan 0.000 0.286 170 I C 0.617 176.774 176.117 0.066 0.000 1.181 170 I CA 0.030 61.372 61.300 0.071 0.000 1.430 170 I CB 0.574 38.620 38.000 0.077 0.000 1.367 170 I HN -0.929 7.315 8.210 0.057 0.000 0.577 171 E N 5.461 125.704 120.200 0.071 0.000 2.160 171 E HA -0.360 nan 4.350 nan 0.000 0.195 171 E C -0.192 176.436 176.600 0.047 0.000 0.991 171 E CA 2.049 58.486 56.400 0.061 0.000 0.810 171 E CB -0.015 29.719 29.700 0.057 0.000 0.742 171 E HN 0.050 8.461 8.360 0.084 0.000 0.466 172 R N -5.361 115.143 120.500 0.006 0.000 2.579 172 R HA 0.358 nan 4.340 nan 0.000 0.260 172 R C -2.673 173.586 176.300 -0.069 0.000 1.103 172 R CA -0.463 55.553 56.100 -0.140 0.000 0.942 172 R CB 3.666 33.738 30.300 -0.380 0.000 1.251 172 R HN -0.908 7.363 8.270 0.057 0.033 0.450 173 I N 4.089 124.555 120.570 -0.174 0.000 2.533 173 I HA 0.592 nan 4.170 nan 0.000 0.290 173 I C -2.299 173.716 176.117 -0.171 0.000 1.056 173 I CA -1.271 59.983 61.300 -0.076 0.000 1.057 173 I CB 4.259 42.218 38.000 -0.068 0.000 1.240 173 I HN 0.738 8.746 8.210 -0.336 0.000 0.423 174 T N 7.958 122.467 114.554 -0.075 0.000 2.841 174 T HA 0.583 nan 4.350 nan 0.000 0.283 174 T C -1.328 173.289 174.700 -0.138 0.000 1.000 174 T CA -1.269 60.761 62.100 -0.117 0.000 0.977 174 T CB 2.126 70.979 68.868 -0.024 0.000 0.979 174 T HN 0.619 8.850 8.240 -0.014 0.000 0.446 175 G N 2.813 111.515 108.800 -0.163 0.000 2.955 175 G HA2 0.679 nan 3.960 nan 0.000 0.336 175 G HA3 0.679 nan 3.960 nan 0.000 0.336 175 G C -1.638 173.132 174.900 -0.216 0.000 1.264 175 G CA -0.929 44.047 45.100 -0.206 0.000 1.096 175 G HN 0.198 8.394 8.290 -0.156 0.000 0.486 176 L N 5.934 127.059 121.223 -0.164 0.000 2.462 176 L HA -0.135 nan 4.340 nan 0.000 0.283 176 L C -0.993 175.787 176.870 -0.149 0.000 1.166 176 L CA -0.375 54.385 54.840 -0.134 0.000 0.964 176 L CB -1.262 40.745 42.059 -0.087 0.000 1.294 176 L HN 0.358 8.507 8.230 -0.135 0.000 0.449 177 D N 1.965 122.177 120.400 -0.314 0.000 3.508 177 D HA -0.310 nan 4.640 nan 0.000 0.232 177 D C -2.303 173.702 176.300 -0.491 0.000 1.131 177 D CA 0.323 54.055 54.000 -0.447 0.000 1.040 177 D CB 0.044 40.550 40.800 -0.489 0.000 0.879 177 D HN 0.070 8.224 8.370 -0.324 0.021 0.407 178 P HA -0.026 nan 4.420 nan 0.000 0.269 178 P C -2.114 174.988 177.300 -0.330 0.000 1.215 178 P CA -0.067 62.722 63.100 -0.519 0.000 0.780 178 P CB 0.775 32.147 31.700 -0.545 0.000 0.898 179 A N 0.619 123.272 122.820 -0.278 0.000 2.409 179 A HA 0.064 nan 4.320 nan 0.000 0.262 179 A C 0.819 178.515 177.584 0.187 0.000 1.113 179 A CA -0.693 51.352 52.037 0.013 0.000 0.790 179 A CB 0.739 19.759 19.000 0.034 0.000 1.046 179 A HN 0.119 7.936 8.150 -0.555 0.000 0.496 180 E N 5.165 125.485 120.200 0.200 0.000 2.008 180 E HA 0.008 nan 4.350 nan 0.000 0.191 180 E C -1.855 174.947 176.600 0.337 0.000 0.986 180 E CA 3.032 59.570 56.400 0.229 0.000 0.807 180 E CB -0.809 28.982 29.700 0.151 0.000 0.766 180 E HN 0.050 8.514 8.360 0.174 0.000 0.450 181 P HA -0.080 nan 4.420 nan 0.000 0.266 181 P C -1.490 176.060 177.300 0.417 0.000 1.195 181 P CA 0.459 63.740 63.100 0.301 0.000 0.768 181 P CB -0.248 31.583 31.700 0.219 0.000 0.838 182 C N -1.816 117.572 119.300 0.148 0.000 3.467 182 C HA -0.194 nan 4.460 nan 0.000 0.268 182 C C -0.773 173.910 174.990 -0.511 0.000 1.451 182 C CA 0.330 59.262 59.018 -0.143 0.000 2.039 182 C CB -2.932 24.652 27.740 -0.260 0.000 1.342 182 C HN 0.435 8.736 8.230 0.119 0.000 0.574 183 F N -3.121 116.805 119.950 -0.039 0.000 2.743 183 F HA 0.130 nan 4.527 nan 0.000 0.356 183 F C -0.780 174.992 175.800 -0.046 0.000 0.845 183 F CA 0.563 58.471 58.000 -0.155 0.000 1.058 183 F CB 1.316 40.089 39.000 -0.378 0.000 0.952 183 F HN 0.099 8.505 8.300 0.244 0.040 0.620 184 Q N 1.213 121.143 119.800 0.217 0.000 2.307 184 Q HA -0.035 nan 4.340 nan 0.000 0.259 184 Q C -0.078 175.968 176.000 0.076 0.000 0.998 184 Q CA 0.580 56.472 55.803 0.148 0.000 0.923 184 Q CB 0.423 29.251 28.738 0.149 0.000 1.196 184 Q HN -0.379 8.051 8.270 0.266 0.000 0.416 185 G N 4.835 113.665 108.800 0.050 0.000 2.145 185 G HA2 -0.245 nan 3.960 nan 0.000 0.203 185 G HA3 -0.245 nan 3.960 nan 0.000 0.203 185 G C -1.620 173.267 174.900 -0.021 0.000 1.096 185 G CA -0.496 44.610 45.100 0.010 0.000 1.282 185 G HN -0.304 8.024 8.290 0.063 0.000 0.474 186 T N 2.260 116.775 114.554 -0.065 0.000 0.588 186 T HA -0.349 nan 4.350 nan 0.000 0.770 186 T C -2.198 172.433 174.700 -0.114 0.000 0.992 186 T CA -0.713 61.314 62.100 -0.121 0.000 4.052 186 T CB -0.847 67.920 68.868 -0.169 0.000 2.288 186 T HN 0.168 8.369 8.240 -0.065 0.000 0.397 187 P HA 0.002 nan 4.420 nan 0.000 0.270 187 P C 0.624 177.854 177.300 -0.117 0.000 1.227 187 P CA -0.891 62.130 63.100 -0.133 0.000 0.788 187 P CB 0.624 32.216 31.700 -0.179 0.000 0.926 188 E N -0.419 119.739 120.200 -0.070 0.000 2.233 188 E HA -0.293 nan 4.350 nan 0.000 0.210 188 E C 0.545 177.106 176.600 -0.065 0.000 1.046 188 E CA 2.629 59.007 56.400 -0.038 0.000 0.844 188 E CB -0.425 29.261 29.700 -0.023 0.000 0.741 188 E HN 0.266 8.591 8.360 -0.058 0.000 0.465 189 L N -1.789 119.340 121.223 -0.156 0.000 2.955 189 L HA -0.024 nan 4.340 nan 0.000 0.238 189 L C -0.934 175.639 176.870 -0.496 0.000 1.359 189 L CA 0.194 54.880 54.840 -0.258 0.000 1.214 189 L CB -0.756 41.108 42.059 -0.325 0.000 1.600 189 L HN -0.605 7.493 8.230 -0.174 0.027 0.442 190 V N -2.357 117.407 119.914 -0.251 0.000 3.417 190 V HA 0.097 nan 4.120 nan 0.000 0.196 190 V C -0.600 175.512 176.094 0.030 0.000 1.508 190 V CA 0.852 63.043 62.300 -0.181 0.000 1.178 190 V CB 2.185 33.833 31.823 -0.292 0.000 1.135 190 V HN 0.008 8.009 8.190 -0.147 0.100 0.526 191 R N -1.309 119.210 120.500 0.032 0.000 2.553 191 R HA 0.220 nan 4.340 nan 0.000 0.263 191 R C -0.336 176.102 176.300 0.231 0.000 1.066 191 R CA -1.501 54.693 56.100 0.157 0.000 1.135 191 R CB 1.078 31.484 30.300 0.177 0.000 1.148 191 R HN -0.648 7.604 8.270 -0.029 0.000 0.558 192 L N 1.395 122.843 121.223 0.375 0.000 2.483 192 L HA -0.181 nan 4.340 nan 0.000 0.276 192 L C -0.842 176.104 176.870 0.126 0.000 1.213 192 L CA 0.959 55.901 54.840 0.171 0.000 0.843 192 L CB 0.496 42.586 42.059 0.052 0.000 1.107 192 L HN -0.221 8.413 8.230 0.672 0.000 0.487 193 D N 1.149 121.608 120.400 0.097 0.000 2.798 193 D HA 0.134 nan 4.640 nan 0.000 0.265 193 D C -2.387 173.985 176.300 0.121 0.000 1.223 193 D CA -1.211 52.850 54.000 0.102 0.000 0.743 193 D CB 0.208 41.058 40.800 0.082 0.000 1.276 193 D HN -0.522 7.969 8.370 0.084 -0.071 0.421 194 P HA -0.018 nan 4.420 nan 0.000 0.228 194 P C 0.240 177.686 177.300 0.244 0.000 1.151 194 P CA 1.689 64.961 63.100 0.286 0.000 0.770 194 P CB -0.070 31.749 31.700 0.199 0.000 0.786 195 S N -1.879 113.901 115.700 0.133 0.000 2.453 195 S HA -0.237 nan 4.470 nan 0.000 0.231 195 S C 1.015 175.672 174.600 0.095 0.000 1.005 195 S CA 2.612 60.873 58.200 0.101 0.000 0.949 195 S CB -0.156 63.082 63.200 0.064 0.000 0.774 195 S HN -0.493 8.043 8.310 0.106 -0.163 0.510 196 D N 0.213 120.667 120.400 0.090 0.000 2.347 196 D HA -0.016 nan 4.640 nan 0.000 0.215 196 D C -1.397 174.940 176.300 0.061 0.000 0.976 196 D CA 1.005 55.047 54.000 0.070 0.000 0.884 196 D CB 0.069 40.907 40.800 0.063 0.000 0.915 196 D HN -0.253 8.118 8.370 0.101 0.059 0.526 197 A N -3.923 118.940 122.820 0.072 0.000 2.581 197 A HA 0.299 nan 4.320 nan 0.000 0.290 197 A C -1.582 176.060 177.584 0.096 0.000 1.119 197 A CA -0.644 51.429 52.037 0.060 0.000 0.670 197 A CB 2.012 21.022 19.000 0.017 0.000 1.280 197 A HN -0.941 7.229 8.150 0.103 0.042 0.425 198 K N -2.335 118.121 120.400 0.093 0.000 2.360 198 K HA -0.157 nan 4.320 nan 0.000 0.201 198 K C -0.659 176.048 176.600 0.178 0.000 1.046 198 K CA 2.301 58.668 56.287 0.135 0.000 0.945 198 K CB 0.818 33.378 32.500 0.100 0.000 0.750 198 K HN 0.161 8.456 8.250 0.074 0.000 0.464 199 F N -3.493 116.337 119.950 -0.199 0.000 2.683 199 F HA -0.006 nan 4.527 nan 0.000 0.333 199 F C -3.222 172.299 175.800 -0.464 0.000 1.160 199 F CA -1.693 55.977 58.000 -0.549 0.000 1.099 199 F CB 2.050 40.873 39.000 -0.294 0.000 1.344 199 F HN -0.681 7.580 8.300 0.016 0.049 0.534 200 V N 8.103 127.503 119.914 -0.858 0.000 2.325 200 V HA 0.421 nan 4.120 nan 0.000 0.280 200 V C -2.144 173.653 176.094 -0.495 0.000 1.016 200 V CA -1.509 60.475 62.300 -0.526 0.000 0.818 200 V CB 1.194 32.951 31.823 -0.110 0.000 1.019 200 V HN -0.094 7.306 8.190 -1.317 0.000 0.434 201 D N 5.873 125.853 120.400 -0.701 0.000 2.349 201 D HA 0.460 nan 4.640 nan 0.000 0.232 201 D C -1.020 175.225 176.300 -0.091 0.000 1.071 201 D CA -1.546 52.288 54.000 -0.277 0.000 0.832 201 D CB 1.688 42.312 40.800 -0.293 0.000 1.086 201 D HN -0.126 7.751 8.370 -0.821 0.000 0.504 202 V N 3.065 123.019 119.914 0.067 0.000 2.547 202 V HA 0.649 nan 4.120 nan 0.000 0.299 202 V C -1.343 174.802 176.094 0.085 0.000 1.040 202 V CA -1.107 61.188 62.300 -0.008 0.000 0.913 202 V CB 2.222 34.019 31.823 -0.043 0.000 0.992 202 V HN 0.117 8.420 8.190 0.187 0.000 0.449 203 I N 4.024 124.544 120.570 -0.084 0.000 2.355 203 I HA 0.418 nan 4.170 nan 0.000 0.288 203 I C -1.280 174.719 176.117 -0.196 0.000 0.999 203 I CA -0.925 60.330 61.300 -0.075 0.000 1.163 203 I CB 1.859 39.779 38.000 -0.132 0.000 1.316 203 I HN 0.397 8.504 8.210 -0.171 0.000 0.454 204 H N 8.910 127.750 119.070 -0.383 0.000 2.685 204 H HA 0.261 nan 4.556 nan 0.000 0.286 204 H C -0.408 174.716 175.328 -0.340 0.000 1.102 204 H CA -0.207 55.535 56.048 -0.510 0.000 1.254 204 H CB 0.339 29.446 29.762 -1.092 0.000 1.397 204 H HN 0.436 8.673 8.280 -0.073 0.000 0.473 205 T N 0.430 114.874 114.554 -0.184 0.000 3.132 205 T HA 0.140 nan 4.350 nan 0.000 0.274 205 T C -0.768 173.845 174.700 -0.146 0.000 1.011 205 T CA -0.955 61.064 62.100 -0.136 0.000 0.899 205 T CB 1.010 69.751 68.868 -0.212 0.000 1.089 205 T HN 0.041 8.222 8.240 -0.263 -0.098 0.543 206 D N 0.612 120.921 120.400 -0.153 0.000 3.279 206 D HA 0.116 nan 4.640 nan 0.000 0.336 206 D C -1.758 174.496 176.300 -0.077 0.000 1.512 206 D CA -0.432 53.499 54.000 -0.115 0.000 0.754 206 D CB 0.728 41.455 40.800 -0.123 0.000 1.278 206 D HN -0.571 7.850 8.370 -0.176 -0.157 0.553 207 A N -0.823 121.984 122.820 -0.021 0.000 2.307 207 A HA -0.014 nan 4.320 nan 0.000 0.271 207 A C -1.293 176.311 177.584 0.033 0.000 1.188 207 A CA 0.602 52.667 52.037 0.047 0.000 0.810 207 A CB 0.394 19.485 19.000 0.150 0.000 1.123 207 A HN -0.649 7.493 8.150 -0.014 0.000 0.509 208 A N -3.021 119.834 122.820 0.058 0.000 2.435 208 A HA -0.075 nan 4.320 nan 0.000 0.686 208 A C -2.510 175.071 177.584 -0.005 0.000 0.138 208 A CA -0.246 51.813 52.037 0.037 0.000 0.025 208 A CB -0.830 18.195 19.000 0.041 0.000 3.974 208 A HN 0.035 8.238 8.150 0.087 0.000 0.548 209 P HA 0.295 nan 4.420 nan 0.000 0.288 209 P C -0.450 176.833 177.300 -0.027 0.000 1.267 209 P CA -1.550 61.551 63.100 0.002 0.000 0.815 209 P CB 0.885 32.595 31.700 0.017 0.000 0.989 210 I N 2.069 122.627 120.570 -0.020 0.000 2.181 210 I HA -0.434 nan 4.170 nan 0.000 0.247 210 I C -0.004 176.099 176.117 -0.022 0.000 1.081 210 I CA 2.562 63.845 61.300 -0.029 0.000 1.340 210 I CB 0.136 38.153 38.000 0.028 0.000 1.036 210 I HN -0.194 8.157 8.210 0.005 -0.137 0.417 211 I N -2.896 117.673 120.570 -0.001 0.000 2.359 211 I HA 0.134 nan 4.170 nan 0.000 0.294 211 I C -1.901 174.214 176.117 -0.003 0.000 0.987 211 I CA -1.477 59.824 61.300 0.001 0.000 1.225 211 I CB 0.959 38.967 38.000 0.014 0.000 1.366 211 I HN -0.470 7.731 8.210 0.007 0.013 0.466 212 P HA 0.196 nan 4.420 nan 0.000 0.289 212 P C -1.464 175.820 177.300 -0.026 0.000 1.599 212 P CA -0.241 62.854 63.100 -0.010 0.000 1.239 212 P CB 0.450 32.150 31.700 -0.000 0.000 1.581 213 N N 0.388 119.062 118.700 -0.043 0.000 2.214 213 N HA 0.015 nan 4.740 nan 0.000 0.214 213 N C 0.270 175.705 175.510 -0.126 0.000 1.132 213 N CA -0.351 52.660 53.050 -0.065 0.000 0.856 213 N CB 0.470 38.928 38.487 -0.048 0.000 1.020 213 N HN -0.616 7.663 8.380 -0.039 0.078 0.509 214 L N -1.481 119.654 121.223 -0.148 0.000 3.598 214 L HA -0.306 nan 4.340 nan 0.000 0.422 214 L C -0.815 175.723 176.870 -0.554 0.000 1.262 214 L CA 0.700 55.378 54.840 -0.270 0.000 0.889 214 L CB -2.003 39.921 42.059 -0.226 0.000 1.857 214 L HN -0.178 7.853 8.230 -0.100 0.138 0.858 215 G N -3.229 105.339 108.800 -0.387 0.000 2.320 215 G HA2 0.103 nan 3.960 nan 0.000 0.300 215 G HA3 0.103 nan 3.960 nan 0.000 0.300 215 G C -0.606 174.083 174.900 -0.350 0.000 1.126 215 G CA -0.626 44.227 45.100 -0.412 0.000 0.896 215 G HN -0.910 7.245 8.290 -0.226 0.000 0.436 216 F N 2.094 122.088 119.950 0.073 0.000 2.811 216 F HA -0.016 nan 4.527 nan 0.000 0.301 216 F C -0.038 175.817 175.800 0.092 0.000 1.151 216 F CA -1.189 56.873 58.000 0.103 0.000 1.412 216 F CB -0.378 38.716 39.000 0.157 0.000 1.113 216 F HN -0.410 7.605 8.300 -0.800 -0.195 0.579 217 G N -1.854 106.988 108.800 0.070 0.000 2.488 217 G HA2 0.383 nan 3.960 nan 0.000 0.318 217 G HA3 0.383 nan 3.960 nan 0.000 0.318 217 G C -2.042 172.849 174.900 -0.015 0.000 1.188 217 G CA -1.483 43.578 45.100 -0.066 0.000 0.944 217 G HN -0.462 7.740 8.290 -0.008 0.083 0.495 218 M N 0.217 119.781 119.600 -0.060 0.000 2.080 218 M HA 0.196 nan 4.480 nan 0.000 0.350 218 M C 0.050 176.459 176.300 0.181 0.000 1.173 218 M CA -0.552 54.769 55.300 0.035 0.000 1.052 218 M CB 1.268 33.846 32.600 -0.038 0.000 1.577 218 M HN 0.007 8.186 8.290 -0.186 0.000 0.455 219 S N 6.410 122.218 115.700 0.180 0.000 2.354 219 S HA -0.364 nan 4.470 nan 0.000 0.219 219 S C 0.594 175.357 174.600 0.273 0.000 1.035 219 S CA 2.153 60.489 58.200 0.227 0.000 1.037 219 S CB -0.063 63.230 63.200 0.154 0.000 0.956 219 S HN 0.662 9.096 8.310 0.133 -0.044 0.428 220 Q N 1.050 120.977 119.800 0.211 0.000 2.636 220 Q HA -0.246 nan 4.340 nan 0.000 0.384 220 Q C 0.179 176.359 176.000 0.300 0.000 1.200 220 Q CA 0.922 56.847 55.803 0.203 0.000 1.120 220 Q CB 0.707 29.542 28.738 0.161 0.000 1.170 220 Q HN -0.309 8.437 8.270 0.170 -0.374 0.445 221 T N 0.582 115.274 114.554 0.231 0.000 2.689 221 T HA -0.014 nan 4.350 nan 0.000 0.308 221 T C -1.644 173.190 174.700 0.224 0.000 1.021 221 T CA -0.597 61.658 62.100 0.258 0.000 0.973 221 T CB 0.556 69.529 68.868 0.175 0.000 1.113 221 T HN 0.008 8.349 8.240 0.169 0.000 0.522 222 V N -1.832 118.206 119.914 0.207 0.000 3.045 222 V HA 0.042 nan 4.120 nan 0.000 0.261 222 V C -0.638 175.556 176.094 0.167 0.000 1.836 222 V CA 0.176 62.564 62.300 0.148 0.000 0.950 222 V CB 3.575 35.453 31.823 0.093 0.000 1.363 222 V HN -0.338 8.128 8.190 0.241 -0.131 0.454 223 G N 2.333 111.236 108.800 0.172 0.000 2.916 223 G HA2 -0.234 nan 3.960 nan 0.000 0.533 223 G HA3 -0.234 nan 3.960 nan 0.000 0.533 223 G C -0.178 174.951 174.900 0.382 0.000 1.516 223 G CA 0.292 45.548 45.100 0.259 0.000 0.944 223 G HN 0.224 8.605 8.290 0.151 0.000 0.555 224 H N 0.915 120.099 119.070 0.190 0.000 2.267 224 H HA -0.088 nan 4.556 nan 0.000 0.302 224 H C 1.325 176.816 175.328 0.272 0.000 1.056 224 H CA 1.615 57.816 56.048 0.256 0.000 1.269 224 H CB 0.391 30.388 29.762 0.392 0.000 1.385 224 H HN 0.376 8.902 8.280 0.588 0.107 0.501 225 L N -2.353 119.158 121.223 0.481 0.000 2.371 225 L HA 0.051 nan 4.340 nan 0.000 0.272 225 L C -1.054 175.933 176.870 0.195 0.000 1.124 225 L CA 0.310 55.302 54.840 0.252 0.000 0.816 225 L CB 0.410 42.550 42.059 0.134 0.000 1.129 225 L HN -0.654 7.928 8.230 0.587 0.000 0.448 226 D N 1.784 122.248 120.400 0.107 0.000 2.363 226 D HA 0.319 nan 4.640 nan 0.000 0.258 226 D C -0.835 175.603 176.300 0.230 0.000 1.259 226 D CA -0.360 53.780 54.000 0.234 0.000 0.921 226 D CB 1.633 42.609 40.800 0.293 0.000 1.201 226 D HN 0.566 9.015 8.370 0.133 0.000 0.524 227 F N 2.257 122.281 119.950 0.123 0.000 2.427 227 F HA 0.272 nan 4.527 nan 0.000 0.352 227 F C -0.390 175.407 175.800 -0.005 0.000 1.100 227 F CA -0.117 57.919 58.000 0.061 0.000 1.191 227 F CB 0.973 39.942 39.000 -0.051 0.000 1.128 227 F HN 0.215 8.953 8.300 0.730 0.000 0.533 228 F N 1.935 121.776 119.950 -0.181 0.000 2.389 228 F HA 0.473 nan 4.527 nan 0.000 0.327 228 F C -2.167 173.537 175.800 -0.160 0.000 1.204 228 F CA -3.455 54.412 58.000 -0.221 0.000 1.209 228 F CB -0.605 38.131 39.000 -0.440 0.000 1.460 228 F HN 0.655 9.052 8.300 0.162 0.000 0.537 229 P HA -0.084 nan 4.420 nan 0.000 0.266 229 P C -0.167 177.126 177.300 -0.013 0.000 1.195 229 P CA 0.259 63.372 63.100 0.022 0.000 0.768 229 P CB 0.168 31.818 31.700 -0.083 0.000 0.838 230 N N 0.990 119.679 118.700 -0.017 0.000 2.693 230 N HA -0.552 nan 4.740 nan 0.000 0.249 230 N C -0.066 175.118 175.510 -0.544 0.000 1.119 230 N CA 1.402 54.402 53.050 -0.084 0.000 0.717 230 N CB -1.438 37.083 38.487 0.056 0.000 1.071 230 N HN 0.802 9.228 8.380 0.077 0.000 0.555 231 G N -5.638 102.654 108.800 -0.846 0.000 2.179 231 G HA2 -0.428 nan 3.960 nan 0.000 0.260 231 G HA3 -0.428 nan 3.960 nan 0.000 0.260 231 G C 0.452 175.260 174.900 -0.153 0.000 0.977 231 G CA 0.492 44.971 45.100 -1.036 0.000 0.641 231 G HN 0.412 8.396 8.290 -0.418 0.055 0.533 232 G N -0.832 107.954 108.800 -0.024 0.000 2.358 232 G HA2 -0.415 nan 3.960 nan 0.000 0.224 232 G HA3 -0.415 nan 3.960 nan 0.000 0.224 232 G C 0.080 175.013 174.900 0.055 0.000 1.073 232 G CA 0.597 45.773 45.100 0.127 0.000 0.635 232 G HN 0.436 8.492 8.290 -0.092 0.178 0.509 233 K N 1.323 121.748 120.400 0.041 0.000 2.284 233 K HA 0.015 nan 4.320 nan 0.000 0.198 233 K C 0.037 176.641 176.600 0.006 0.000 1.048 233 K CA 0.777 57.081 56.287 0.029 0.000 0.987 233 K CB 0.686 33.215 32.500 0.048 0.000 0.800 233 K HN -0.507 7.677 8.250 0.023 0.080 0.486 234 Q N -1.924 117.886 119.800 0.017 0.000 2.786 234 Q HA 0.110 nan 4.340 nan 0.000 0.240 234 Q C -1.067 174.964 176.000 0.051 0.000 0.928 234 Q CA -0.873 54.947 55.803 0.028 0.000 0.721 234 Q CB 1.701 30.468 28.738 0.048 0.000 1.318 234 Q HN -0.312 7.965 8.270 0.012 0.000 0.474 235 M N 4.827 124.456 119.600 0.047 0.000 2.238 235 M HA 0.159 nan 4.480 nan 0.000 0.350 235 M C -1.598 174.772 176.300 0.116 0.000 1.321 235 M CA -3.626 51.734 55.300 0.101 0.000 1.097 235 M CB -1.049 31.596 32.600 0.075 0.000 1.713 235 M HN 0.199 8.764 8.290 0.015 -0.266 0.455 236 P HA 0.018 nan 4.420 nan 0.000 0.275 236 P C 0.035 177.440 177.300 0.175 0.000 1.227 236 P CA 0.311 63.504 63.100 0.156 0.000 0.781 236 P CB 0.424 32.229 31.700 0.174 0.000 0.906 237 G N 0.712 109.592 108.800 0.132 0.000 2.144 237 G HA2 -0.195 nan 3.960 nan 0.000 0.218 237 G HA3 -0.195 nan 3.960 nan 0.000 0.218 237 G C -0.024 174.933 174.900 0.095 0.000 0.988 237 G CA 0.227 45.402 45.100 0.126 0.000 0.659 237 G HN 0.262 8.619 8.290 0.112 0.000 0.522 238 c N -1.080 117.564 118.600 0.073 0.000 3.512 238 c HA 0.261 nan 4.570 nan 0.000 0.276 238 c C -1.122 172.989 174.090 0.035 0.000 1.592 238 c CA -0.038 56.317 56.329 0.043 0.000 1.803 238 c CB -0.205 42.314 42.510 0.015 0.000 2.996 238 c HN -0.471 7.753 8.230 0.080 0.053 0.590 239 Q N -1.556 118.273 119.800 0.049 0.000 2.172 239 Q HA 0.106 nan 4.340 nan 0.000 0.217 239 Q C -0.761 175.272 176.000 0.055 0.000 0.832 239 Q CA -0.304 55.526 55.803 0.044 0.000 1.010 239 Q CB -0.314 28.452 28.738 0.045 0.000 1.133 239 Q HN 0.024 8.330 8.270 0.060 0.000 0.489 240 K N 0.135 120.574 120.400 0.064 0.000 2.336 240 K HA -0.124 nan 4.320 nan 0.000 0.262 240 K C -0.499 176.151 176.600 0.082 0.000 0.992 240 K CA 0.275 56.603 56.287 0.069 0.000 0.927 240 K CB 0.406 32.949 32.500 0.073 0.000 0.956 240 K HN -0.373 7.844 8.250 0.066 0.073 0.495 241 N N 1.560 120.303 118.700 0.072 0.000 2.344 241 N HA -0.129 nan 4.740 nan 0.000 0.236 241 N C 1.190 176.762 175.510 0.103 0.000 1.279 241 N CA -0.010 53.087 53.050 0.079 0.000 0.882 241 N CB 0.376 38.895 38.487 0.053 0.000 1.110 241 N HN 0.043 8.458 8.380 0.058 0.000 0.436 242 I N -0.308 120.331 120.570 0.116 0.000 2.163 242 I HA -0.440 nan 4.170 nan 0.000 0.243 242 I C 2.091 178.217 176.117 0.013 0.000 1.085 242 I CA 3.344 64.719 61.300 0.125 0.000 1.347 242 I CB -1.001 37.035 38.000 0.059 0.000 1.044 242 I HN 0.394 8.665 8.210 0.102 0.000 0.408 243 L N -0.347 120.875 121.223 -0.001 0.000 1.990 243 L HA -0.365 nan 4.340 nan 0.000 0.213 243 L C 2.628 179.502 176.870 0.006 0.000 1.072 243 L CA 3.501 58.331 54.840 -0.016 0.000 0.755 243 L CB -1.343 40.713 42.059 -0.005 0.000 0.889 243 L HN -0.079 8.160 8.230 0.015 0.000 0.432 244 S N -1.662 114.056 115.700 0.029 0.000 2.402 244 S HA -0.308 nan 4.470 nan 0.000 0.229 244 S C 2.169 176.801 174.600 0.054 0.000 1.021 244 S CA 2.909 61.132 58.200 0.037 0.000 0.974 244 S CB -0.475 62.749 63.200 0.040 0.000 0.800 244 S HN 0.215 8.902 8.310 0.036 -0.355 0.484 245 Q N 0.736 120.586 119.800 0.084 0.000 2.079 245 Q HA -0.167 nan 4.340 nan 0.000 0.200 245 Q C 2.311 178.371 176.000 0.101 0.000 0.974 245 Q CA 2.119 57.992 55.803 0.118 0.000 0.840 245 Q CB -0.001 28.863 28.738 0.210 0.000 0.898 245 Q HN -0.483 7.842 8.270 0.093 0.000 0.430 246 I N -0.570 120.033 120.570 0.056 0.000 2.233 246 I HA -0.335 nan 4.170 nan 0.000 0.243 246 I C 2.073 178.204 176.117 0.024 0.000 1.093 246 I CA 3.740 65.045 61.300 0.009 0.000 1.380 246 I CB 0.789 38.716 38.000 -0.121 0.000 1.067 246 I HN -0.161 8.071 8.210 0.037 0.000 0.413 247 V N -1.418 118.505 119.914 0.015 0.000 3.273 247 V HA -0.087 nan 4.120 nan 0.000 0.379 247 V C -0.390 175.724 176.094 0.033 0.000 1.256 247 V CA -0.956 61.358 62.300 0.023 0.000 1.455 247 V CB -2.894 28.936 31.823 0.012 0.000 1.247 247 V HN -0.374 7.820 8.190 0.005 0.000 0.469 248 D N 1.784 122.210 120.400 0.043 0.000 2.344 248 D HA 0.060 nan 4.640 nan 0.000 0.244 248 D C 0.996 177.323 176.300 0.044 0.000 1.134 248 D CA 0.401 54.427 54.000 0.044 0.000 0.930 248 D CB 2.207 43.037 40.800 0.050 0.000 1.175 248 D HN -0.600 7.710 8.370 0.048 0.089 0.437 249 I N -3.988 116.606 120.570 0.039 0.000 3.241 249 I HA -0.149 nan 4.170 nan 0.000 0.280 249 I C -0.418 175.727 176.117 0.046 0.000 1.320 249 I CA 2.329 63.651 61.300 0.037 0.000 1.413 249 I CB -0.086 37.930 38.000 0.027 0.000 1.060 249 I HN 0.391 8.623 8.210 0.037 0.000 0.500 250 D N -0.617 119.817 120.400 0.057 0.000 2.462 250 D HA 0.099 nan 4.640 nan 0.000 0.221 250 D C 0.527 176.877 176.300 0.084 0.000 1.173 250 D CA 0.008 54.050 54.000 0.069 0.000 0.831 250 D CB -0.154 40.692 40.800 0.076 0.000 1.001 250 D HN -0.437 7.889 8.370 0.056 0.078 0.499 251 G N -0.225 108.622 108.800 0.079 0.000 2.603 251 G HA2 -0.271 nan 3.960 nan 0.000 0.686 251 G HA3 -0.271 nan 3.960 nan 0.000 0.686 251 G C -2.226 172.743 174.900 0.115 0.000 1.286 251 G CA -0.606 44.552 45.100 0.097 0.000 0.871 251 G HN -0.172 8.091 8.290 0.066 0.066 0.568 252 I N -0.806 119.846 120.570 0.137 0.000 3.883 252 I HA 0.186 nan 4.170 nan 0.000 0.326 252 I C 0.709 176.978 176.117 0.254 0.000 1.283 252 I CA -0.478 60.905 61.300 0.139 0.000 1.161 252 I CB -0.147 37.907 38.000 0.091 0.000 1.012 252 I HN 0.282 8.573 8.210 0.134 0.000 0.421 253 W N 0.776 122.095 121.300 0.031 0.000 2.444 253 W HA -0.326 nan 4.660 nan 0.000 0.308 253 W C 0.594 177.151 176.519 0.064 0.000 1.183 253 W CA 2.456 59.825 57.345 0.040 0.000 1.340 253 W CB 0.505 29.986 29.460 0.035 0.000 1.138 253 W HN -0.222 8.119 8.180 0.352 0.050 0.510 254 E N -2.172 118.019 120.200 -0.014 0.000 2.118 254 E HA -0.413 nan 4.350 nan 0.000 0.195 254 E C 2.424 178.970 176.600 -0.089 0.000 0.992 254 E CA 3.476 59.790 56.400 -0.142 0.000 0.804 254 E CB -0.555 29.140 29.700 -0.009 0.000 0.741 254 E HN 0.234 8.689 8.360 0.158 0.000 0.458 255 G N -3.455 105.349 108.800 0.008 0.000 2.572 255 G HA2 -0.129 nan 3.960 nan 0.000 0.216 255 G HA3 -0.129 nan 3.960 nan 0.000 0.216 255 G C 1.155 176.105 174.900 0.083 0.000 1.133 255 G CA 1.604 46.732 45.100 0.046 0.000 0.791 255 G HN -0.232 8.079 8.290 0.050 0.009 0.538 256 T N 1.061 115.648 114.554 0.056 0.000 2.852 256 T HA -0.084 nan 4.350 nan 0.000 0.256 256 T C 2.040 176.766 174.700 0.043 0.000 1.038 256 T CA 2.870 65.050 62.100 0.135 0.000 1.141 256 T CB -0.473 68.523 68.868 0.212 0.000 0.869 256 T HN -0.518 7.630 8.240 0.047 0.120 0.439 257 R N 1.983 122.321 120.500 -0.270 0.000 2.096 257 R HA -0.469 nan 4.340 nan 0.000 0.240 257 R C 2.114 178.338 176.300 -0.127 0.000 1.139 257 R CA 3.858 59.765 56.100 -0.322 0.000 0.952 257 R CB -0.319 29.636 30.300 -0.575 0.000 0.854 257 R HN 0.050 8.067 8.270 -0.422 0.000 0.436 258 D N -1.572 118.777 120.400 -0.086 0.000 2.219 258 D HA -0.213 nan 4.640 nan 0.000 0.205 258 D C 1.960 178.278 176.300 0.030 0.000 0.970 258 D CA 3.928 57.907 54.000 -0.035 0.000 0.851 258 D CB -0.293 40.495 40.800 -0.021 0.000 0.943 258 D HN 0.207 8.402 8.370 -0.112 0.108 0.488 259 F N -0.264 119.664 119.950 -0.037 0.000 2.293 259 F HA -0.273 nan 4.527 nan 0.000 0.300 259 F C 0.670 176.479 175.800 0.015 0.000 1.086 259 F CA 2.630 60.628 58.000 -0.002 0.000 1.375 259 F CB 0.343 39.350 39.000 0.011 0.000 1.045 259 F HN -0.465 7.744 8.300 0.209 0.215 0.516 260 V N -1.021 118.850 119.914 -0.072 0.000 2.403 260 V HA -0.029 nan 4.120 nan 0.000 0.239 260 V C -0.155 175.933 176.094 -0.010 0.000 1.041 260 V CA 1.693 63.944 62.300 -0.082 0.000 1.051 260 V CB 1.222 33.053 31.823 0.013 0.000 0.704 260 V HN -0.367 7.662 8.190 0.023 0.175 0.472 261 A N -3.118 119.712 122.820 0.017 0.000 3.297 261 A HA 0.426 nan 4.320 nan 0.000 0.304 261 A C -0.771 176.828 177.584 0.024 0.000 0.963 261 A CA -1.050 51.056 52.037 0.115 0.000 0.935 261 A CB -0.156 18.930 19.000 0.143 0.000 1.093 261 A HN 0.236 8.370 8.150 -0.027 0.000 0.480 262 c N 1.552 120.128 118.600 -0.040 0.000 2.388 262 c HA -0.453 nan 4.570 nan 0.000 0.277 262 c C 0.967 174.988 174.090 -0.116 0.000 1.210 262 c CA 4.268 60.550 56.329 -0.079 0.000 1.743 262 c CB -0.980 41.495 42.510 -0.057 0.000 2.047 262 c HN -0.024 8.172 8.230 -0.058 0.000 0.458 263 N N -1.168 117.485 118.700 -0.079 0.000 2.120 263 N HA -0.323 nan 4.740 nan 0.000 0.188 263 N C 2.083 177.511 175.510 -0.136 0.000 1.024 263 N CA 3.658 56.646 53.050 -0.105 0.000 0.852 263 N CB -0.603 37.837 38.487 -0.078 0.000 1.003 263 N HN 0.347 8.691 8.380 -0.060 0.000 0.424 264 H N 2.043 121.038 119.070 -0.125 0.000 2.353 264 H HA -0.171 nan 4.556 nan 0.000 0.300 264 H C 2.128 177.361 175.328 -0.159 0.000 1.090 264 H CA 3.319 59.339 56.048 -0.045 0.000 1.327 264 H CB 0.122 29.982 29.762 0.162 0.000 1.383 264 H HN -0.049 8.277 8.280 0.096 0.012 0.508 265 L N -2.551 118.580 121.223 -0.152 0.000 2.313 265 L HA -0.241 nan 4.340 nan 0.000 0.214 265 L C 2.237 178.369 176.870 -1.231 0.000 1.119 265 L CA 2.131 56.558 54.840 -0.689 0.000 0.809 265 L CB -0.546 41.203 42.059 -0.517 0.000 0.933 265 L HN 0.162 8.210 8.230 -0.099 0.123 0.449 266 R N -0.262 119.722 120.500 -0.859 0.000 2.170 266 R HA -0.348 nan 4.340 nan 0.000 0.242 266 R C 2.143 177.617 176.300 -1.377 0.000 1.145 266 R CA 1.995 57.423 56.100 -1.120 0.000 0.984 266 R CB -1.521 28.183 30.300 -0.992 0.000 0.869 266 R HN -0.175 7.723 8.270 -0.576 0.026 0.455 267 S N 0.368 115.476 115.700 -0.987 0.000 2.380 267 S HA -0.341 nan 4.470 nan 0.000 0.229 267 S C 2.177 176.416 174.600 -0.602 0.000 1.043 267 S CA 3.627 61.415 58.200 -0.688 0.000 1.038 267 S CB -0.652 62.296 63.200 -0.420 0.000 0.872 267 S HN -0.175 7.625 8.310 -0.806 0.027 0.456 268 Y N -1.067 118.825 120.300 -0.680 0.000 2.490 268 Y HA 0.083 nan 4.550 nan 0.000 0.285 268 Y C 1.636 177.310 175.900 -0.376 0.000 1.117 268 Y CA 0.049 57.822 58.100 -0.545 0.000 1.262 268 Y CB -1.146 36.750 38.460 -0.941 0.000 1.043 268 Y HN -0.424 6.997 8.280 -1.414 0.011 0.553 269 K N 2.393 122.425 120.400 -0.613 0.000 1.977 269 K HA -0.416 nan 4.320 nan 0.000 0.218 269 K C 2.171 178.524 176.600 -0.411 0.000 1.051 269 K CA 3.518 59.509 56.287 -0.493 0.000 0.953 269 K CB -0.661 31.315 32.500 -0.872 0.000 0.727 269 K HN -0.805 6.673 8.250 -1.176 0.066 0.445 270 Y N -2.825 117.091 120.300 -0.641 0.000 2.207 270 Y HA -0.326 nan 4.550 nan 0.000 0.287 270 Y C 2.653 178.191 175.900 -0.604 0.000 1.156 270 Y CA 0.996 58.712 58.100 -0.639 0.000 1.182 270 Y CB -0.948 37.144 38.460 -0.614 0.000 0.979 270 Y HN 0.124 7.768 8.280 -1.061 0.000 0.521 271 Y N 0.079 120.199 120.300 -0.300 0.000 2.224 271 Y HA -0.520 nan 4.550 nan 0.000 0.289 271 Y C 2.095 177.896 175.900 -0.165 0.000 1.146 271 Y CA 3.337 61.288 58.100 -0.249 0.000 1.182 271 Y CB -0.257 38.099 38.460 -0.173 0.000 0.983 271 Y HN -0.365 7.828 8.280 -0.146 0.000 0.524 272 A N -0.987 121.838 122.820 0.009 0.000 1.873 272 A HA -0.324 nan 4.320 nan 0.000 0.215 272 A C 2.424 180.003 177.584 -0.007 0.000 1.186 272 A CA 2.964 55.039 52.037 0.063 0.000 0.616 272 A CB -1.011 18.062 19.000 0.123 0.000 0.823 272 A HN -0.188 7.845 8.150 0.012 0.124 0.442 273 D N -1.302 119.119 120.400 0.035 0.000 2.097 273 D HA -0.226 nan 4.640 nan 0.000 0.197 273 D C 2.509 178.878 176.300 0.114 0.000 0.984 273 D CA 3.168 57.263 54.000 0.159 0.000 0.826 273 D CB -0.258 40.785 40.800 0.405 0.000 0.973 273 D HN -0.381 8.002 8.370 0.021 0.000 0.460 274 S N -0.364 115.260 115.700 -0.127 0.000 2.462 274 S HA -0.290 nan 4.470 nan 0.000 0.243 274 S C 1.669 176.302 174.600 0.055 0.000 1.003 274 S CA 3.065 61.198 58.200 -0.112 0.000 0.970 274 S CB -0.760 62.057 63.200 -0.637 0.000 0.762 274 S HN -0.432 7.653 8.310 -0.375 0.000 0.510 275 I N -0.455 120.054 120.570 -0.102 0.000 2.286 275 I HA -0.384 nan 4.170 nan 0.000 0.248 275 I C 1.270 177.470 176.117 0.137 0.000 1.115 275 I CA 3.059 64.280 61.300 -0.130 0.000 1.392 275 I CB -0.098 37.728 38.000 -0.289 0.000 1.065 275 I HN -0.704 7.245 8.210 -0.171 0.158 0.418 276 L N -2.186 119.114 121.223 0.128 0.000 2.357 276 L HA -0.135 nan 4.340 nan 0.000 0.211 276 L C 0.670 177.636 176.870 0.161 0.000 1.075 276 L CA 1.224 56.146 54.840 0.137 0.000 0.830 276 L CB 0.490 42.616 42.059 0.113 0.000 0.996 276 L HN 0.219 8.384 8.230 0.090 0.118 0.467 277 N N -0.329 118.484 118.700 0.189 0.000 2.767 277 N HA 0.328 nan 4.740 nan 0.000 0.238 277 N C -1.663 173.899 175.510 0.086 0.000 1.083 277 N CA -2.070 51.071 53.050 0.152 0.000 0.964 277 N CB -0.045 38.505 38.487 0.105 0.000 1.252 277 N HN -0.585 7.926 8.380 0.217 0.000 0.512 278 P HA -0.094 nan 4.420 nan 0.000 0.228 278 P C -1.556 175.581 177.300 -0.272 0.000 1.151 278 P CA 1.647 64.476 63.100 -0.451 0.000 0.770 278 P CB 0.116 31.465 31.700 -0.585 0.000 0.786 279 D N -7.853 112.486 120.400 -0.101 0.000 2.520 279 D HA 0.033 nan 4.640 nan 0.000 0.223 279 D C 0.740 176.840 176.300 -0.333 0.000 1.186 279 D CA -0.414 53.541 54.000 -0.074 0.000 0.821 279 D CB -1.175 39.702 40.800 0.128 0.000 1.072 279 D HN -0.198 8.069 8.370 -0.040 0.079 0.518 280 G N -1.837 106.624 108.800 -0.565 0.000 3.181 280 G HA2 0.128 nan 3.960 nan 0.000 0.219 280 G HA3 0.128 nan 3.960 nan 0.000 0.219 280 G C -0.870 173.240 174.900 -1.318 0.000 1.182 280 G CA 0.576 44.796 45.100 -1.468 0.000 0.791 280 G HN -0.409 7.724 8.290 -0.261 0.000 0.537 281 F N -1.674 118.008 119.950 -0.446 0.000 2.936 281 F HA 0.206 nan 4.527 nan 0.000 0.334 281 F C -1.360 174.298 175.800 -0.237 0.000 1.170 281 F CA -2.095 55.719 58.000 -0.310 0.000 1.104 281 F CB 1.967 40.792 39.000 -0.292 0.000 1.216 281 F HN 0.263 8.634 8.300 -0.278 -0.239 0.518 282 A N 1.282 124.027 122.820 -0.124 0.000 2.608 282 A HA -0.267 nan 4.320 nan 0.000 0.246 282 A C -0.612 176.776 177.584 -0.326 0.000 0.998 282 A CA 1.216 53.131 52.037 -0.204 0.000 0.796 282 A CB -0.357 18.546 19.000 -0.162 0.000 0.895 282 A HN -0.598 7.482 8.150 -0.194 -0.047 0.508 283 G N 0.253 108.800 108.800 -0.422 0.000 2.454 283 G HA2 0.566 nan 3.960 nan 0.000 0.329 283 G HA3 0.566 nan 3.960 nan 0.000 0.329 283 G C -1.968 172.555 174.900 -0.628 0.000 1.177 283 G CA -1.312 43.568 45.100 -0.367 0.000 0.951 283 G HN 0.250 8.292 8.290 -0.413 0.000 0.485 284 F N -0.676 119.432 119.950 0.264 0.000 2.507 284 F HA 0.335 nan 4.527 nan 0.000 0.328 284 F C -1.586 174.324 175.800 0.185 0.000 1.136 284 F CA -3.241 54.919 58.000 0.267 0.000 0.930 284 F CB 2.854 42.115 39.000 0.435 0.000 1.166 284 F HN 0.586 8.918 8.300 0.045 -0.005 0.436 285 P HA -0.031 nan 4.420 nan 0.000 0.265 285 P C -1.740 175.617 177.300 0.096 0.000 1.193 285 P CA 0.358 63.411 63.100 -0.079 0.000 0.765 285 P CB 0.196 31.796 31.700 -0.167 0.000 0.823 286 c N 3.099 121.732 118.600 0.056 0.000 3.307 286 c HA 0.109 nan 4.570 nan 0.000 0.333 286 c C -0.663 173.393 174.090 -0.056 0.000 1.291 286 c CA -0.369 55.962 56.329 0.004 0.000 1.273 286 c CB 2.717 45.208 42.510 -0.033 0.000 1.580 286 c HN -0.123 8.146 8.230 0.065 0.000 0.481 287 D N 1.628 121.984 120.400 -0.073 0.000 2.363 287 D HA -0.063 nan 4.640 nan 0.000 0.226 287 D C -1.579 174.662 176.300 -0.098 0.000 1.020 287 D CA 1.667 55.627 54.000 -0.067 0.000 0.892 287 D CB 0.265 41.035 40.800 -0.049 0.000 0.900 287 D HN 0.373 8.708 8.370 -0.059 0.000 0.531 288 S N -5.965 109.604 115.700 -0.218 0.000 2.660 288 S HA -0.049 nan 4.470 nan 0.000 0.264 288 S C -1.714 172.452 174.600 -0.722 0.000 1.131 288 S CA 0.274 58.310 58.200 -0.273 0.000 0.846 288 S CB 0.649 63.762 63.200 -0.144 0.000 1.151 288 S HN -0.915 7.094 8.310 -0.316 0.111 0.486 289 Y N 1.763 121.719 120.300 -0.574 0.000 2.353 289 Y HA 0.098 nan 4.550 nan 0.000 0.294 289 Y C 0.716 176.530 175.900 -0.145 0.000 1.135 289 Y CA 1.568 59.361 58.100 -0.512 0.000 1.176 289 Y CB 0.710 39.128 38.460 -0.070 0.000 1.124 289 Y HN 0.150 8.374 8.280 -0.094 0.000 0.537 290 N N 0.905 119.501 118.700 -0.174 0.000 2.060 290 N HA -0.461 nan 4.740 nan 0.000 0.195 290 N C 1.856 177.258 175.510 -0.180 0.000 1.028 290 N CA 3.780 56.722 53.050 -0.180 0.000 0.861 290 N CB -0.019 38.429 38.487 -0.066 0.000 1.029 290 N HN -0.421 7.947 8.380 -0.019 0.000 0.428 291 V N -0.955 118.871 119.914 -0.145 0.000 2.490 291 V HA -0.325 nan 4.120 nan 0.000 0.250 291 V C 1.631 177.678 176.094 -0.078 0.000 1.061 291 V CA 3.267 65.505 62.300 -0.104 0.000 1.064 291 V CB -0.843 30.929 31.823 -0.085 0.000 0.670 291 V HN 0.022 8.123 8.190 -0.148 0.000 0.461 292 F N -0.813 118.950 119.950 -0.312 0.000 2.084 292 F HA -0.318 nan 4.527 nan 0.000 0.296 292 F C 2.171 177.808 175.800 -0.271 0.000 1.111 292 F CA 3.782 61.626 58.000 -0.260 0.000 1.224 292 F CB 0.182 39.029 39.000 -0.256 0.000 0.991 292 F HN -0.043 8.054 8.300 -0.128 0.126 0.471 293 T N -1.002 113.387 114.554 -0.274 0.000 2.833 293 T HA -0.322 nan 4.350 nan 0.000 0.269 293 T C 1.560 176.117 174.700 -0.239 0.000 1.054 293 T CA 2.783 64.691 62.100 -0.320 0.000 1.135 293 T CB -0.726 67.930 68.868 -0.354 0.000 0.869 293 T HN -0.008 8.013 8.240 -0.366 0.000 0.466 294 A N -0.244 122.461 122.820 -0.191 0.000 2.258 294 A HA -0.023 nan 4.320 nan 0.000 0.206 294 A C -1.294 176.205 177.584 -0.141 0.000 1.222 294 A CA -0.409 51.548 52.037 -0.134 0.000 0.822 294 A CB -0.219 18.721 19.000 -0.099 0.000 0.804 294 A HN 0.026 7.851 8.150 -0.195 0.208 0.483 295 N N -5.763 112.806 118.700 -0.218 0.000 2.754 295 N HA -0.385 nan 4.740 nan 0.000 0.248 295 N C -0.435 174.987 175.510 -0.146 0.000 1.093 295 N CA 1.376 54.284 53.050 -0.236 0.000 0.699 295 N CB -1.136 37.240 38.487 -0.185 0.000 1.016 295 N HN 0.074 8.062 8.380 -0.277 0.226 0.552 296 K N -3.259 117.075 120.400 -0.110 0.000 2.414 296 K HA 0.156 nan 4.320 nan 0.000 0.204 296 K C -1.064 175.533 176.600 -0.005 0.000 1.026 296 K CA 0.194 56.453 56.287 -0.047 0.000 1.108 296 K CB 1.212 33.688 32.500 -0.039 0.000 0.855 296 K HN -0.352 7.810 8.250 -0.126 0.013 0.517 297 c N -1.213 117.392 118.600 0.009 0.000 3.166 297 c HA 0.142 nan 4.570 nan 0.000 0.277 297 c C -2.097 172.050 174.090 0.096 0.000 0.984 297 c CA -1.431 54.947 56.329 0.081 0.000 1.142 297 c CB -0.787 41.804 42.510 0.134 0.000 1.721 297 c HN -0.179 8.017 8.230 -0.056 0.000 0.628 298 F N 2.605 122.475 119.950 -0.132 0.000 2.629 298 F HA 0.427 nan 4.527 nan 0.000 0.316 298 F C -1.922 173.827 175.800 -0.086 0.000 1.081 298 F CA -3.509 54.343 58.000 -0.246 0.000 0.954 298 F CB 2.796 41.559 39.000 -0.395 0.000 1.337 298 F HN -0.582 7.774 8.300 0.094 0.000 0.474 299 P HA 0.082 nan 4.420 nan 0.000 0.333 299 P C -1.244 175.820 177.300 -0.393 0.000 1.343 299 P CA -0.676 61.431 63.100 -1.655 0.000 0.761 299 P CB 1.051 32.053 31.700 -1.164 0.000 1.701 300 c N -0.088 118.492 118.600 -0.032 0.000 2.632 300 c HA 0.148 nan 4.570 nan 0.000 0.415 300 c C -1.454 172.690 174.090 0.090 0.000 1.332 300 c CA -0.373 56.087 56.329 0.219 0.000 1.874 300 c CB -1.569 41.033 42.510 0.153 0.000 2.596 300 c HN 0.078 8.104 8.230 -0.160 0.108 0.590 301 P HA -0.094 nan 4.420 nan 0.000 0.269 301 P C -0.511 176.846 177.300 0.095 0.000 1.185 301 P CA 0.349 63.512 63.100 0.107 0.000 0.769 301 P CB 0.668 32.456 31.700 0.147 0.000 0.809 302 S N 2.947 118.689 115.700 0.071 0.000 2.419 302 S HA -0.271 nan 4.470 nan 0.000 0.235 302 S C 0.667 175.310 174.600 0.072 0.000 1.019 302 S CA 2.458 60.691 58.200 0.055 0.000 0.982 302 S CB -0.635 62.586 63.200 0.036 0.000 0.789 302 S HN 0.370 8.717 8.310 0.062 0.000 0.490 303 E N -0.610 119.653 120.200 0.105 0.000 2.072 303 E HA 0.005 nan 4.350 nan 0.000 0.190 303 E C 0.459 177.176 176.600 0.194 0.000 0.982 303 E CA 0.007 56.482 56.400 0.125 0.000 0.803 303 E CB 0.215 29.993 29.700 0.130 0.000 0.755 303 E HN -0.014 8.371 8.360 0.117 0.046 0.453 304 G N -1.216 107.727 108.800 0.239 0.000 2.356 304 G HA2 -0.160 nan 3.960 nan 0.000 0.300 304 G HA3 -0.160 nan 3.960 nan 0.000 0.300 304 G C -1.995 172.963 174.900 0.097 0.000 1.331 304 G CA -0.466 44.744 45.100 0.184 0.000 0.905 304 G HN -0.562 7.783 8.290 0.228 0.081 0.587 305 c N 1.853 120.403 118.600 -0.084 0.000 2.350 305 c HA 0.459 nan 4.570 nan 0.000 0.348 305 c C -1.186 172.573 174.090 -0.552 0.000 1.260 305 c CA -3.150 52.978 56.329 -0.335 0.000 1.966 305 c CB 0.902 43.151 42.510 -0.435 0.000 2.380 305 c HN 0.246 8.445 8.230 -0.051 0.000 0.535 306 P HA -0.155 nan 4.420 nan 0.000 0.264 306 P C -1.206 175.932 177.300 -0.270 0.000 1.183 306 P CA -0.032 62.554 63.100 -0.856 0.000 0.763 306 P CB 0.646 31.570 31.700 -1.292 0.000 0.807 307 Q N 0.881 120.612 119.800 -0.115 0.000 2.293 307 Q HA -0.005 nan 4.340 nan 0.000 0.263 307 Q C -0.561 175.325 176.000 -0.189 0.000 1.002 307 Q CA -1.063 54.705 55.803 -0.058 0.000 0.910 307 Q CB -0.233 28.514 28.738 0.014 0.000 1.185 307 Q HN 0.195 8.407 8.270 -0.097 0.000 0.401 308 M N 5.240 124.599 119.600 -0.402 0.000 2.248 308 M HA -0.204 nan 4.480 nan 0.000 0.345 308 M C -0.311 175.514 176.300 -0.791 0.000 1.243 308 M CA 1.860 56.450 55.300 -1.184 0.000 1.090 308 M CB 0.611 32.697 32.600 -0.858 0.000 1.683 308 M HN -0.251 7.858 8.290 -0.140 0.097 0.450 309 G N 2.950 111.267 108.800 -0.804 0.000 2.503 309 G HA2 -0.439 nan 3.960 nan 0.000 0.235 309 G HA3 -0.439 nan 3.960 nan 0.000 0.235 309 G C 0.026 174.623 174.900 -0.504 0.000 1.179 309 G CA 0.134 44.850 45.100 -0.640 0.000 0.944 309 G HN -0.113 7.577 8.290 -1.000 0.000 0.580 310 H N 4.477 123.045 119.070 -0.836 0.000 2.518 310 H HA -0.144 nan 4.556 nan 0.000 0.289 310 H C 1.451 176.464 175.328 -0.525 0.000 1.051 310 H CA 2.955 58.592 56.048 -0.685 0.000 1.280 310 H CB 0.490 29.739 29.762 -0.854 0.000 1.380 310 H HN -0.190 7.631 8.280 -0.766 0.000 0.566 311 Y N -3.854 116.353 120.300 -0.155 0.000 2.557 311 Y HA 0.088 nan 4.550 nan 0.000 0.247 311 Y C -0.136 175.746 175.900 -0.029 0.000 1.164 311 Y CA -1.355 56.697 58.100 -0.081 0.000 1.218 311 Y CB -0.814 37.638 38.460 -0.015 0.000 1.210 311 Y HN -0.439 7.764 8.280 -0.050 0.047 0.529 312 A N 0.631 123.501 122.820 0.084 0.000 2.131 312 A HA -0.351 nan 4.320 nan 0.000 0.220 312 A C 0.776 178.561 177.584 0.335 0.000 1.158 312 A CA 3.193 55.377 52.037 0.246 0.000 0.665 312 A CB -0.859 18.340 19.000 0.333 0.000 0.795 312 A HN -0.480 7.642 8.150 -0.045 0.000 0.460 313 D N -4.049 116.519 120.400 0.279 0.000 2.363 313 D HA -0.177 nan 4.640 nan 0.000 0.220 313 D C 1.178 177.463 176.300 -0.026 0.000 0.994 313 D CA 1.963 56.066 54.000 0.173 0.000 0.890 313 D CB -0.603 40.286 40.800 0.149 0.000 0.906 313 D HN 0.208 8.611 8.370 0.158 0.061 0.530 314 R N -2.402 118.141 120.500 0.071 0.000 2.437 314 R HA 0.084 nan 4.340 nan 0.000 0.257 314 R C -0.314 176.060 176.300 0.124 0.000 0.927 314 R CA -0.963 55.183 56.100 0.077 0.000 1.078 314 R CB 1.079 31.455 30.300 0.127 0.000 1.161 314 R HN -0.513 7.657 8.270 0.131 0.179 0.529 315 F N 3.719 123.629 119.950 -0.068 0.000 2.635 315 F HA -0.086 nan 4.527 nan 0.000 0.379 315 F C -1.182 174.559 175.800 -0.099 0.000 1.094 315 F CA -1.852 56.099 58.000 -0.082 0.000 1.300 315 F CB 0.265 39.198 39.000 -0.112 0.000 1.035 315 F HN -0.658 7.772 8.300 0.217 0.000 0.581 316 P HA -0.019 nan 4.420 nan 0.000 0.217 316 P C 0.069 176.979 177.300 -0.649 0.000 1.154 316 P CA 1.222 64.131 63.100 -0.319 0.000 0.841 316 P CB 0.447 32.047 31.700 -0.166 0.000 0.790 317 G N -1.848 106.142 108.800 -1.350 0.000 3.392 317 G HA2 -0.072 nan 3.960 nan 0.000 0.247 317 G HA3 -0.072 nan 3.960 nan 0.000 0.247 317 G C -0.916 173.445 174.900 -0.898 0.000 1.161 317 G CA -0.371 44.091 45.100 -1.062 0.000 1.739 317 G HN 0.273 7.453 8.290 -1.849 0.000 0.619 318 K N 0.910 120.957 120.400 -0.587 0.000 2.054 318 K HA -0.023 nan 4.320 nan 0.000 0.207 318 K C 1.517 178.093 176.600 -0.042 0.000 1.031 318 K CA 1.835 57.959 56.287 -0.272 0.000 0.952 318 K CB 0.641 32.881 32.500 -0.434 0.000 0.775 318 K HN -0.042 7.856 8.250 -0.494 0.056 0.447 319 T N -3.237 111.288 114.554 -0.047 0.000 3.085 319 T HA 0.026 nan 4.350 nan 0.000 0.263 319 T C 1.513 176.220 174.700 0.011 0.000 1.127 319 T CA 1.649 63.848 62.100 0.165 0.000 1.103 319 T CB -1.037 67.904 68.868 0.122 0.000 0.921 319 T HN 0.219 8.363 8.240 -0.160 0.000 0.510 320 N N 1.115 119.783 118.700 -0.054 0.000 2.586 320 N HA -0.110 nan 4.740 nan 0.000 0.206 320 N C -0.504 174.981 175.510 -0.042 0.000 1.377 320 N CA 0.296 53.305 53.050 -0.067 0.000 0.871 320 N CB -1.668 36.752 38.487 -0.112 0.000 1.107 320 N HN 0.114 8.436 8.380 -0.102 -0.003 0.462 321 G N -2.390 106.389 108.800 -0.035 0.000 2.356 321 G HA2 -0.092 nan 3.960 nan 0.000 0.281 321 G HA3 -0.092 nan 3.960 nan 0.000 0.281 321 G C -2.802 172.053 174.900 -0.074 0.000 1.246 321 G CA 0.046 45.123 45.100 -0.039 0.000 0.889 321 G HN -0.490 7.675 8.290 -0.031 0.107 0.486 322 V N 0.512 120.410 119.914 -0.027 0.000 2.737 322 V HA 0.115 nan 4.120 nan 0.000 0.298 322 V C -1.102 175.021 176.094 0.047 0.000 1.163 322 V CA -0.280 62.005 62.300 -0.025 0.000 0.925 322 V CB 1.823 33.603 31.823 -0.072 0.000 1.037 322 V HN -0.080 8.107 8.190 -0.005 0.000 0.433 323 S N 3.994 119.760 115.700 0.110 0.000 3.695 323 S HA -0.377 nan 4.470 nan 0.000 0.310 323 S C -0.104 174.546 174.600 0.083 0.000 1.166 323 S CA 1.430 59.698 58.200 0.113 0.000 0.882 323 S CB -1.171 62.074 63.200 0.076 0.000 0.949 323 S HN 0.430 8.833 8.310 0.154 0.000 0.540 324 Q N -0.651 119.226 119.800 0.129 0.000 2.244 324 Q HA -0.137 nan 4.340 nan 0.000 0.276 324 Q C -0.858 175.174 176.000 0.054 0.000 1.122 324 Q CA 0.226 56.074 55.803 0.074 0.000 0.920 324 Q CB -0.180 28.756 28.738 0.330 0.000 1.186 324 Q HN -0.322 8.063 8.270 0.193 0.000 0.393 325 V N 0.458 120.254 119.914 -0.196 0.000 2.617 325 V HA 0.566 nan 4.120 nan 0.000 0.298 325 V C -1.994 173.815 176.094 -0.475 0.000 1.048 325 V CA -2.326 59.862 62.300 -0.185 0.000 0.964 325 V CB 1.638 33.273 31.823 -0.313 0.000 1.004 325 V HN -0.061 7.983 8.190 -0.243 0.000 0.466 326 F N 1.893 121.586 119.950 -0.428 0.000 2.613 326 F HA 0.591 nan 4.527 nan 0.000 0.310 326 F C -1.686 173.852 175.800 -0.436 0.000 1.085 326 F CA -1.796 55.995 58.000 -0.348 0.000 0.945 326 F CB 4.538 43.244 39.000 -0.489 0.000 1.298 326 F HN -0.498 7.750 8.300 -0.087 0.000 0.455 327 Y N -0.769 119.505 120.300 -0.045 0.000 2.409 327 Y HA 0.434 nan 4.550 nan 0.000 0.343 327 Y C -1.699 174.051 175.900 -0.250 0.000 0.973 327 Y CA -0.904 57.063 58.100 -0.221 0.000 1.064 327 Y CB 2.571 40.711 38.460 -0.533 0.000 1.207 327 Y HN 0.378 8.747 8.280 0.263 0.069 0.452 328 L N -4.911 116.373 121.223 0.102 0.000 2.403 328 L HA 0.518 nan 4.340 nan 0.000 0.253 328 L C -2.207 174.856 176.870 0.323 0.000 1.045 328 L CA -1.675 53.333 54.840 0.280 0.000 0.845 328 L CB 3.378 45.558 42.059 0.201 0.000 1.447 328 L HN 0.035 8.339 8.230 0.123 0.000 0.411 329 N N -0.443 118.489 118.700 0.388 0.000 2.370 329 N HA 0.231 nan 4.740 nan 0.000 0.303 329 N C -1.691 173.887 175.510 0.113 0.000 1.103 329 N CA -0.331 52.891 53.050 0.285 0.000 0.848 329 N CB 3.030 41.736 38.487 0.365 0.000 1.235 329 N HN 0.300 8.943 8.380 0.438 0.000 0.496 330 T N -4.146 110.445 114.554 0.062 0.000 2.888 330 T HA 0.340 nan 4.350 nan 0.000 0.288 330 T C -0.230 174.551 174.700 0.133 0.000 1.063 330 T CA -2.278 59.824 62.100 0.004 0.000 1.010 330 T CB 3.774 72.513 68.868 -0.216 0.000 1.214 330 T HN -0.254 8.045 8.240 0.098 0.000 0.533 331 G N 0.091 109.015 108.800 0.206 0.000 2.529 331 G HA2 -0.033 nan 3.960 nan 0.000 0.277 331 G HA3 -0.033 nan 3.960 nan 0.000 0.277 331 G C -0.936 174.120 174.900 0.261 0.000 1.383 331 G CA -0.282 44.922 45.100 0.174 0.000 1.050 331 G HN 0.298 8.610 8.290 0.243 0.123 0.526 332 D N -5.206 115.258 120.400 0.107 0.000 2.469 332 D HA 0.083 nan 4.640 nan 0.000 0.213 332 D C -1.152 175.168 176.300 0.034 0.000 1.135 332 D CA -0.513 53.581 54.000 0.156 0.000 0.834 332 D CB 1.028 41.892 40.800 0.106 0.000 1.009 332 D HN 0.213 8.582 8.370 -0.002 0.000 0.507 333 A N -1.275 121.323 122.820 -0.369 0.000 2.493 333 A HA 0.300 nan 4.320 nan 0.000 0.300 333 A C -1.813 175.083 177.584 -1.146 0.000 1.152 333 A CA -0.400 51.265 52.037 -0.621 0.000 0.643 333 A CB 1.428 20.300 19.000 -0.212 0.000 1.316 333 A HN -0.667 7.176 8.150 -0.435 0.046 0.469 334 S N -1.107 114.203 115.700 -0.649 0.000 2.710 334 S HA -0.047 nan 4.470 nan 0.000 0.224 334 S C -0.892 173.583 174.600 -0.207 0.000 0.948 334 S CA 0.811 58.704 58.200 -0.512 0.000 0.949 334 S CB -0.202 63.007 63.200 0.016 0.000 0.778 334 S HN 0.238 8.355 8.310 -0.322 0.000 0.498 335 N N 0.315 118.856 118.700 -0.264 0.000 2.424 335 N HA 0.137 nan 4.740 nan 0.000 0.271 335 N C -1.232 174.176 175.510 -0.169 0.000 0.985 335 N CA -0.407 52.601 53.050 -0.069 0.000 0.921 335 N CB 1.128 39.646 38.487 0.052 0.000 1.149 335 N HN -0.958 7.222 8.380 -0.295 0.023 0.492 336 F N 3.589 123.637 119.950 0.165 0.000 2.717 336 F HA 0.103 nan 4.527 nan 0.000 0.297 336 F C 0.258 175.951 175.800 -0.177 0.000 1.113 336 F CA 0.181 58.263 58.000 0.135 0.000 1.319 336 F CB 0.923 40.126 39.000 0.337 0.000 1.097 336 F HN 0.275 8.970 8.300 0.515 -0.086 0.595 337 A N -0.006 122.656 122.820 -0.262 0.000 2.598 337 A HA -0.213 nan 4.320 nan 0.000 0.239 337 A C -0.771 176.460 177.584 -0.590 0.000 1.032 337 A CA 1.437 52.877 52.037 -0.995 0.000 0.760 337 A CB -0.062 18.474 19.000 -0.773 0.000 0.946 337 A HN 0.141 8.666 8.150 0.066 -0.336 0.512 338 R N 2.296 122.338 120.500 -0.763 0.000 2.855 338 R HA 0.666 nan 4.340 nan 0.000 0.266 338 R C -2.051 174.161 176.300 -0.146 0.000 1.034 338 R CA -2.093 53.936 56.100 -0.119 0.000 0.944 338 R CB 4.390 34.671 30.300 -0.032 0.000 1.219 338 R HN 0.293 7.839 8.270 -1.206 0.000 0.474 339 W N -1.133 120.128 121.300 -0.064 0.000 2.802 339 W HA 0.123 nan 4.660 nan 0.000 0.331 339 W C -2.085 174.315 176.519 -0.199 0.000 1.021 339 W CA -1.015 56.255 57.345 -0.125 0.000 1.259 339 W CB 3.057 32.432 29.460 -0.142 0.000 1.323 339 W HN 0.490 8.970 8.180 0.500 0.000 0.432 340 R N 4.834 125.367 120.500 0.055 0.000 2.340 340 R HA 0.247 nan 4.340 nan 0.000 0.300 340 R C -1.455 174.635 176.300 -0.349 0.000 1.069 340 R CA 0.282 56.313 56.100 -0.115 0.000 0.984 340 R CB 0.905 31.197 30.300 -0.012 0.000 1.003 340 R HN 0.174 8.547 8.270 0.172 0.000 0.459 341 Y N 3.999 123.937 120.300 -0.604 0.000 2.512 341 Y HA 0.367 nan 4.550 nan 0.000 0.348 341 Y C -1.975 173.221 175.900 -1.174 0.000 0.990 341 Y CA -1.424 56.257 58.100 -0.699 0.000 1.033 341 Y CB 4.355 42.489 38.460 -0.542 0.000 1.259 341 Y HN 0.175 8.059 8.280 -0.659 0.000 0.461 342 K N 1.525 121.457 120.400 -0.779 0.000 2.235 342 K HA 0.700 nan 4.320 nan 0.000 0.266 342 K C -2.079 174.367 176.600 -0.258 0.000 0.980 342 K CA -1.323 54.571 56.287 -0.655 0.000 0.849 342 K CB 2.381 34.519 32.500 -0.604 0.000 1.098 342 K HN 0.651 8.645 8.250 -0.425 0.000 0.445 343 V N 7.169 126.987 119.914 -0.160 0.000 2.531 343 V HA 0.716 nan 4.120 nan 0.000 0.301 343 V C -2.051 174.103 176.094 0.101 0.000 1.034 343 V CA -1.731 60.608 62.300 0.065 0.000 0.865 343 V CB 3.502 35.473 31.823 0.245 0.000 0.995 343 V HN 0.948 9.010 8.190 -0.214 0.000 0.424 344 S N 7.258 123.026 115.700 0.113 0.000 2.478 344 S HA 0.749 nan 4.470 nan 0.000 0.312 344 S C -1.603 173.075 174.600 0.130 0.000 1.094 344 S CA -1.995 56.271 58.200 0.111 0.000 1.081 344 S CB 1.425 64.668 63.200 0.072 0.000 1.007 344 S HN 0.160 8.541 8.310 0.118 0.000 0.475 345 V N 3.435 123.436 119.914 0.145 0.000 2.555 345 V HA 0.663 nan 4.120 nan 0.000 0.302 345 V C -1.032 175.093 176.094 0.052 0.000 1.038 345 V CA -1.196 61.183 62.300 0.131 0.000 0.887 345 V CB 2.958 34.925 31.823 0.240 0.000 0.991 345 V HN 0.947 9.141 8.190 0.166 0.096 0.434 346 T N 7.986 122.531 114.554 -0.015 0.000 2.792 346 T HA 0.726 nan 4.350 nan 0.000 0.280 346 T C -1.010 173.614 174.700 -0.126 0.000 0.990 346 T CA -0.776 61.279 62.100 -0.076 0.000 0.960 346 T CB 0.794 69.619 68.868 -0.073 0.000 0.939 346 T HN 0.584 8.814 8.240 -0.016 0.000 0.439 347 L N 5.582 126.724 121.223 -0.135 0.000 2.334 347 L HA 0.534 nan 4.340 nan 0.000 0.277 347 L C -0.773 176.001 176.870 -0.161 0.000 1.075 347 L CA -0.958 53.786 54.840 -0.160 0.000 0.804 347 L CB 0.829 42.827 42.059 -0.102 0.000 1.174 347 L HN 0.153 8.299 8.230 -0.140 0.000 0.438 348 S N 1.068 116.656 115.700 -0.186 0.000 2.798 348 S HA 0.478 nan 4.470 nan 0.000 0.312 348 S C -0.240 174.278 174.600 -0.136 0.000 1.122 348 S CA -1.220 56.896 58.200 -0.141 0.000 0.949 348 S CB 2.516 65.639 63.200 -0.129 0.000 1.235 348 S HN 0.637 8.651 8.310 -0.250 0.145 0.552 349 G N 0.081 108.822 108.800 -0.099 0.000 2.499 349 G HA2 -0.294 nan 3.960 nan 0.000 0.232 349 G HA3 -0.294 nan 3.960 nan 0.000 0.232 349 G C -1.666 173.181 174.900 -0.088 0.000 1.251 349 G CA -0.138 44.909 45.100 -0.087 0.000 0.917 349 G HN 0.145 8.385 8.290 -0.083 0.000 0.580 350 K N 0.876 121.218 120.400 -0.096 0.000 2.466 350 K HA 0.217 nan 4.320 nan 0.000 0.260 350 K C -0.836 175.703 176.600 -0.101 0.000 1.011 350 K CA -2.439 53.799 56.287 -0.082 0.000 0.871 350 K CB 3.402 35.874 32.500 -0.047 0.000 1.404 350 K HN -0.226 7.956 8.250 -0.113 0.000 0.450 351 K N 0.870 121.227 120.400 -0.072 0.000 2.441 351 K HA -0.234 nan 4.320 nan 0.000 0.273 351 K C -1.548 175.014 176.600 -0.064 0.000 1.090 351 K CA 1.127 57.377 56.287 -0.062 0.000 1.158 351 K CB 0.027 32.506 32.500 -0.035 0.000 0.847 351 K HN 0.176 8.391 8.250 -0.059 0.000 0.483 352 V N 6.246 126.106 119.914 -0.090 0.000 3.159 352 V HA 0.418 nan 4.120 nan 0.000 0.308 352 V C -2.396 173.683 176.094 -0.025 0.000 1.190 352 V CA -1.909 60.347 62.300 -0.075 0.000 1.037 352 V CB 5.207 36.888 31.823 -0.237 0.000 1.060 352 V HN 0.227 8.243 8.190 -0.095 0.118 0.437 353 T N 1.667 116.249 114.554 0.045 0.000 2.823 353 T HA 0.797 nan 4.350 nan 0.000 0.279 353 T C -1.375 173.394 174.700 0.115 0.000 0.998 353 T CA -2.300 59.837 62.100 0.061 0.000 0.994 353 T CB 1.423 70.325 68.868 0.056 0.000 0.960 353 T HN 0.057 8.349 8.240 0.085 0.000 0.448 354 G N 3.285 112.123 108.800 0.063 0.000 2.343 354 G HA2 0.039 nan 3.960 nan 0.000 0.289 354 G HA3 0.039 nan 3.960 nan 0.000 0.289 354 G C -3.000 171.862 174.900 -0.062 0.000 1.295 354 G CA 0.928 46.087 45.100 0.098 0.000 0.869 354 G HN 0.611 8.801 8.290 0.009 0.106 0.522 355 H N 0.030 118.900 119.070 -0.334 0.000 2.457 355 H HA 0.777 nan 4.556 nan 0.000 0.335 355 H C -0.005 175.179 175.328 -0.240 0.000 1.115 355 H CA -1.153 54.648 56.048 -0.413 0.000 1.219 355 H CB 1.948 31.221 29.762 -0.816 0.000 1.471 355 H HN -0.427 7.800 8.280 -0.088 0.000 0.491 356 I N -2.020 118.557 120.570 0.011 0.000 2.918 356 I HA 0.874 nan 4.170 nan 0.000 0.316 356 I C -1.657 174.418 176.117 -0.070 0.000 1.001 356 I CA -1.422 59.850 61.300 -0.046 0.000 1.142 356 I CB 2.003 40.094 38.000 0.152 0.000 1.356 356 I HN 0.277 8.498 8.210 0.018 0.000 0.524 357 L N -0.037 121.084 121.223 -0.170 0.000 2.751 357 L HA 0.313 nan 4.340 nan 0.000 0.261 357 L C -2.393 174.412 176.870 -0.109 0.000 0.927 357 L CA 0.562 55.334 54.840 -0.114 0.000 0.968 357 L CB 3.482 45.476 42.059 -0.108 0.000 1.432 357 L HN -0.308 7.692 8.230 -0.384 0.000 0.439 358 V N 4.321 124.211 119.914 -0.041 0.000 2.914 358 V HA 0.748 nan 4.120 nan 0.000 0.314 358 V C -2.173 173.894 176.094 -0.045 0.000 1.084 358 V CA -2.206 60.113 62.300 0.032 0.000 0.963 358 V CB 3.877 35.786 31.823 0.143 0.000 1.025 358 V HN 0.720 8.866 8.190 -0.073 0.000 0.432 359 S N 1.804 117.510 115.700 0.010 0.000 2.548 359 S HA 0.523 nan 4.470 nan 0.000 0.276 359 S C -2.107 172.472 174.600 -0.034 0.000 1.129 359 S CA -1.519 56.645 58.200 -0.061 0.000 0.931 359 S CB 2.663 65.828 63.200 -0.057 0.000 1.068 359 S HN 0.146 8.505 8.310 0.081 0.000 0.480 360 L N 2.846 123.915 121.223 -0.256 0.000 2.334 360 L HA 0.812 nan 4.340 nan 0.000 0.275 360 L C -1.533 175.002 176.870 -0.559 0.000 1.036 360 L CA -0.803 53.873 54.840 -0.273 0.000 0.807 360 L CB 1.245 43.099 42.059 -0.342 0.000 1.231 360 L HN 0.008 8.055 8.230 -0.305 0.000 0.438 361 F N 0.051 119.854 119.950 -0.245 0.000 2.556 361 F HA 0.678 nan 4.527 nan 0.000 0.314 361 F C -0.825 174.872 175.800 -0.172 0.000 1.106 361 F CA -1.598 56.296 58.000 -0.178 0.000 0.911 361 F CB 3.923 42.834 39.000 -0.148 0.000 1.190 361 F HN 0.125 8.418 8.300 -0.011 0.000 0.448 362 G N 0.495 109.277 108.800 -0.029 0.000 2.684 362 G HA2 0.311 nan 3.960 nan 0.000 0.290 362 G HA3 0.311 nan 3.960 nan 0.000 0.290 362 G C -1.087 173.809 174.900 -0.007 0.000 1.425 362 G CA -0.626 44.452 45.100 -0.038 0.000 0.822 362 G HN 0.150 8.406 8.290 -0.057 0.000 0.482 363 N N -0.723 117.983 118.700 0.010 0.000 2.519 363 N HA -0.274 nan 4.740 nan 0.000 0.186 363 N C 0.506 176.020 175.510 0.007 0.000 1.062 363 N CA 2.486 55.550 53.050 0.023 0.000 0.910 363 N CB -0.069 38.441 38.487 0.039 0.000 0.958 363 N HN 0.187 8.574 8.380 0.011 0.000 0.445 364 E N -1.442 118.748 120.200 -0.017 0.000 2.127 364 E HA 0.137 nan 4.350 nan 0.000 0.191 364 E C -0.087 176.481 176.600 -0.054 0.000 0.964 364 E CA 0.668 57.047 56.400 -0.034 0.000 0.832 364 E CB 1.166 30.832 29.700 -0.056 0.000 0.790 364 E HN -0.006 8.279 8.360 -0.026 0.059 0.465 365 G N -1.478 107.274 108.800 -0.080 0.000 2.335 365 G HA2 -0.066 nan 3.960 nan 0.000 0.291 365 G HA3 -0.066 nan 3.960 nan 0.000 0.291 365 G C -3.143 171.643 174.900 -0.191 0.000 1.261 365 G CA -0.091 44.947 45.100 -0.104 0.000 0.871 365 G HN -0.710 7.530 8.290 -0.083 0.000 0.491 366 N N -2.520 116.017 118.700 -0.272 0.000 2.455 366 N HA 0.620 nan 4.740 nan 0.000 0.278 366 N C -1.692 173.561 175.510 -0.429 0.000 1.291 366 N CA -0.965 51.768 53.050 -0.529 0.000 0.780 366 N CB 3.584 41.493 38.487 -0.963 0.000 1.520 366 N HN -0.001 8.252 8.380 -0.211 0.000 0.486 367 S N -0.694 114.710 115.700 -0.495 0.000 2.681 367 S HA 0.259 nan 4.470 nan 0.000 0.299 367 S C -0.046 174.388 174.600 -0.276 0.000 1.113 367 S CA -1.225 56.825 58.200 -0.249 0.000 1.013 367 S CB 2.703 65.834 63.200 -0.116 0.000 1.076 367 S HN 0.214 8.073 8.310 -0.752 0.000 0.534 368 R N -0.014 120.342 120.500 -0.240 0.000 3.151 368 R HA -0.170 nan 4.340 nan 0.000 0.283 368 R C -0.837 175.158 176.300 -0.508 0.000 1.140 368 R CA 0.703 56.555 56.100 -0.414 0.000 1.162 368 R CB 0.239 30.175 30.300 -0.605 0.000 1.121 368 R HN 0.257 8.466 8.270 -0.102 0.000 0.552 369 Q N -1.617 117.863 119.800 -0.533 0.000 2.398 369 Q HA 0.172 nan 4.340 nan 0.000 0.251 369 Q C -0.683 174.926 176.000 -0.651 0.000 0.999 369 Q CA -0.609 54.929 55.803 -0.443 0.000 0.874 369 Q CB 0.572 29.156 28.738 -0.256 0.000 1.215 369 Q HN 0.100 8.050 8.270 -0.532 0.000 0.470 370 Y N 5.189 125.225 120.300 -0.439 0.000 2.327 370 Y HA 0.019 nan 4.550 nan 0.000 0.336 370 Y C -0.387 175.330 175.900 -0.304 0.000 1.035 370 Y CA -0.748 57.046 58.100 -0.511 0.000 1.165 370 Y CB 0.977 38.697 38.460 -1.235 0.000 1.181 370 Y HN 0.482 8.479 8.280 -0.472 0.000 0.494 371 E N 4.395 124.578 120.200 -0.028 0.000 2.492 371 E HA -0.124 nan 4.350 nan 0.000 0.266 371 E C -0.718 175.934 176.600 0.087 0.000 1.187 371 E CA 1.704 58.123 56.400 0.033 0.000 1.036 371 E CB 0.362 30.102 29.700 0.067 0.000 0.994 371 E HN 0.555 8.899 8.360 -0.027 0.000 0.468 372 I N -0.881 119.749 120.570 0.100 0.000 4.881 372 I HA 0.147 nan 4.170 nan 0.000 0.319 372 I C -1.457 174.747 176.117 0.145 0.000 1.205 372 I CA 0.034 61.432 61.300 0.164 0.000 1.368 372 I CB 2.679 40.806 38.000 0.212 0.000 1.484 372 I HN -0.069 8.182 8.210 0.067 0.000 0.486 373 Y N -0.908 119.361 120.300 -0.052 0.000 2.670 373 Y HA 0.110 nan 4.550 nan 0.000 0.334 373 Y C -2.658 173.118 175.900 -0.206 0.000 1.185 373 Y CA -1.081 56.902 58.100 -0.194 0.000 1.053 373 Y CB 3.498 41.702 38.460 -0.427 0.000 1.298 373 Y HN -0.910 7.424 8.280 0.090 0.000 0.459 374 K N 2.555 122.056 120.400 -1.498 0.000 2.571 374 K HA 0.409 nan 4.320 nan 0.000 0.252 374 K C -1.845 174.070 176.600 -1.142 0.000 0.956 374 K CA -0.745 54.902 56.287 -1.067 0.000 0.822 374 K CB 2.504 34.395 32.500 -1.015 0.000 1.286 374 K HN 0.029 6.761 8.250 -2.530 0.000 0.439 375 G N 4.041 112.548 108.800 -0.487 0.000 2.491 375 G HA2 -0.063 nan 3.960 nan 0.000 0.183 375 G HA3 -0.063 nan 3.960 nan 0.000 0.183 375 G C -2.245 172.719 174.900 0.107 0.000 1.221 375 G CA 1.043 46.063 45.100 -0.133 0.000 0.996 375 G HN 0.618 8.726 8.290 -0.304 0.000 0.474 376 T N 4.785 119.446 114.554 0.179 0.000 2.840 376 T HA 0.083 nan 4.350 nan 0.000 0.276 376 T C 0.403 175.199 174.700 0.161 0.000 0.912 376 T CA 1.914 64.090 62.100 0.125 0.000 1.116 376 T CB -1.369 67.550 68.868 0.085 0.000 0.895 376 T HN 0.103 8.462 8.240 0.199 0.000 0.570 377 L N 6.834 128.124 121.223 0.112 0.000 2.426 377 L HA 0.077 nan 4.340 nan 0.000 0.271 377 L C -0.957 175.896 176.870 -0.028 0.000 1.169 377 L CA 0.516 55.392 54.840 0.060 0.000 0.836 377 L CB 0.744 42.785 42.059 -0.029 0.000 1.112 377 L HN 0.369 8.642 8.230 0.071 0.000 0.465 378 Q N -1.809 117.958 119.800 -0.055 0.000 2.617 378 Q HA 0.263 nan 4.340 nan 0.000 0.270 378 Q C -2.773 173.162 176.000 -0.108 0.000 0.967 378 Q CA -2.704 53.050 55.803 -0.083 0.000 0.887 378 Q CB 1.656 30.358 28.738 -0.061 0.000 1.516 378 Q HN 0.017 8.258 8.270 -0.047 0.000 0.395 379 P HA -0.024 nan 4.420 nan 0.000 0.276 379 P C -1.122 176.109 177.300 -0.114 0.000 1.230 379 P CA 0.730 63.763 63.100 -0.111 0.000 0.776 379 P CB 0.152 31.796 31.700 -0.094 0.000 0.888 380 D N -0.614 119.711 120.400 -0.125 0.000 2.075 380 D HA -0.385 nan 4.640 nan 0.000 0.168 380 D C -0.707 175.498 176.300 -0.158 0.000 1.113 380 D CA 1.727 55.654 54.000 -0.122 0.000 1.082 380 D CB -0.788 39.954 40.800 -0.097 0.000 1.171 380 D HN 0.716 8.894 8.370 -0.132 0.113 0.531 381 N N 1.781 120.352 118.700 -0.215 0.000 2.454 381 N HA -0.093 nan 4.740 nan 0.000 0.260 381 N C -0.767 174.526 175.510 -0.360 0.000 1.218 381 N CA 1.405 54.250 53.050 -0.342 0.000 0.904 381 N CB 0.634 38.808 38.487 -0.523 0.000 1.065 381 N HN -0.466 7.705 8.380 -0.197 0.090 0.462 382 T N 4.403 118.769 114.554 -0.313 0.000 2.799 382 T HA 0.422 nan 4.350 nan 0.000 0.286 382 T C -0.780 173.763 174.700 -0.263 0.000 0.973 382 T CA -0.140 61.830 62.100 -0.216 0.000 1.035 382 T CB 0.918 69.720 68.868 -0.110 0.000 0.932 382 T HN 0.298 8.378 8.240 -0.267 0.000 0.469 383 H N 6.760 125.785 119.070 -0.075 0.000 2.690 383 H HA 0.387 nan 4.556 nan 0.000 0.368 383 H C -1.905 173.433 175.328 0.016 0.000 1.150 383 H CA -1.234 54.766 56.048 -0.080 0.000 1.174 383 H CB 3.895 33.571 29.762 -0.142 0.000 1.684 383 H HN 1.018 9.207 8.280 0.028 0.108 0.538 384 S N 0.556 116.365 115.700 0.181 0.000 2.618 384 S HA 0.580 nan 4.470 nan 0.000 0.277 384 S C -2.124 172.527 174.600 0.085 0.000 1.138 384 S CA -0.822 57.446 58.200 0.112 0.000 0.844 384 S CB 2.370 65.602 63.200 0.054 0.000 1.127 384 S HN 0.047 8.475 8.310 0.196 0.000 0.474 385 D N 0.377 120.803 120.400 0.044 0.000 2.755 385 D HA 0.397 nan 4.640 nan 0.000 0.277 385 D C -2.683 173.544 176.300 -0.122 0.000 1.261 385 D CA -0.036 53.959 54.000 -0.007 0.000 0.759 385 D CB 3.681 44.527 40.800 0.076 0.000 1.279 385 D HN 0.580 8.976 8.370 0.043 0.000 0.420 386 E N -2.439 117.614 120.200 -0.245 0.000 2.312 386 E HA 0.968 nan 4.350 nan 0.000 0.267 386 E C -1.517 174.883 176.600 -0.333 0.000 0.894 386 E CA -1.579 54.513 56.400 -0.514 0.000 0.773 386 E CB 3.666 32.905 29.700 -0.768 0.000 1.241 386 E HN 0.105 8.551 8.360 -0.206 -0.210 0.432 387 F N -4.119 115.665 119.950 -0.277 0.000 2.626 387 F HA 0.342 nan 4.527 nan 0.000 0.311 387 F C -2.497 173.109 175.800 -0.324 0.000 1.088 387 F CA -2.336 55.492 58.000 -0.286 0.000 0.949 387 F CB 2.435 41.239 39.000 -0.326 0.000 1.322 387 F HN 0.364 7.983 8.300 -1.134 0.000 0.461 388 D N 1.828 122.218 120.400 -0.015 0.000 2.505 388 D HA 0.110 nan 4.640 nan 0.000 0.242 388 D C -0.895 175.412 176.300 0.012 0.000 1.136 388 D CA -0.346 53.668 54.000 0.023 0.000 0.954 388 D CB -0.890 39.966 40.800 0.092 0.000 1.002 388 D HN 0.092 8.459 8.370 -0.005 0.000 0.512 389 S N 1.755 117.497 115.700 0.069 0.000 2.552 389 S HA -0.226 nan 4.470 nan 0.000 0.289 389 S C 0.700 175.499 174.600 0.332 0.000 1.304 389 S CA 0.593 58.870 58.200 0.128 0.000 1.063 389 S CB 0.861 64.319 63.200 0.430 0.000 0.848 389 S HN 0.092 8.517 8.310 0.192 0.000 0.499 390 D N 5.567 126.184 120.400 0.361 0.000 2.319 390 D HA 0.095 nan 4.640 nan 0.000 0.230 390 D C -0.250 176.160 176.300 0.183 0.000 1.094 390 D CA -0.174 54.018 54.000 0.320 0.000 0.856 390 D CB -0.148 40.792 40.800 0.234 0.000 0.915 390 D HN -0.012 8.652 8.370 0.491 0.000 0.517 391 V N -1.099 118.842 119.914 0.045 0.000 2.638 391 V HA 0.152 nan 4.120 nan 0.000 0.306 391 V C -1.495 174.311 176.094 -0.480 0.000 1.052 391 V CA -1.673 60.481 62.300 -0.243 0.000 0.885 391 V CB 2.838 34.570 31.823 -0.151 0.000 0.999 391 V HN -0.230 7.966 8.190 0.157 0.087 0.424 392 E N 5.602 125.197 120.200 -1.008 0.000 2.044 392 E HA 0.049 nan 4.350 nan 0.000 0.282 392 E C 0.034 176.412 176.600 -0.370 0.000 1.031 392 E CA -0.265 55.568 56.400 -0.945 0.000 0.824 392 E CB 0.006 28.799 29.700 -1.511 0.000 1.076 392 E HN 0.054 7.767 8.360 -1.077 0.000 0.395 393 V N 2.721 122.555 119.914 -0.134 0.000 2.667 393 V HA 0.094 nan 4.120 nan 0.000 0.252 393 V C 0.008 176.058 176.094 -0.074 0.000 1.065 393 V CA -0.060 62.155 62.300 -0.142 0.000 1.083 393 V CB 0.163 31.853 31.823 -0.221 0.000 0.692 393 V HN 0.190 8.413 8.190 0.056 0.000 0.468 394 G N 0.406 109.211 108.800 0.008 0.000 2.503 394 G HA2 -0.448 nan 3.960 nan 0.000 0.235 394 G HA3 -0.448 nan 3.960 nan 0.000 0.235 394 G C -1.753 173.196 174.900 0.081 0.000 1.179 394 G CA -0.443 44.685 45.100 0.048 0.000 0.944 394 G HN -0.712 7.659 8.290 0.092 -0.025 0.580 395 D N 4.287 124.734 120.400 0.079 0.000 2.325 395 D HA 0.201 nan 4.640 nan 0.000 0.251 395 D C -0.197 176.057 176.300 -0.077 0.000 1.196 395 D CA 0.368 54.427 54.000 0.098 0.000 0.866 395 D CB 0.880 41.790 40.800 0.184 0.000 1.101 395 D HN -0.021 8.729 8.370 0.069 -0.339 0.476 396 L N 4.371 125.339 121.223 -0.424 0.000 2.490 396 L HA -0.223 nan 4.340 nan 0.000 0.274 396 L C -0.290 176.565 176.870 -0.025 0.000 1.201 396 L CA 1.504 56.150 54.840 -0.324 0.000 0.869 396 L CB -0.047 41.716 42.059 -0.493 0.000 1.123 396 L HN 0.443 8.175 8.230 -0.830 0.000 0.484 397 Q N 3.288 123.133 119.800 0.075 0.000 2.462 397 Q HA 0.066 nan 4.340 nan 0.000 0.224 397 Q C -0.052 176.111 176.000 0.271 0.000 0.911 397 Q CA 0.865 56.775 55.803 0.179 0.000 0.925 397 Q CB 1.776 30.579 28.738 0.108 0.000 1.063 397 Q HN 0.639 8.811 8.270 0.020 0.110 0.572 398 K N -4.056 116.355 120.400 0.018 0.000 2.399 398 K HA 0.658 nan 4.320 nan 0.000 0.260 398 K C -2.092 174.157 176.600 -0.585 0.000 1.049 398 K CA -1.588 54.559 56.287 -0.234 0.000 0.890 398 K CB 4.288 36.696 32.500 -0.153 0.000 1.430 398 K HN -0.561 7.691 8.250 0.004 0.000 0.459 399 V N -6.942 112.595 119.914 -0.629 0.000 3.167 399 V HA 0.854 nan 4.120 nan 0.000 0.310 399 V C -1.897 174.130 176.094 -0.112 0.000 1.207 399 V CA -2.763 59.369 62.300 -0.280 0.000 1.059 399 V CB 3.527 35.104 31.823 -0.409 0.000 1.079 399 V HN -0.217 7.653 8.190 -0.533 0.000 0.446 400 K N -1.779 118.657 120.400 0.060 0.000 2.444 400 K HA 0.830 nan 4.320 nan 0.000 0.252 400 K C -2.268 174.447 176.600 0.193 0.000 0.993 400 K CA -1.567 54.770 56.287 0.083 0.000 0.847 400 K CB 4.671 37.197 32.500 0.044 0.000 1.340 400 K HN 0.136 8.471 8.250 0.143 0.000 0.446 401 F N 0.641 120.616 119.950 0.041 0.000 2.576 401 F HA 0.848 nan 4.527 nan 0.000 0.313 401 F C -2.475 173.391 175.800 0.109 0.000 1.078 401 F CA -1.597 56.452 58.000 0.080 0.000 0.921 401 F CB 4.287 43.339 39.000 0.087 0.000 1.232 401 F HN 0.268 8.732 8.300 0.274 0.000 0.459 402 I N 1.188 121.398 120.570 -0.601 0.000 2.828 402 I HA 0.327 nan 4.170 nan 0.000 0.295 402 I C -3.480 172.413 176.117 -0.373 0.000 1.459 402 I CA -0.646 60.469 61.300 -0.308 0.000 1.015 402 I CB 3.579 41.502 38.000 -0.128 0.000 1.345 402 I HN 0.326 7.978 8.210 -0.930 0.000 0.449 403 W N 2.643 123.755 121.300 -0.313 0.000 3.047 403 W HA 0.730 nan 4.660 nan 0.000 0.341 403 W C -2.970 173.546 176.519 -0.005 0.000 1.225 403 W CA -1.933 55.271 57.345 -0.234 0.000 1.150 403 W CB 3.431 32.786 29.460 -0.176 0.000 1.470 403 W HN -0.133 7.953 8.180 -0.158 0.000 0.578 404 Y N -5.509 114.861 120.300 0.117 0.000 2.662 404 Y HA 0.106 nan 4.550 nan 0.000 0.334 404 Y C -1.930 174.030 175.900 0.101 0.000 1.185 404 Y CA -0.865 57.142 58.100 -0.155 0.000 1.074 404 Y CB 1.744 40.067 38.460 -0.228 0.000 1.330 404 Y HN -0.311 8.083 8.280 0.190 0.000 0.458 405 N N -0.875 117.999 118.700 0.291 0.000 2.862 405 N HA -0.322 nan 4.740 nan 0.000 0.248 405 N C -1.625 174.035 175.510 0.251 0.000 1.116 405 N CA 1.056 54.284 53.050 0.297 0.000 0.727 405 N CB -0.878 37.893 38.487 0.472 0.000 1.083 405 N HN 0.136 8.746 8.380 0.108 -0.166 0.555 406 V N -1.461 118.631 119.914 0.296 0.000 2.614 406 V HA 0.152 nan 4.120 nan 0.000 0.281 406 V C -1.483 174.789 176.094 0.297 0.000 1.031 406 V CA -0.239 62.216 62.300 0.258 0.000 0.899 406 V CB 2.339 34.303 31.823 0.235 0.000 1.037 406 V HN -0.709 7.842 8.190 0.390 -0.127 0.456 407 I N 1.289 121.957 120.570 0.164 0.000 2.478 407 I HA 0.416 nan 4.170 nan 0.000 0.287 407 I C -1.331 174.844 176.117 0.096 0.000 1.042 407 I CA -1.126 60.262 61.300 0.148 0.000 1.067 407 I CB 2.357 40.400 38.000 0.071 0.000 1.233 407 I HN 0.001 8.278 8.210 0.112 0.000 0.431 408 N N 8.371 127.129 118.700 0.096 0.000 2.354 408 N HA 0.158 nan 4.740 nan 0.000 0.246 408 N C -0.081 175.463 175.510 0.056 0.000 1.285 408 N CA -1.548 51.541 53.050 0.065 0.000 0.925 408 N CB 0.251 38.774 38.487 0.060 0.000 1.174 408 N HN 0.066 8.517 8.380 0.119 0.000 0.478 409 P HA -0.237 nan 4.420 nan 0.000 0.219 409 P C -0.031 177.294 177.300 0.042 0.000 1.149 409 P CA 1.864 64.985 63.100 0.034 0.000 0.835 409 P CB -0.054 31.661 31.700 0.025 0.000 0.778 410 T N -2.686 111.899 114.554 0.051 0.000 2.684 410 T HA -0.217 nan 4.350 nan 0.000 0.267 410 T C 1.050 175.793 174.700 0.072 0.000 1.032 410 T CA 2.159 64.294 62.100 0.058 0.000 1.155 410 T CB -0.043 68.865 68.868 0.066 0.000 0.857 410 T HN -0.371 8.233 8.240 0.048 -0.334 0.457 411 L N -2.723 118.553 121.223 0.089 0.000 3.632 411 L HA -0.246 nan 4.340 nan 0.000 0.510 411 L C -1.788 175.178 176.870 0.160 0.000 1.299 411 L CA -0.886 54.021 54.840 0.111 0.000 0.829 411 L CB -1.876 40.227 42.059 0.074 0.000 1.559 411 L HN -0.326 7.806 8.230 0.083 0.148 0.857 412 P HA -0.006 nan 4.420 nan 0.000 0.270 412 P C -1.381 176.099 177.300 0.301 0.000 1.221 412 P CA 0.093 63.315 63.100 0.203 0.000 0.788 412 P CB 0.641 32.458 31.700 0.193 0.000 0.904 413 R N -2.796 117.811 120.500 0.178 0.000 2.686 413 R HA 0.655 nan 4.340 nan 0.000 0.283 413 R C -1.475 174.827 176.300 0.003 0.000 0.978 413 R CA -0.802 55.428 56.100 0.217 0.000 0.897 413 R CB 3.024 33.422 30.300 0.164 0.000 1.192 413 R HN -0.035 8.287 8.270 0.086 0.000 0.457 414 V N 1.108 120.989 119.914 -0.056 0.000 2.962 414 V HA 0.824 nan 4.120 nan 0.000 0.313 414 V C -1.418 174.661 176.094 -0.026 0.000 1.099 414 V CA -2.256 59.878 62.300 -0.277 0.000 0.971 414 V CB 3.771 35.071 31.823 -0.872 0.000 1.028 414 V HN 0.659 9.013 8.190 0.273 0.000 0.430 415 G N 1.281 109.969 108.800 -0.187 0.000 2.706 415 G HA2 0.746 nan 3.960 nan 0.000 0.307 415 G HA3 0.746 nan 3.960 nan 0.000 0.307 415 G C -2.894 171.549 174.900 -0.762 0.000 1.307 415 G CA -0.215 44.644 45.100 -0.401 0.000 0.790 415 G HN 0.274 8.351 8.290 -0.228 0.076 0.503 416 A N -2.031 120.376 122.820 -0.688 0.000 2.411 416 A HA 0.591 nan 4.320 nan 0.000 0.285 416 A C -0.205 177.231 177.584 -0.246 0.000 1.129 416 A CA -1.198 50.517 52.037 -0.537 0.000 0.736 416 A CB 1.399 19.993 19.000 -0.677 0.000 1.186 416 A HN 0.047 7.908 8.150 -0.480 0.000 0.445 417 S N 4.410 120.013 115.700 -0.163 0.000 2.356 417 S HA -0.251 nan 4.470 nan 0.000 0.223 417 S C 0.388 174.960 174.600 -0.047 0.000 1.032 417 S CA 3.663 61.809 58.200 -0.090 0.000 1.005 417 S CB 0.611 63.766 63.200 -0.075 0.000 0.867 417 S HN 0.471 8.678 8.310 -0.172 0.000 0.449 418 K N -0.195 120.184 120.400 -0.035 0.000 2.501 418 K HA 0.517 nan 4.320 nan 0.000 0.252 418 K C -2.719 173.914 176.600 0.054 0.000 0.934 418 K CA -0.353 55.949 56.287 0.024 0.000 0.797 418 K CB 3.407 35.917 32.500 0.017 0.000 1.270 418 K HN -0.966 7.248 8.250 -0.060 0.000 0.431 419 I N 4.322 124.977 120.570 0.141 0.000 2.436 419 I HA 0.614 nan 4.170 nan 0.000 0.289 419 I C -1.726 174.559 176.117 0.280 0.000 1.010 419 I CA -1.568 59.848 61.300 0.193 0.000 1.098 419 I CB 2.747 40.873 38.000 0.211 0.000 1.266 419 I HN 0.813 9.031 8.210 0.189 0.106 0.434 420 T N 4.876 119.559 114.554 0.215 0.000 2.797 420 T HA 0.556 nan 4.350 nan 0.000 0.279 420 T C -1.195 173.656 174.700 0.252 0.000 0.991 420 T CA -2.306 59.935 62.100 0.236 0.000 0.979 420 T CB 1.177 70.123 68.868 0.131 0.000 0.943 420 T HN 0.079 8.418 8.240 0.164 0.000 0.444 421 V N 5.055 125.178 119.914 0.349 0.000 2.398 421 V HA 0.567 nan 4.120 nan 0.000 0.286 421 V C -1.397 174.911 176.094 0.357 0.000 1.026 421 V CA -1.353 61.125 62.300 0.296 0.000 0.868 421 V CB 0.631 32.622 31.823 0.279 0.000 0.982 421 V HN 0.623 9.082 8.190 0.449 0.000 0.443 422 E N 6.935 127.309 120.200 0.290 0.000 2.092 422 E HA 0.413 nan 4.350 nan 0.000 0.271 422 E C -0.776 176.146 176.600 0.537 0.000 0.919 422 E CA -2.125 54.507 56.400 0.388 0.000 0.760 422 E CB 2.669 32.596 29.700 0.379 0.000 1.106 422 E HN 0.652 9.121 8.360 0.181 0.000 0.408 423 R N 5.692 126.537 120.500 0.575 0.000 2.817 423 R HA -0.305 nan 4.340 nan 0.000 0.264 423 R C 1.685 178.265 176.300 0.467 0.000 1.009 423 R CA 2.002 58.412 56.100 0.516 0.000 1.133 423 R CB 0.400 30.960 30.300 0.435 0.000 1.013 423 R HN -0.128 8.479 8.270 0.563 0.000 0.453 424 N N 2.636 121.533 118.700 0.329 0.000 2.364 424 N HA -0.324 nan 4.740 nan 0.000 0.183 424 N C 1.232 176.720 175.510 -0.035 0.000 1.022 424 N CA 2.949 56.004 53.050 0.010 0.000 0.883 424 N CB -1.111 37.566 38.487 0.318 0.000 0.965 424 N HN 0.465 8.957 8.380 0.186 0.000 0.438 425 D N -0.061 120.386 120.400 0.078 0.000 2.157 425 D HA -0.349 nan 4.640 nan 0.000 0.191 425 D C 1.088 177.396 176.300 0.014 0.000 1.004 425 D CA 2.553 56.594 54.000 0.068 0.000 0.854 425 D CB 0.020 40.893 40.800 0.121 0.000 0.936 425 D HN -0.130 8.319 8.370 0.130 -0.001 0.446 426 G N -2.893 105.911 108.800 0.007 0.000 2.617 426 G HA2 -0.334 nan 3.960 nan 0.000 0.197 426 G HA3 -0.334 nan 3.960 nan 0.000 0.197 426 G C -0.750 174.161 174.900 0.020 0.000 1.017 426 G CA -0.420 44.668 45.100 -0.021 0.000 0.713 426 G HN -0.339 7.860 8.290 0.056 0.125 0.481 427 K N 2.174 122.584 120.400 0.016 0.000 2.586 427 K HA -0.269 nan 4.320 nan 0.000 0.280 427 K C -1.379 175.217 176.600 -0.005 0.000 0.972 427 K CA 1.300 57.543 56.287 -0.073 0.000 1.040 427 K CB 0.616 33.004 32.500 -0.186 0.000 0.870 427 K HN -0.403 7.802 8.250 0.030 0.064 0.497 428 V N 2.250 122.109 119.914 -0.093 0.000 2.540 428 V HA 0.395 nan 4.120 nan 0.000 0.302 428 V C -0.793 175.249 176.094 -0.086 0.000 1.035 428 V CA -1.496 60.817 62.300 0.021 0.000 0.873 428 V CB 1.503 33.343 31.823 0.030 0.000 0.992 428 V HN -0.080 8.003 8.190 -0.178 0.000 0.428 429 Y N 6.191 126.523 120.300 0.054 0.000 2.377 429 Y HA 0.183 nan 4.550 nan 0.000 0.339 429 Y C -1.261 174.513 175.900 -0.210 0.000 1.011 429 Y CA -1.405 56.644 58.100 -0.085 0.000 1.093 429 Y CB 3.351 41.845 38.460 0.056 0.000 1.201 429 Y HN 0.842 9.270 8.280 0.429 0.110 0.455 430 D N 2.019 122.240 120.400 -0.297 0.000 2.256 430 D HA 0.628 nan 4.640 nan 0.000 0.246 430 D C -0.811 175.116 176.300 -0.621 0.000 1.042 430 D CA -0.570 53.263 54.000 -0.278 0.000 0.841 430 D CB 2.756 43.471 40.800 -0.143 0.000 1.223 430 D HN 0.208 8.385 8.370 -0.320 0.000 0.470 431 F N 1.956 121.948 119.950 0.070 0.000 2.561 431 F HA 0.515 nan 4.527 nan 0.000 0.313 431 F C -1.249 174.564 175.800 0.021 0.000 1.126 431 F CA -1.236 56.793 58.000 0.049 0.000 0.918 431 F CB 4.330 43.364 39.000 0.057 0.000 1.199 431 F HN 0.226 8.591 8.300 0.108 0.000 0.444 432 c N 3.626 122.320 118.600 0.157 0.000 2.712 432 c HA 0.830 nan 4.570 nan 0.000 0.308 432 c C -1.936 172.184 174.090 0.050 0.000 1.201 432 c CA -1.352 55.018 56.329 0.069 0.000 1.554 432 c CB 3.762 46.287 42.510 0.025 0.000 2.117 432 c HN 1.135 9.469 8.230 0.173 0.000 0.480 433 S N -0.043 115.661 115.700 0.008 0.000 2.550 433 S HA 0.134 nan 4.470 nan 0.000 0.270 433 S C -1.137 173.443 174.600 -0.032 0.000 1.145 433 S CA -1.199 56.996 58.200 -0.008 0.000 0.852 433 S CB 1.515 64.709 63.200 -0.011 0.000 1.119 433 S HN 0.554 8.735 8.310 -0.011 0.122 0.465 434 Q N 1.083 120.868 119.800 -0.025 0.000 2.219 434 Q HA 0.205 nan 4.340 nan 0.000 0.209 434 Q C 0.092 176.074 176.000 -0.031 0.000 0.854 434 Q CA -0.513 55.270 55.803 -0.033 0.000 0.960 434 Q CB 0.429 29.153 28.738 -0.024 0.000 1.116 434 Q HN 0.350 8.611 8.270 -0.015 0.000 0.500 435 E N 1.633 121.818 120.200 -0.025 0.000 2.404 435 E HA -0.053 nan 4.350 nan 0.000 0.261 435 E C -0.937 175.651 176.600 -0.019 0.000 1.074 435 E CA 0.676 57.071 56.400 -0.010 0.000 0.917 435 E CB 1.315 31.018 29.700 0.006 0.000 0.965 435 E HN -0.661 7.620 8.360 -0.024 0.065 0.433 436 T N -4.864 109.699 114.554 0.014 0.000 2.940 436 T HA 0.748 nan 4.350 nan 0.000 0.288 436 T C -0.772 173.999 174.700 0.119 0.000 1.045 436 T CA -2.359 59.769 62.100 0.045 0.000 1.018 436 T CB 2.623 71.515 68.868 0.040 0.000 1.151 436 T HN -0.085 8.168 8.240 0.022 0.000 0.529 437 V N -6.203 113.849 119.914 0.230 0.000 3.114 437 V HA 0.678 nan 4.120 nan 0.000 0.308 437 V C -2.155 174.213 176.094 0.456 0.000 1.168 437 V CA -2.355 60.113 62.300 0.281 0.000 1.015 437 V CB 3.791 35.789 31.823 0.290 0.000 1.050 437 V HN 0.818 9.067 8.190 0.274 0.105 0.433 438 R N -0.638 120.048 120.500 0.310 0.000 2.607 438 R HA 0.541 nan 4.340 nan 0.000 0.261 438 R C -0.605 175.633 176.300 -0.103 0.000 1.051 438 R CA -1.613 54.672 56.100 0.309 0.000 1.110 438 R CB 1.468 31.854 30.300 0.143 0.000 1.158 438 R HN 0.294 8.675 8.270 0.186 0.000 0.543 439 E N -0.499 119.289 120.200 -0.686 0.000 2.418 439 E HA -0.227 nan 4.350 nan 0.000 0.261 439 E C 0.076 176.288 176.600 -0.647 0.000 1.070 439 E CA 0.373 55.895 56.400 -1.463 0.000 0.931 439 E CB -0.095 28.535 29.700 -1.783 0.000 0.954 439 E HN 0.029 8.137 8.360 -0.421 0.000 0.439 440 E N -1.630 118.247 120.200 -0.539 0.000 2.476 440 E HA -0.530 nan 4.350 nan 0.000 0.251 440 E C -1.728 174.760 176.600 -0.186 0.000 1.130 440 E CA 1.297 57.531 56.400 -0.277 0.000 0.736 440 E CB -1.120 28.442 29.700 -0.230 0.000 1.298 440 E HN 0.296 8.256 8.360 -0.667 0.000 0.400 441 V N -3.898 115.921 119.914 -0.158 0.000 2.604 441 V HA 0.193 nan 4.120 nan 0.000 0.305 441 V C -0.621 175.488 176.094 0.026 0.000 1.043 441 V CA -1.931 60.342 62.300 -0.045 0.000 0.888 441 V CB 2.275 34.096 31.823 -0.002 0.000 0.995 441 V HN -0.620 7.397 8.190 -0.234 0.032 0.429 442 L N 3.876 125.110 121.223 0.018 0.000 2.356 442 L HA 0.156 nan 4.340 nan 0.000 0.282 442 L C -0.549 176.362 176.870 0.068 0.000 1.132 442 L CA -0.636 54.227 54.840 0.039 0.000 0.923 442 L CB -0.463 41.595 42.059 -0.001 0.000 1.278 442 L HN 0.264 8.491 8.230 -0.005 0.000 0.436 443 L N 6.214 127.532 121.223 0.158 0.000 2.433 443 L HA 0.072 nan 4.340 nan 0.000 0.275 443 L C -1.010 175.911 176.870 0.085 0.000 1.128 443 L CA -0.220 54.705 54.840 0.142 0.000 0.875 443 L CB 0.804 43.003 42.059 0.233 0.000 1.171 443 L HN -0.341 8.033 8.230 0.240 0.000 0.463 444 T N 5.795 120.349 114.554 0.000 0.000 2.794 444 T HA 0.190 nan 4.350 nan 0.000 0.296 444 T C -0.285 174.406 174.700 -0.014 0.000 0.949 444 T CA -1.132 60.935 62.100 -0.054 0.000 1.101 444 T CB 0.555 69.337 68.868 -0.144 0.000 0.905 444 T HN 0.137 8.373 8.240 -0.007 0.000 0.516 445 L N 6.599 127.822 121.223 -0.001 0.000 2.357 445 L HA 0.458 nan 4.340 nan 0.000 0.273 445 L C -0.758 176.183 176.870 0.118 0.000 1.080 445 L CA -0.600 54.276 54.840 0.061 0.000 0.803 445 L CB 1.029 43.153 42.059 0.109 0.000 1.174 445 L HN 0.210 8.420 8.230 -0.033 0.000 0.443 446 N N 1.737 120.547 118.700 0.184 0.000 2.471 446 N HA 0.559 nan 4.740 nan 0.000 0.288 446 N C -2.767 172.948 175.510 0.341 0.000 1.220 446 N CA -2.364 50.838 53.050 0.252 0.000 0.893 446 N CB 2.020 40.578 38.487 0.118 0.000 1.256 446 N HN -0.313 8.153 8.380 0.144 0.000 0.534 447 P HA 0.054 nan 4.420 nan 0.000 0.266 447 P C -1.111 176.171 177.300 -0.030 0.000 1.215 447 P CA 0.344 63.403 63.100 -0.067 0.000 0.763 447 P CB -0.243 31.415 31.700 -0.070 0.000 0.806 448 c N 0.000 118.562 118.600 -0.063 0.000 2.653 448 c HA 0.000 nan 4.570 nan 0.000 0.325 448 c CA 0.000 56.306 56.329 -0.039 0.000 1.963 448 c CB 0.000 42.493 42.510 -0.029 0.000 2.134 448 c HN 0.000 8.161 8.230 -0.116 0.000 0.568