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 1mty_1_D DATA FIRST_RESID 15 DATA SEQUENCE AANRAPTSVN AQEVHRWLQS FNWDFKNNRT KYATKYKMAN ETKEQFKLIA DATA SEQUENCE KEYARMEAVK DERQFGSLQV ALTRLNAGVR VHPKWNETMK VVSNFLEVGE DATA SEQUENCE YNAIAATGML WDSAQAAEQK NGYLAQVLDE IRHTHQCAYV NYYFAKNGQD DATA SEQUENCE PAGHNDARRT RTIGPLWKGM KRVFSDGFIS GDAVECSLNL QLVGEACFTN DATA SEQUENCE PLIVAVTEWA AANGDEITPT VFLSIETDEL RHMANGYQTV VSIANDPASA DATA SEQUENCE KYLNTDLNNA FWTQQKYFTP VLGMLFEYGS KFKVEPWVKT WDRWVYEDWG DATA SEQUENCE GIWIGRLGKY GVESPRSLKD AKQDAYWAHH DLYLLAYALW PTGFFRLALP DATA SEQUENCE DQEEMEWFEA NYPGWYDHYG KIYEEWRARG CEDPSSGFIP LMWFIENNHP DATA SEQUENCE IYIDRVSQVP FCPSLAKGAS TLRVHEYNGE MHTFSDQWGE RMWLAEPERY DATA SEQUENCE ECQNIFEQYE GRELSEVIAE LHGLRSDGKT LIAQPHVRGD KLWTLDDIKR DATA SEQUENCE LNCVFKNPVK AF 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.586 177.584 0.003 0.000 1.274 15 A CA 0.000 52.039 52.037 0.003 0.000 0.836 15 A CB 0.000 19.002 19.000 0.002 0.000 0.831 16 A N -0.707 122.115 122.820 0.003 0.000 2.271 16 A HA 0.291 nan 4.320 nan 0.000 0.288 16 A C -1.058 176.528 177.584 0.003 0.000 1.094 16 A CA -0.135 51.904 52.037 0.003 0.000 0.828 16 A CB 0.547 19.549 19.000 0.004 0.000 1.091 16 A HN 0.020 8.172 8.150 0.003 0.000 0.493 17 N N -0.656 118.046 118.700 0.004 0.000 3.261 17 N HA -0.018 nan 4.740 nan 0.000 0.227 17 N C -2.079 173.433 175.510 0.004 0.000 1.338 17 N CA 0.221 53.273 53.050 0.003 0.000 0.833 17 N CB 0.716 39.205 38.487 0.003 0.000 1.606 17 N HN 0.249 8.631 8.380 0.004 0.000 0.649 18 R N 0.566 121.069 120.500 0.005 0.000 8.347 18 R HA 0.032 nan 4.340 nan 0.000 0.238 18 R C -2.032 174.272 176.300 0.006 0.000 0.834 18 R CA 0.384 56.488 56.100 0.006 0.000 2.005 18 R CB -0.470 29.833 30.300 0.006 0.000 1.161 18 R HN 0.322 8.595 8.270 0.004 0.000 0.985 19 A N 4.796 127.620 122.820 0.007 0.000 2.445 19 A HA 0.143 nan 4.320 nan 0.000 0.242 19 A C -1.829 175.760 177.584 0.009 0.000 1.075 19 A CA -0.670 51.371 52.037 0.008 0.000 0.777 19 A CB -0.160 18.845 19.000 0.008 0.000 1.013 19 A HN 0.126 8.281 8.150 0.007 0.000 0.493 20 P HA 0.014 nan 4.420 nan 0.000 0.267 20 P C -1.377 175.931 177.300 0.012 0.000 1.205 20 P CA 0.137 63.243 63.100 0.010 0.000 0.765 20 P CB 0.433 32.138 31.700 0.009 0.000 0.828 21 T N 2.702 117.265 114.554 0.014 0.000 2.896 21 T HA 0.316 nan 4.350 nan 0.000 0.297 21 T C -0.795 173.917 174.700 0.020 0.000 1.108 21 T CA -0.228 61.882 62.100 0.017 0.000 1.004 21 T CB 2.132 71.011 68.868 0.018 0.000 1.159 21 T HN 0.149 8.397 8.240 0.013 0.000 0.499 22 S N -0.232 115.483 115.700 0.024 0.000 2.880 22 S HA 0.784 nan 4.470 nan 0.000 0.308 22 S C -2.232 172.390 174.600 0.036 0.000 1.195 22 S CA -0.668 57.549 58.200 0.028 0.000 0.866 22 S CB 1.718 64.934 63.200 0.026 0.000 1.254 22 S HN 0.225 8.549 8.310 0.024 0.000 0.571 23 V N 2.320 122.260 119.914 0.043 0.000 2.760 23 V HA 0.432 nan 4.120 nan 0.000 0.309 23 V C -1.708 174.419 176.094 0.056 0.000 1.077 23 V CA -0.552 61.781 62.300 0.055 0.000 0.910 23 V CB 2.399 34.262 31.823 0.067 0.000 1.008 23 V HN 0.419 8.633 8.190 0.040 0.000 0.424 24 N N 6.202 124.936 118.700 0.057 0.000 2.502 24 N HA 0.311 nan 4.740 nan 0.000 0.280 24 N C 0.656 176.206 175.510 0.067 0.000 1.223 24 N CA -1.485 51.596 53.050 0.052 0.000 0.966 24 N CB 1.581 40.090 38.487 0.037 0.000 1.203 24 N HN 0.226 8.975 8.380 0.059 -0.334 0.565 25 A N -0.811 122.046 122.820 0.062 0.000 1.892 25 A HA -0.293 nan 4.320 nan 0.000 0.218 25 A C 1.713 179.351 177.584 0.090 0.000 1.188 25 A CA 3.553 55.637 52.037 0.078 0.000 0.631 25 A CB -1.085 17.951 19.000 0.061 0.000 0.822 25 A HN 0.487 8.667 8.150 0.050 0.000 0.447 26 Q N -2.074 117.756 119.800 0.051 0.000 2.124 26 Q HA -0.283 nan 4.340 nan 0.000 0.202 26 Q C 2.545 178.588 176.000 0.071 0.000 0.977 26 Q CA 2.942 58.769 55.803 0.040 0.000 0.850 26 Q CB -1.130 27.602 28.738 -0.011 0.000 0.901 26 Q HN 0.383 8.713 8.270 0.033 -0.041 0.429 27 E N -0.334 119.913 120.200 0.078 0.000 2.150 27 E HA -0.298 nan 4.350 nan 0.000 0.193 27 E C 2.681 179.382 176.600 0.168 0.000 0.985 27 E CA 2.659 59.121 56.400 0.104 0.000 0.814 27 E CB -0.158 29.603 29.700 0.102 0.000 0.752 27 E HN -0.057 8.661 8.360 0.069 -0.317 0.466 28 V N -1.238 118.776 119.914 0.167 0.000 2.535 28 V HA -0.286 nan 4.120 nan 0.000 0.246 28 V C 2.057 178.238 176.094 0.145 0.000 1.045 28 V CA 4.111 66.536 62.300 0.208 0.000 1.058 28 V CB -0.796 31.139 31.823 0.187 0.000 0.689 28 V HN -0.538 7.635 8.190 0.139 0.101 0.461 29 H N 0.965 120.036 119.070 0.001 0.000 2.421 29 H HA -0.292 nan 4.556 nan 0.000 0.298 29 H C 2.431 177.655 175.328 -0.173 0.000 1.087 29 H CA 3.764 59.758 56.048 -0.091 0.000 1.330 29 H CB 0.121 29.840 29.762 -0.072 0.000 1.388 29 H HN 0.275 8.494 8.280 0.198 0.180 0.526 30 R N 0.584 121.020 120.500 -0.106 0.000 2.154 30 R HA -0.332 nan 4.340 nan 0.000 0.248 30 R C 1.405 177.297 176.300 -0.680 0.000 1.155 30 R CA 3.015 58.887 56.100 -0.381 0.000 0.979 30 R CB -0.351 29.685 30.300 -0.441 0.000 0.869 30 R HN -0.242 8.013 8.270 0.007 0.020 0.452 31 W N -4.347 116.868 121.300 -0.143 0.000 3.220 31 W HA 0.208 nan 4.660 nan 0.000 0.328 31 W C 0.234 176.479 176.519 -0.457 0.000 1.205 31 W CA -0.666 56.593 57.345 -0.144 0.000 1.773 31 W CB 0.734 30.220 29.460 0.043 0.000 1.086 31 W HN -0.561 7.536 8.180 -0.092 0.029 0.622 32 L N 1.948 122.773 121.223 -0.663 0.000 2.083 32 L HA -0.461 nan 4.340 nan 0.000 0.209 32 L C 1.588 178.039 176.870 -0.699 0.000 1.083 32 L CA 3.687 57.798 54.840 -1.214 0.000 0.752 32 L CB -0.041 41.425 42.059 -0.988 0.000 0.899 32 L HN -0.050 7.646 8.230 -0.569 0.192 0.433 33 Q N -1.209 118.348 119.800 -0.405 0.000 2.181 33 Q HA -0.359 nan 4.340 nan 0.000 0.205 33 Q C 2.034 178.027 176.000 -0.012 0.000 0.980 33 Q CA 2.922 58.618 55.803 -0.178 0.000 0.862 33 Q CB -0.621 28.032 28.738 -0.142 0.000 0.905 33 Q HN 0.484 8.481 8.270 -0.455 0.000 0.429 34 S N -0.119 115.622 115.700 0.068 0.000 2.561 34 S HA -0.143 nan 4.470 nan 0.000 0.225 34 S C 0.860 175.717 174.600 0.428 0.000 0.977 34 S CA 2.337 60.690 58.200 0.255 0.000 0.926 34 S CB -0.601 62.809 63.200 0.350 0.000 0.769 34 S HN -0.552 7.737 8.310 -0.000 0.020 0.533 35 F N 1.264 121.314 119.950 0.167 0.000 2.216 35 F HA -0.145 nan 4.527 nan 0.000 0.300 35 F C 0.639 176.634 175.800 0.325 0.000 1.085 35 F CA 1.036 59.161 58.000 0.209 0.000 1.326 35 F CB -0.609 38.487 39.000 0.161 0.000 1.027 35 F HN -0.340 7.928 8.300 0.248 0.181 0.497 36 N N -1.095 117.865 118.700 0.433 0.000 2.530 36 N HA -0.082 nan 4.740 nan 0.000 0.277 36 N C -1.511 174.242 175.510 0.405 0.000 1.168 36 N CA 0.065 53.310 53.050 0.325 0.000 0.979 36 N CB 0.966 39.535 38.487 0.137 0.000 1.141 36 N HN -0.785 7.775 8.380 0.337 0.022 0.459 37 W N 2.416 123.844 121.300 0.212 0.000 2.975 37 W HA 0.322 nan 4.660 nan 0.000 0.342 37 W C -2.042 174.622 176.519 0.243 0.000 1.168 37 W CA -2.093 55.374 57.345 0.202 0.000 1.141 37 W CB 1.786 31.358 29.460 0.188 0.000 1.445 37 W HN -0.322 7.839 8.180 -0.031 0.000 0.560 38 D N 1.795 122.408 120.400 0.355 0.000 2.308 38 D HA 0.143 nan 4.640 nan 0.000 0.251 38 D C -1.215 175.315 176.300 0.383 0.000 1.127 38 D CA 0.521 54.640 54.000 0.199 0.000 0.876 38 D CB 0.321 41.217 40.800 0.160 0.000 1.176 38 D HN -0.074 8.569 8.370 0.455 0.000 0.446 39 F N -0.013 119.936 119.950 -0.002 0.000 2.665 39 F HA 0.261 nan 4.527 nan 0.000 0.308 39 F C 0.223 176.019 175.800 -0.007 0.000 1.112 39 F CA -1.995 56.023 58.000 0.031 0.000 0.972 39 F CB 1.592 40.627 39.000 0.057 0.000 1.295 39 F HN -0.613 7.555 8.300 -0.220 0.000 0.440 40 K N 1.990 122.488 120.400 0.164 0.000 2.052 40 K HA -0.325 nan 4.320 nan 0.000 0.215 40 K C -0.184 176.393 176.600 -0.039 0.000 1.053 40 K CA 2.676 58.992 56.287 0.048 0.000 0.934 40 K CB -0.409 32.139 32.500 0.080 0.000 0.717 40 K HN 0.385 8.780 8.250 0.242 0.000 0.450 41 N N -3.030 115.686 118.700 0.027 0.000 2.362 41 N HA -0.032 nan 4.740 nan 0.000 0.204 41 N C -1.440 173.892 175.510 -0.297 0.000 1.166 41 N CA -0.461 52.560 53.050 -0.047 0.000 0.831 41 N CB 0.029 38.568 38.487 0.087 0.000 1.008 41 N HN -0.228 8.290 8.380 0.229 0.000 0.472 42 N N 2.172 120.404 118.700 -0.780 0.000 2.605 42 N HA -0.082 nan 4.740 nan 0.000 0.258 42 N C -1.319 173.915 175.510 -0.459 0.000 1.156 42 N CA -0.270 52.161 53.050 -1.032 0.000 1.008 42 N CB -0.847 36.683 38.487 -1.594 0.000 1.354 42 N HN -0.508 7.270 8.380 -0.716 0.171 0.509 43 R N 1.100 121.432 120.500 -0.280 0.000 2.734 43 R HA 0.338 nan 4.340 nan 0.000 0.271 43 R C -0.930 175.305 176.300 -0.108 0.000 1.021 43 R CA -1.408 54.596 56.100 -0.160 0.000 0.893 43 R CB 1.234 31.459 30.300 -0.124 0.000 1.244 43 R HN -0.545 7.556 8.270 -0.255 0.016 0.464 44 T N 1.428 115.946 114.554 -0.059 0.000 2.926 44 T HA 0.028 nan 4.350 nan 0.000 0.307 44 T C -0.090 174.570 174.700 -0.066 0.000 1.059 44 T CA 0.946 63.032 62.100 -0.023 0.000 1.122 44 T CB 0.246 69.138 68.868 0.041 0.000 0.972 44 T HN 0.113 8.325 8.240 -0.047 0.000 0.545 45 K N 1.973 122.303 120.400 -0.117 0.000 2.426 45 K HA -0.003 nan 4.320 nan 0.000 0.193 45 K C -0.194 176.111 176.600 -0.492 0.000 1.028 45 K CA 0.826 56.932 56.287 -0.302 0.000 1.047 45 K CB 0.767 33.021 32.500 -0.410 0.000 0.821 45 K HN 0.284 8.875 8.250 -0.059 -0.377 0.513 46 Y N -0.663 119.598 120.300 -0.066 0.000 2.387 46 Y HA -0.043 nan 4.550 nan 0.000 0.336 46 Y C -0.680 175.194 175.900 -0.042 0.000 1.067 46 Y CA -0.773 57.293 58.100 -0.057 0.000 1.114 46 Y CB 1.142 39.564 38.460 -0.063 0.000 1.208 46 Y HN -0.637 7.596 8.280 0.042 0.072 0.458 47 A N 5.214 128.084 122.820 0.084 0.000 2.520 47 A HA -0.010 nan 4.320 nan 0.000 0.245 47 A C -1.444 176.176 177.584 0.060 0.000 1.072 47 A CA 0.956 53.014 52.037 0.036 0.000 0.761 47 A CB 0.578 19.583 19.000 0.009 0.000 1.004 47 A HN 0.146 8.352 8.150 0.094 0.000 0.499 48 T N 0.206 114.779 114.554 0.033 0.000 2.942 48 T HA 0.121 nan 4.350 nan 0.000 0.327 48 T C -0.707 173.978 174.700 -0.025 0.000 1.360 48 T CA -0.491 61.644 62.100 0.058 0.000 1.055 48 T CB 1.647 70.595 68.868 0.134 0.000 1.261 48 T HN -0.408 7.835 8.240 0.006 0.000 0.485 49 K N 3.629 123.949 120.400 -0.134 0.000 2.379 49 K HA 0.149 nan 4.320 nan 0.000 0.194 49 K C -0.097 176.295 176.600 -0.345 0.000 1.031 49 K CA 0.647 56.699 56.287 -0.392 0.000 1.037 49 K CB 1.187 33.149 32.500 -0.895 0.000 0.824 49 K HN 0.229 8.796 8.250 -0.034 -0.337 0.516 50 Y N -2.656 117.659 120.300 0.025 0.000 2.596 50 Y HA 0.133 nan 4.550 nan 0.000 0.326 50 Y C -0.555 175.366 175.900 0.035 0.000 1.167 50 Y CA -1.885 56.247 58.100 0.053 0.000 1.246 50 Y CB 1.701 40.193 38.460 0.053 0.000 1.347 50 Y HN -0.678 7.677 8.280 0.222 0.058 0.515 51 K N 1.330 121.863 120.400 0.222 0.000 2.604 51 K HA 0.219 nan 4.320 nan 0.000 0.247 51 K C -1.251 175.409 176.600 0.099 0.000 0.956 51 K CA -0.839 55.519 56.287 0.119 0.000 0.896 51 K CB 1.714 34.262 32.500 0.079 0.000 1.131 51 K HN 0.115 8.670 8.250 0.272 -0.142 0.440 52 M N 5.444 125.091 119.600 0.079 0.000 2.194 52 M HA -0.096 nan 4.480 nan 0.000 0.347 52 M C 0.239 176.560 176.300 0.035 0.000 1.439 52 M CA -0.155 55.178 55.300 0.055 0.000 1.131 52 M CB 0.102 32.744 32.600 0.070 0.000 1.733 52 M HN 0.308 8.647 8.290 0.081 0.000 0.467 53 A N 5.110 127.943 122.820 0.021 0.000 2.546 53 A HA -0.075 nan 4.320 nan 0.000 0.243 53 A C 0.150 177.739 177.584 0.007 0.000 1.063 53 A CA 0.075 52.119 52.037 0.012 0.000 0.757 53 A CB 0.528 19.530 19.000 0.004 0.000 0.991 53 A HN 0.668 8.708 8.150 0.016 0.120 0.503 54 N N 2.473 121.176 118.700 0.006 0.000 2.571 54 N HA -0.202 nan 4.740 nan 0.000 0.189 54 N C 0.070 175.581 175.510 0.001 0.000 1.154 54 N CA 1.823 54.875 53.050 0.003 0.000 0.907 54 N CB -0.336 38.149 38.487 -0.002 0.000 0.977 54 N HN 0.464 8.848 8.380 0.006 0.000 0.449 55 E N -4.025 116.173 120.200 -0.002 0.000 2.501 55 E HA 0.097 nan 4.350 nan 0.000 0.200 55 E C -0.157 176.431 176.600 -0.019 0.000 1.016 55 E CA -0.983 55.412 56.400 -0.009 0.000 0.921 55 E CB -0.645 29.052 29.700 -0.005 0.000 1.034 55 E HN -0.086 8.221 8.360 -0.001 0.053 0.468 56 T N 4.417 118.959 114.554 -0.020 0.000 2.902 56 T HA -0.091 nan 4.350 nan 0.000 0.301 56 T C -1.143 173.533 174.700 -0.040 0.000 1.012 56 T CA 2.388 64.468 62.100 -0.032 0.000 1.151 56 T CB 0.399 69.244 68.868 -0.039 0.000 0.946 56 T HN -0.555 7.604 8.240 -0.014 0.072 0.542 57 K N 4.168 124.545 120.400 -0.038 0.000 2.132 57 K HA 0.506 nan 4.320 nan 0.000 0.241 57 K C -0.915 175.662 176.600 -0.037 0.000 1.000 57 K CA -1.586 54.680 56.287 -0.034 0.000 0.911 57 K CB 1.824 34.305 32.500 -0.031 0.000 1.093 57 K HN 0.019 8.249 8.250 -0.034 0.000 0.460 58 E N -1.285 118.906 120.200 -0.015 0.000 2.244 58 E HA 0.416 nan 4.350 nan 0.000 0.266 58 E C -0.360 176.198 176.600 -0.069 0.000 0.914 58 E CA -2.022 54.362 56.400 -0.026 0.000 0.794 58 E CB 2.271 31.975 29.700 0.006 0.000 1.210 58 E HN 0.077 8.744 8.360 0.025 -0.292 0.414 59 Q N -0.314 119.422 119.800 -0.106 0.000 2.137 59 Q HA -0.096 nan 4.340 nan 0.000 0.198 59 Q C 0.290 175.962 176.000 -0.547 0.000 0.960 59 Q CA 1.976 57.576 55.803 -0.338 0.000 0.847 59 Q CB 0.735 29.203 28.738 -0.451 0.000 0.915 59 Q HN 0.176 8.729 8.270 -0.026 -0.299 0.448 60 F N -1.112 118.762 119.950 -0.127 0.000 2.391 60 F HA 0.094 nan 4.527 nan 0.000 0.359 60 F C -0.386 175.233 175.800 -0.302 0.000 1.122 60 F CA -1.232 56.673 58.000 -0.158 0.000 1.120 60 F CB 0.698 39.648 39.000 -0.083 0.000 1.142 60 F HN -0.416 7.974 8.300 0.150 0.000 0.483 61 K N 6.252 126.446 120.400 -0.343 0.000 2.278 61 K HA 0.020 nan 4.320 nan 0.000 0.237 61 K C -1.018 175.371 176.600 -0.351 0.000 1.229 61 K CA -0.199 55.587 56.287 -0.836 0.000 1.155 61 K CB -1.606 30.486 32.500 -0.680 0.000 1.590 61 K HN 0.449 8.547 8.250 -0.254 0.000 0.290 62 L N 0.000 121.145 121.223 -0.131 0.000 2.334 62 L HA 0.203 nan 4.340 nan 0.000 0.270 62 L C -0.918 176.037 176.870 0.143 0.000 1.018 62 L CA -1.198 53.677 54.840 0.059 0.000 0.811 62 L CB 2.524 44.648 42.059 0.108 0.000 1.271 62 L HN -0.247 7.847 8.230 -0.143 0.049 0.443 63 I N -4.225 116.424 120.570 0.131 0.000 2.957 63 I HA 0.314 nan 4.170 nan 0.000 0.310 63 I C -0.047 176.145 176.117 0.124 0.000 1.063 63 I CA -2.577 58.800 61.300 0.127 0.000 1.033 63 I CB 3.735 41.814 38.000 0.132 0.000 1.230 63 I HN -0.254 8.027 8.210 0.118 0.000 0.447 64 A N 2.409 125.287 122.820 0.097 0.000 1.927 64 A HA -0.334 nan 4.320 nan 0.000 0.220 64 A C 2.020 179.694 177.584 0.151 0.000 1.185 64 A CA 3.555 55.651 52.037 0.099 0.000 0.639 64 A CB -0.930 18.102 19.000 0.054 0.000 0.820 64 A HN 0.674 8.875 8.150 0.086 0.000 0.451 65 K N -2.423 118.045 120.400 0.114 0.000 2.026 65 K HA -0.259 nan 4.320 nan 0.000 0.208 65 K C 2.526 179.178 176.600 0.087 0.000 1.048 65 K CA 2.774 59.118 56.287 0.095 0.000 0.929 65 K CB -0.771 31.773 32.500 0.074 0.000 0.713 65 K HN 0.114 8.426 8.250 0.103 0.000 0.439 66 E N -0.545 119.708 120.200 0.088 0.000 2.106 66 E HA -0.232 nan 4.350 nan 0.000 0.192 66 E C 2.037 178.661 176.600 0.039 0.000 0.984 66 E CA 2.339 58.773 56.400 0.057 0.000 0.806 66 E CB -0.812 28.923 29.700 0.058 0.000 0.750 66 E HN -0.381 8.038 8.360 0.099 0.000 0.458 67 Y N 0.759 121.062 120.300 0.005 0.000 2.097 67 Y HA -0.509 nan 4.550 nan 0.000 0.282 67 Y C 1.267 177.164 175.900 -0.005 0.000 1.152 67 Y CA 3.784 61.879 58.100 -0.009 0.000 1.136 67 Y CB -0.164 38.287 38.460 -0.016 0.000 0.975 67 Y HN -0.193 8.222 8.280 0.224 0.000 0.498 68 A N -1.981 120.855 122.820 0.026 0.000 1.908 68 A HA -0.435 nan 4.320 nan 0.000 0.218 68 A C 1.919 179.436 177.584 -0.111 0.000 1.181 68 A CA 3.112 55.131 52.037 -0.030 0.000 0.627 68 A CB -1.028 18.035 19.000 0.105 0.000 0.818 68 A HN -0.081 8.214 8.150 0.241 0.000 0.445 69 R N -1.426 119.034 120.500 -0.067 0.000 2.081 69 R HA -0.348 nan 4.340 nan 0.000 0.235 69 R C 2.292 178.531 176.300 -0.102 0.000 1.131 69 R CA 3.266 59.331 56.100 -0.059 0.000 0.960 69 R CB -0.124 30.161 30.300 -0.026 0.000 0.856 69 R HN -0.343 7.911 8.270 -0.026 0.000 0.436 70 M N -1.100 118.409 119.600 -0.151 0.000 2.082 70 M HA -0.434 nan 4.480 nan 0.000 0.258 70 M C 2.579 178.764 176.300 -0.191 0.000 1.069 70 M CA 4.022 59.222 55.300 -0.166 0.000 1.102 70 M CB -0.134 32.340 32.600 -0.211 0.000 1.336 70 M HN 0.002 8.200 8.290 -0.153 0.000 0.404 71 E N -2.424 117.600 120.200 -0.293 0.000 2.107 71 E HA -0.216 nan 4.350 nan 0.000 0.191 71 E C 2.256 178.792 176.600 -0.107 0.000 0.982 71 E CA 2.249 58.511 56.400 -0.228 0.000 0.809 71 E CB -0.593 28.904 29.700 -0.337 0.000 0.756 71 E HN -0.480 7.628 8.360 -0.420 0.000 0.459 72 A N 0.309 123.077 122.820 -0.087 0.000 1.940 72 A HA -0.235 nan 4.320 nan 0.000 0.219 72 A C 2.409 179.982 177.584 -0.017 0.000 1.176 72 A CA 3.265 55.287 52.037 -0.025 0.000 0.631 72 A CB -0.710 18.279 19.000 -0.018 0.000 0.814 72 A HN 0.193 8.194 8.150 -0.122 0.075 0.446 73 V N -1.388 118.502 119.914 -0.039 0.000 2.343 73 V HA -0.520 nan 4.120 nan 0.000 0.247 73 V C 2.142 178.215 176.094 -0.036 0.000 1.051 73 V CA 4.656 66.937 62.300 -0.032 0.000 1.036 73 V CB -0.972 30.827 31.823 -0.040 0.000 0.654 73 V HN -0.179 7.969 8.190 -0.059 0.007 0.451 74 K N -0.916 119.452 120.400 -0.054 0.000 2.026 74 K HA -0.407 nan 4.320 nan 0.000 0.208 74 K C 2.072 178.626 176.600 -0.076 0.000 1.048 74 K CA 3.734 59.981 56.287 -0.067 0.000 0.929 74 K CB -0.503 31.950 32.500 -0.077 0.000 0.713 74 K HN -0.811 7.321 8.250 -0.067 0.078 0.439 75 D N -0.323 120.055 120.400 -0.037 0.000 2.104 75 D HA -0.296 nan 4.640 nan 0.000 0.194 75 D C 2.323 178.675 176.300 0.087 0.000 0.994 75 D CA 3.417 57.426 54.000 0.015 0.000 0.830 75 D CB -0.452 40.465 40.800 0.194 0.000 0.959 75 D HN -0.041 8.316 8.370 -0.023 0.000 0.452 76 E N -0.797 119.451 120.200 0.079 0.000 2.118 76 E HA -0.422 nan 4.350 nan 0.000 0.195 76 E C 2.646 179.268 176.600 0.037 0.000 0.992 76 E CA 2.747 59.195 56.400 0.080 0.000 0.804 76 E CB -0.662 29.065 29.700 0.044 0.000 0.741 76 E HN -0.156 8.233 8.360 0.049 0.000 0.458 77 R N -0.470 120.022 120.500 -0.014 0.000 2.070 77 R HA -0.389 nan 4.340 nan 0.000 0.232 77 R C 2.212 178.468 176.300 -0.073 0.000 1.138 77 R CA 3.385 59.462 56.100 -0.038 0.000 0.936 77 R CB -0.178 30.090 30.300 -0.053 0.000 0.839 77 R HN -0.626 7.625 8.270 -0.020 0.007 0.429 78 Q N -0.447 119.258 119.800 -0.159 0.000 2.002 78 Q HA -0.306 nan 4.340 nan 0.000 0.204 78 Q C 2.534 178.356 176.000 -0.296 0.000 0.988 78 Q CA 3.348 58.976 55.803 -0.293 0.000 0.843 78 Q CB -0.082 28.361 28.738 -0.493 0.000 0.908 78 Q HN -0.320 7.855 8.270 -0.157 0.000 0.420 79 F N -2.302 117.577 119.950 -0.120 0.000 2.269 79 F HA -0.210 nan 4.527 nan 0.000 0.301 79 F C 2.383 178.148 175.800 -0.058 0.000 1.082 79 F CA 2.858 60.778 58.000 -0.134 0.000 1.360 79 F CB -0.657 38.243 39.000 -0.166 0.000 1.041 79 F HN 0.462 8.587 8.300 -0.292 0.000 0.512 80 G N -0.646 108.218 108.800 0.106 0.000 2.414 80 G HA2 -0.399 nan 3.960 nan 0.000 0.215 80 G HA3 -0.399 nan 3.960 nan 0.000 0.215 80 G C 1.081 176.006 174.900 0.042 0.000 1.188 80 G CA 2.196 47.337 45.100 0.068 0.000 0.783 80 G HN -0.116 8.111 8.290 0.074 0.107 0.537 81 S N 3.131 118.831 115.700 -0.000 0.000 2.353 81 S HA -0.273 nan 4.470 nan 0.000 0.222 81 S C 2.042 176.633 174.600 -0.015 0.000 1.035 81 S CA 4.314 62.503 58.200 -0.020 0.000 1.025 81 S CB -0.280 62.885 63.200 -0.058 0.000 0.902 81 S HN -0.331 7.967 8.310 -0.021 0.000 0.440 82 L N -0.257 120.944 121.223 -0.036 0.000 1.989 82 L HA -0.331 nan 4.340 nan 0.000 0.211 82 L C 2.500 179.455 176.870 0.141 0.000 1.071 82 L CA 2.990 57.802 54.840 -0.048 0.000 0.749 82 L CB -1.001 41.045 42.059 -0.020 0.000 0.890 82 L HN -0.089 8.108 8.230 -0.055 0.000 0.431 83 Q N -2.677 117.236 119.800 0.188 0.000 2.123 83 Q HA -0.262 nan 4.340 nan 0.000 0.199 83 Q C 2.279 178.364 176.000 0.141 0.000 0.966 83 Q CA 2.775 58.702 55.803 0.207 0.000 0.845 83 Q CB 0.365 29.212 28.738 0.181 0.000 0.907 83 Q HN -0.315 8.054 8.270 0.165 0.000 0.439 84 V N -1.121 118.852 119.914 0.098 0.000 2.790 84 V HA -0.075 nan 4.120 nan 0.000 0.204 84 V C 1.088 177.220 176.094 0.064 0.000 1.189 84 V CA 2.443 64.786 62.300 0.072 0.000 1.268 84 V CB -0.280 31.574 31.823 0.051 0.000 0.913 84 V HN 0.117 8.360 8.190 0.089 0.000 0.502 85 A N -0.187 122.660 122.820 0.044 0.000 1.892 85 A HA -0.337 nan 4.320 nan 0.000 0.218 85 A C 2.216 179.826 177.584 0.044 0.000 1.188 85 A CA 3.256 55.314 52.037 0.035 0.000 0.631 85 A CB -0.836 18.175 19.000 0.019 0.000 0.822 85 A HN -0.032 8.139 8.150 0.036 0.000 0.447 86 L N -4.484 116.762 121.223 0.038 0.000 2.083 86 L HA -0.445 nan 4.340 nan 0.000 0.209 86 L C 2.041 178.981 176.870 0.117 0.000 1.083 86 L CA 3.259 58.124 54.840 0.043 0.000 0.752 86 L CB -0.672 41.364 42.059 -0.039 0.000 0.899 86 L HN 0.027 8.273 8.230 0.026 0.000 0.433 87 T N 0.424 115.074 114.554 0.161 0.000 2.812 87 T HA -0.268 nan 4.350 nan 0.000 0.264 87 T C 2.760 177.524 174.700 0.108 0.000 1.042 87 T CA 4.217 66.430 62.100 0.187 0.000 1.140 87 T CB -0.717 68.268 68.868 0.196 0.000 0.870 87 T HN -0.484 7.843 8.240 0.145 0.000 0.445 88 R N 2.070 122.619 120.500 0.082 0.000 2.120 88 R HA -0.242 nan 4.340 nan 0.000 0.234 88 R C 1.555 177.888 176.300 0.054 0.000 1.123 88 R CA 2.800 58.935 56.100 0.058 0.000 0.975 88 R CB -0.035 30.293 30.300 0.047 0.000 0.866 88 R HN -0.119 8.201 8.270 0.084 0.000 0.446 89 L N -3.923 117.336 121.223 0.060 0.000 2.599 89 L HA 0.054 nan 4.340 nan 0.000 0.230 89 L C -0.549 176.363 176.870 0.070 0.000 1.141 89 L CA -0.801 54.072 54.840 0.056 0.000 0.877 89 L CB -1.083 41.005 42.059 0.049 0.000 1.009 89 L HN -0.310 7.847 8.230 0.066 0.112 0.447 90 N N -2.429 116.322 118.700 0.084 0.000 2.735 90 N HA -0.390 nan 4.740 nan 0.000 0.248 90 N C 0.837 176.419 175.510 0.121 0.000 1.083 90 N CA 0.607 53.713 53.050 0.092 0.000 0.703 90 N CB -0.046 38.482 38.487 0.069 0.000 1.005 90 N HN -0.325 7.897 8.380 0.087 0.209 0.550 91 A N -2.138 120.764 122.820 0.137 0.000 2.076 91 A HA -0.166 nan 4.320 nan 0.000 0.220 91 A C 0.701 178.414 177.584 0.216 0.000 1.160 91 A CA 2.755 54.879 52.037 0.146 0.000 0.653 91 A CB -0.485 18.570 19.000 0.091 0.000 0.801 91 A HN 0.256 8.467 8.150 0.131 0.019 0.455 92 G N -3.623 105.332 108.800 0.258 0.000 2.484 92 G HA2 -0.107 nan 3.960 nan 0.000 0.218 92 G HA3 -0.107 nan 3.960 nan 0.000 0.218 92 G C 0.535 175.626 174.900 0.318 0.000 1.130 92 G CA 1.023 46.290 45.100 0.279 0.000 0.784 92 G HN 0.136 8.534 8.290 0.248 0.042 0.543 93 V N 1.044 121.087 119.914 0.216 0.000 2.672 93 V HA -0.021 nan 4.120 nan 0.000 0.242 93 V C 1.679 177.876 176.094 0.172 0.000 1.059 93 V CA 1.696 64.103 62.300 0.178 0.000 1.081 93 V CB 0.386 32.275 31.823 0.109 0.000 0.752 93 V HN -0.364 7.775 8.190 0.181 0.159 0.472 94 R N -0.436 120.159 120.500 0.159 0.000 4.902 94 R HA -0.084 nan 4.340 nan 0.000 0.201 94 R C -1.319 175.082 176.300 0.168 0.000 2.020 94 R CA 0.790 56.972 56.100 0.136 0.000 1.674 94 R CB -1.898 28.465 30.300 0.105 0.000 1.349 94 R HN -0.457 7.907 8.270 0.157 0.000 0.813 95 V N -0.972 119.063 119.914 0.202 0.000 2.823 95 V HA 0.381 nan 4.120 nan 0.000 0.312 95 V C -1.015 175.212 176.094 0.222 0.000 1.072 95 V CA -2.096 60.355 62.300 0.252 0.000 0.937 95 V CB 3.386 35.417 31.823 0.347 0.000 1.013 95 V HN 0.135 8.359 8.190 0.184 0.076 0.430 96 H N 6.737 125.917 119.070 0.183 0.000 2.928 96 H HA 0.111 nan 4.556 nan 0.000 0.338 96 H C -0.826 174.590 175.328 0.147 0.000 1.047 96 H CA -0.195 55.938 56.048 0.142 0.000 1.435 96 H CB 1.564 31.393 29.762 0.112 0.000 1.428 96 H HN 0.198 8.693 8.280 0.358 0.000 0.590 97 P HA -0.360 nan 4.420 nan 0.000 0.216 97 P C 0.977 178.373 177.300 0.160 0.000 1.157 97 P CA 3.135 66.247 63.100 0.020 0.000 0.880 97 P CB 0.279 31.927 31.700 -0.087 0.000 0.791 98 K N -3.108 117.516 120.400 0.375 0.000 2.103 98 K HA -0.303 nan 4.320 nan 0.000 0.207 98 K C 2.224 178.940 176.600 0.193 0.000 1.048 98 K CA 3.240 59.685 56.287 0.264 0.000 0.930 98 K CB -0.372 32.282 32.500 0.257 0.000 0.716 98 K HN -0.515 8.125 8.250 0.650 0.000 0.444 99 W N 0.467 121.821 121.300 0.091 0.000 2.436 99 W HA -0.284 nan 4.660 nan 0.000 0.284 99 W C 1.030 177.501 176.519 -0.082 0.000 1.225 99 W CA 2.181 59.535 57.345 0.015 0.000 1.271 99 W CB 0.447 29.948 29.460 0.069 0.000 1.114 99 W HN -0.392 7.994 8.180 0.524 0.109 0.559 100 N N 0.133 118.814 118.700 -0.032 0.000 2.104 100 N HA -0.395 nan 4.740 nan 0.000 0.190 100 N C 2.026 177.374 175.510 -0.270 0.000 1.024 100 N CA 3.992 56.923 53.050 -0.198 0.000 0.853 100 N CB -0.088 38.383 38.487 -0.028 0.000 1.008 100 N HN -0.341 8.035 8.380 0.141 0.088 0.424 101 E N -1.197 118.872 120.200 -0.219 0.000 2.072 101 E HA -0.150 nan 4.350 nan 0.000 0.190 101 E C 2.859 179.186 176.600 -0.456 0.000 0.982 101 E CA 2.298 58.534 56.400 -0.273 0.000 0.803 101 E CB -0.466 29.163 29.700 -0.118 0.000 0.755 101 E HN -0.461 7.744 8.360 -0.111 0.089 0.453 102 T N 4.101 118.349 114.554 -0.509 0.000 2.720 102 T HA -0.274 nan 4.350 nan 0.000 0.268 102 T C 1.971 176.215 174.700 -0.760 0.000 1.037 102 T CA 4.608 66.291 62.100 -0.695 0.000 1.144 102 T CB -0.437 67.937 68.868 -0.822 0.000 0.864 102 T HN 0.057 8.000 8.240 -0.392 0.061 0.444 103 M N -0.907 118.217 119.600 -0.793 0.000 2.374 103 M HA -0.195 nan 4.480 nan 0.000 0.264 103 M C 1.881 178.042 176.300 -0.233 0.000 1.067 103 M CA 0.796 55.794 55.300 -0.504 0.000 1.103 103 M CB -1.589 30.728 32.600 -0.472 0.000 1.402 103 M HN -0.011 7.741 8.290 -0.882 0.008 0.444 104 K N -0.098 120.042 120.400 -0.434 0.000 2.057 104 K HA -0.274 nan 4.320 nan 0.000 0.207 104 K C 2.294 178.832 176.600 -0.103 0.000 1.049 104 K CA 3.340 59.420 56.287 -0.345 0.000 0.931 104 K CB -0.347 31.865 32.500 -0.479 0.000 0.714 104 K HN -0.202 7.551 8.250 -0.566 0.158 0.440 105 V N 0.391 120.034 119.914 -0.451 0.000 2.346 105 V HA -0.192 nan 4.120 nan 0.000 0.244 105 V C 1.861 177.742 176.094 -0.354 0.000 1.037 105 V CA 3.959 65.880 62.300 -0.631 0.000 1.029 105 V CB -0.396 30.741 31.823 -1.144 0.000 0.663 105 V HN -0.598 7.217 8.190 -0.618 0.004 0.454 106 V N -0.298 119.451 119.914 -0.276 0.000 2.287 106 V HA -0.484 nan 4.120 nan 0.000 0.248 106 V C 1.965 178.197 176.094 0.231 0.000 1.053 106 V CA 5.051 67.329 62.300 -0.036 0.000 1.027 106 V CB -0.906 30.854 31.823 -0.105 0.000 0.646 106 V HN 0.490 8.432 8.190 -0.412 0.000 0.447 107 S N -1.787 114.057 115.700 0.240 0.000 2.377 107 S HA -0.260 nan 4.470 nan 0.000 0.223 107 S C 2.140 176.969 174.600 0.382 0.000 1.030 107 S CA 3.761 62.207 58.200 0.410 0.000 0.970 107 S CB -0.272 63.176 63.200 0.415 0.000 0.830 107 S HN -0.102 8.166 8.310 0.111 0.109 0.473 108 N N 2.200 121.104 118.700 0.340 0.000 2.171 108 N HA -0.215 nan 4.740 nan 0.000 0.184 108 N C 2.290 178.101 175.510 0.502 0.000 1.021 108 N CA 3.172 56.431 53.050 0.347 0.000 0.854 108 N CB -0.094 38.544 38.487 0.251 0.000 0.994 108 N HN -0.711 7.837 8.380 0.281 0.000 0.426 109 F N -1.075 119.037 119.950 0.270 0.000 2.146 109 F HA -0.211 nan 4.527 nan 0.000 0.298 109 F C 2.144 178.169 175.800 0.375 0.000 1.096 109 F CA 1.861 60.077 58.000 0.360 0.000 1.275 109 F CB -0.432 38.756 39.000 0.314 0.000 1.008 109 F HN 0.078 8.755 8.300 0.629 0.000 0.480 110 L N -1.154 120.396 121.223 0.546 0.000 2.141 110 L HA -0.333 nan 4.340 nan 0.000 0.209 110 L C 1.301 178.412 176.870 0.402 0.000 1.094 110 L CA 2.737 57.867 54.840 0.483 0.000 0.763 110 L CB -0.276 42.008 42.059 0.375 0.000 0.908 110 L HN -0.215 8.324 8.230 0.516 0.000 0.437 111 E N -0.136 120.286 120.200 0.369 0.000 2.085 111 E HA -0.443 nan 4.350 nan 0.000 0.194 111 E C 2.208 179.001 176.600 0.322 0.000 0.994 111 E CA 3.646 60.231 56.400 0.309 0.000 0.801 111 E CB -0.033 29.831 29.700 0.274 0.000 0.743 111 E HN -0.186 8.313 8.360 0.393 0.096 0.453 112 V N -0.833 119.295 119.914 0.356 0.000 2.626 112 V HA -0.224 nan 4.120 nan 0.000 0.252 112 V C 1.533 177.826 176.094 0.331 0.000 1.067 112 V CA 3.557 66.071 62.300 0.357 0.000 1.081 112 V CB -0.724 31.355 31.823 0.426 0.000 0.686 112 V HN -0.428 7.995 8.190 0.389 0.000 0.468 113 G N -0.911 108.112 108.800 0.371 0.000 2.404 113 G HA2 -0.296 nan 3.960 nan 0.000 0.215 113 G HA3 -0.296 nan 3.960 nan 0.000 0.215 113 G C 1.346 176.400 174.900 0.256 0.000 1.174 113 G CA 2.248 47.528 45.100 0.301 0.000 0.780 113 G HN -0.665 7.775 8.290 0.444 0.116 0.537 114 E N 2.104 122.445 120.200 0.234 0.000 2.051 114 E HA -0.355 nan 4.350 nan 0.000 0.192 114 E C 2.052 178.732 176.600 0.133 0.000 0.991 114 E CA 2.634 59.138 56.400 0.174 0.000 0.799 114 E CB -0.571 29.258 29.700 0.215 0.000 0.748 114 E HN -0.178 8.348 8.360 0.277 0.000 0.449 115 Y N 0.921 121.281 120.300 0.100 0.000 2.070 115 Y HA -0.478 nan 4.550 nan 0.000 0.280 115 Y C 1.891 177.833 175.900 0.070 0.000 1.148 115 Y CA 3.833 61.972 58.100 0.065 0.000 1.125 115 Y CB 0.073 38.580 38.460 0.079 0.000 0.975 115 Y HN 0.108 8.593 8.280 0.342 0.000 0.492 116 N N -1.567 117.206 118.700 0.122 0.000 2.289 116 N HA -0.374 nan 4.740 nan 0.000 0.184 116 N C 2.051 177.590 175.510 0.048 0.000 1.016 116 N CA 3.161 56.255 53.050 0.074 0.000 0.872 116 N CB -0.365 38.230 38.487 0.179 0.000 0.973 116 N HN 0.115 8.672 8.380 0.294 0.000 0.433 117 A N -0.292 122.560 122.820 0.054 0.000 2.019 117 A HA -0.182 nan 4.320 nan 0.000 0.219 117 A C 1.662 179.116 177.584 -0.216 0.000 1.164 117 A CA 2.706 54.640 52.037 -0.171 0.000 0.644 117 A CB -0.831 18.021 19.000 -0.247 0.000 0.805 117 A HN -0.121 8.000 8.150 0.131 0.108 0.449 118 I N -1.134 119.301 120.570 -0.226 0.000 2.179 118 I HA -0.558 nan 4.170 nan 0.000 0.242 118 I C 1.681 177.680 176.117 -0.197 0.000 1.088 118 I CA 3.748 64.909 61.300 -0.232 0.000 1.357 118 I CB -0.217 37.595 38.000 -0.313 0.000 1.051 118 I HN -0.511 7.425 8.210 -0.230 0.137 0.409 119 A N -1.673 121.010 122.820 -0.229 0.000 1.930 119 A HA -0.298 nan 4.320 nan 0.000 0.217 119 A C 1.827 179.305 177.584 -0.177 0.000 1.175 119 A CA 2.922 54.853 52.037 -0.175 0.000 0.627 119 A CB -1.018 17.888 19.000 -0.156 0.000 0.815 119 A HN -0.596 7.375 8.150 -0.298 0.000 0.443 120 A N -2.625 120.090 122.820 -0.175 0.000 1.902 120 A HA -0.332 nan 4.320 nan 0.000 0.217 120 A C 1.975 179.396 177.584 -0.272 0.000 1.181 120 A CA 3.283 55.192 52.037 -0.213 0.000 0.623 120 A CB -0.493 18.377 19.000 -0.217 0.000 0.818 120 A HN 0.162 8.141 8.150 -0.155 0.078 0.443 121 T N -4.269 110.141 114.554 -0.240 0.000 3.023 121 T HA -0.115 nan 4.350 nan 0.000 0.266 121 T C 2.233 176.892 174.700 -0.068 0.000 1.093 121 T CA 3.417 65.388 62.100 -0.216 0.000 1.129 121 T CB -0.523 68.243 68.868 -0.171 0.000 0.899 121 T HN -0.064 8.042 8.240 -0.223 0.000 0.491 122 G N 2.191 110.965 108.800 -0.043 0.000 2.402 122 G HA2 -0.277 nan 3.960 nan 0.000 0.216 122 G HA3 -0.277 nan 3.960 nan 0.000 0.216 122 G C 0.510 175.304 174.900 -0.176 0.000 1.162 122 G CA 1.802 46.917 45.100 0.025 0.000 0.777 122 G HN -0.278 7.827 8.290 -0.103 0.124 0.539 123 M N 2.455 121.874 119.600 -0.301 0.000 2.159 123 M HA -0.311 nan 4.480 nan 0.000 0.263 123 M C 1.733 177.807 176.300 -0.377 0.000 1.063 123 M CA 3.597 58.597 55.300 -0.500 0.000 1.110 123 M CB 0.075 32.294 32.600 -0.636 0.000 1.374 123 M HN -0.203 7.846 8.290 -0.277 0.074 0.411 124 L N -1.589 119.393 121.223 -0.401 0.000 2.072 124 L HA -0.346 nan 4.340 nan 0.000 0.205 124 L C 1.519 178.221 176.870 -0.280 0.000 1.079 124 L CA 2.732 57.207 54.840 -0.609 0.000 0.752 124 L CB -0.445 40.834 42.059 -1.300 0.000 0.906 124 L HN -0.163 7.736 8.230 -0.391 0.096 0.436 125 W N 0.135 121.296 121.300 -0.232 0.000 2.342 125 W HA -0.437 nan 4.660 nan 0.000 0.297 125 W C 1.027 177.568 176.519 0.037 0.000 1.213 125 W CA 1.710 59.087 57.345 0.054 0.000 1.251 125 W CB -0.662 28.814 29.460 0.027 0.000 1.136 125 W HN 0.390 8.479 8.180 0.032 0.110 0.526 126 D N -2.091 118.264 120.400 -0.076 0.000 2.178 126 D HA -0.311 nan 4.640 nan 0.000 0.202 126 D C 2.303 178.621 176.300 0.030 0.000 0.974 126 D CA 3.206 57.139 54.000 -0.110 0.000 0.841 126 D CB -0.170 40.585 40.800 -0.075 0.000 0.953 126 D HN -0.274 7.934 8.370 -0.134 0.081 0.478 127 S N 0.438 116.159 115.700 0.035 0.000 2.357 127 S HA -0.259 nan 4.470 nan 0.000 0.221 127 S C -0.254 174.407 174.600 0.103 0.000 1.031 127 S CA 2.336 60.570 58.200 0.058 0.000 0.982 127 S CB 0.297 63.500 63.200 0.006 0.000 0.853 127 S HN -0.615 7.553 8.310 -0.024 0.128 0.458 128 A N -0.296 122.638 122.820 0.189 0.000 2.540 128 A HA -0.148 nan 4.320 nan 0.000 0.239 128 A C -0.341 177.320 177.584 0.128 0.000 1.061 128 A CA 1.048 53.210 52.037 0.209 0.000 0.758 128 A CB 0.252 19.452 19.000 0.333 0.000 0.991 128 A HN -0.273 8.014 8.150 0.228 0.000 0.502 129 Q N 0.905 120.748 119.800 0.072 0.000 2.396 129 Q HA -0.021 nan 4.340 nan 0.000 0.220 129 Q C -0.270 175.745 176.000 0.025 0.000 0.900 129 Q CA 0.303 56.121 55.803 0.026 0.000 0.925 129 Q CB 0.610 29.343 28.738 -0.007 0.000 1.065 129 Q HN 0.693 9.004 8.270 0.069 0.000 0.535 130 A N -0.920 121.918 122.820 0.030 0.000 2.409 130 A HA 0.102 nan 4.320 nan 0.000 0.262 130 A C 0.039 177.635 177.584 0.020 0.000 1.113 130 A CA -0.309 51.736 52.037 0.013 0.000 0.790 130 A CB 0.827 19.822 19.000 -0.008 0.000 1.046 130 A HN -0.260 7.912 8.150 0.036 0.000 0.496 131 A N 5.829 128.658 122.820 0.015 0.000 1.917 131 A HA -0.349 nan 4.320 nan 0.000 0.219 131 A C 2.310 179.864 177.584 -0.050 0.000 1.182 131 A CA 3.352 55.395 52.037 0.011 0.000 0.633 131 A CB -0.492 18.511 19.000 0.005 0.000 0.819 131 A HN 0.886 9.069 8.150 0.017 -0.023 0.448 132 E N -1.833 118.316 120.200 -0.084 0.000 2.077 132 E HA -0.469 nan 4.350 nan 0.000 0.193 132 E C 2.170 178.729 176.600 -0.069 0.000 0.989 132 E CA 3.344 59.696 56.400 -0.080 0.000 0.800 132 E CB -0.364 29.297 29.700 -0.066 0.000 0.746 132 E HN 0.296 9.013 8.360 -0.081 -0.406 0.452 133 Q N -0.172 119.578 119.800 -0.083 0.000 2.084 133 Q HA -0.298 nan 4.340 nan 0.000 0.202 133 Q C 2.268 178.163 176.000 -0.176 0.000 0.978 133 Q CA 3.228 58.925 55.803 -0.177 0.000 0.844 133 Q CB -0.255 28.408 28.738 -0.125 0.000 0.898 133 Q HN -0.073 8.163 8.270 -0.056 0.000 0.426 134 K N -0.994 119.416 120.400 0.015 0.000 2.063 134 K HA -0.454 nan 4.320 nan 0.000 0.208 134 K C 2.520 179.073 176.600 -0.078 0.000 1.048 134 K CA 3.609 59.971 56.287 0.125 0.000 0.928 134 K CB -0.362 32.244 32.500 0.177 0.000 0.713 134 K HN -0.054 8.215 8.250 0.031 0.000 0.442 135 N N -0.848 117.784 118.700 -0.113 0.000 2.104 135 N HA -0.265 nan 4.740 nan 0.000 0.190 135 N C 2.318 177.751 175.510 -0.129 0.000 1.024 135 N CA 3.098 56.062 53.050 -0.144 0.000 0.853 135 N CB -0.295 38.153 38.487 -0.064 0.000 1.008 135 N HN 0.028 8.283 8.380 -0.075 0.079 0.424 136 G N -0.824 107.904 108.800 -0.120 0.000 2.421 136 G HA2 -0.293 nan 3.960 nan 0.000 0.216 136 G HA3 -0.293 nan 3.960 nan 0.000 0.216 136 G C 1.566 176.410 174.900 -0.093 0.000 1.171 136 G CA 2.204 47.236 45.100 -0.114 0.000 0.775 136 G HN -0.059 8.071 8.290 -0.133 0.080 0.543 137 Y N 1.649 121.906 120.300 -0.071 0.000 2.224 137 Y HA -0.246 nan 4.550 nan 0.000 0.289 137 Y C 2.216 178.013 175.900 -0.172 0.000 1.146 137 Y CA 1.681 59.729 58.100 -0.087 0.000 1.182 137 Y CB -0.501 37.961 38.460 0.004 0.000 0.983 137 Y HN -0.431 7.723 8.280 -0.210 0.000 0.524 138 L N -0.234 120.905 121.223 -0.139 0.000 2.046 138 L HA -0.427 nan 4.340 nan 0.000 0.208 138 L C 1.578 178.241 176.870 -0.344 0.000 1.077 138 L CA 2.808 57.412 54.840 -0.393 0.000 0.747 138 L CB -0.666 40.991 42.059 -0.669 0.000 0.896 138 L HN 0.154 8.211 8.230 -0.143 0.088 0.432 139 A N -2.180 120.469 122.820 -0.284 0.000 1.933 139 A HA -0.438 nan 4.320 nan 0.000 0.218 139 A C 1.981 179.418 177.584 -0.245 0.000 1.175 139 A CA 3.167 54.999 52.037 -0.342 0.000 0.628 139 A CB -0.975 17.948 19.000 -0.128 0.000 0.814 139 A HN -0.249 7.688 8.150 -0.209 0.087 0.444 140 Q N -1.190 118.498 119.800 -0.188 0.000 2.119 140 Q HA -0.301 nan 4.340 nan 0.000 0.201 140 Q C 2.177 178.004 176.000 -0.289 0.000 0.972 140 Q CA 3.234 58.842 55.803 -0.325 0.000 0.847 140 Q CB 0.105 28.566 28.738 -0.460 0.000 0.903 140 Q HN -0.567 7.533 8.270 -0.141 0.085 0.433 141 V N 1.543 121.331 119.914 -0.209 0.000 2.252 141 V HA -0.444 nan 4.120 nan 0.000 0.249 141 V C 2.436 178.431 176.094 -0.165 0.000 1.056 141 V CA 4.594 66.801 62.300 -0.154 0.000 1.022 141 V CB -0.973 30.809 31.823 -0.067 0.000 0.641 141 V HN -0.105 7.899 8.190 -0.180 0.078 0.445 142 L N -2.533 118.561 121.223 -0.215 0.000 2.093 142 L HA -0.350 nan 4.340 nan 0.000 0.208 142 L C 2.326 179.160 176.870 -0.060 0.000 1.085 142 L CA 3.107 57.850 54.840 -0.162 0.000 0.755 142 L CB -1.765 40.067 42.059 -0.378 0.000 0.904 142 L HN -0.396 7.658 8.230 -0.293 0.000 0.435 143 D N 0.092 120.442 120.400 -0.083 0.000 2.117 143 D HA -0.292 nan 4.640 nan 0.000 0.197 143 D C 2.701 178.699 176.300 -0.504 0.000 0.987 143 D CA 3.763 57.665 54.000 -0.162 0.000 0.829 143 D CB -0.511 40.298 40.800 0.015 0.000 0.961 143 D HN 0.186 8.393 8.370 -0.141 0.079 0.460 144 E N -0.798 119.200 120.200 -0.337 0.000 2.204 144 E HA -0.195 nan 4.350 nan 0.000 0.194 144 E C 2.722 179.243 176.600 -0.132 0.000 0.989 144 E CA 2.227 58.483 56.400 -0.239 0.000 0.824 144 E CB -0.423 29.166 29.700 -0.186 0.000 0.756 144 E HN 0.159 8.356 8.360 -0.272 0.000 0.477 145 I N 0.517 121.018 120.570 -0.115 0.000 2.252 145 I HA -0.461 nan 4.170 nan 0.000 0.245 145 I C 1.443 177.554 176.117 -0.010 0.000 1.102 145 I CA 3.834 65.095 61.300 -0.065 0.000 1.385 145 I CB -0.281 37.725 38.000 0.010 0.000 1.064 145 I HN -0.423 7.605 8.210 -0.128 0.105 0.414 146 R N -0.176 120.339 120.500 0.024 0.000 2.083 146 R HA -0.462 nan 4.340 nan 0.000 0.237 146 R C 2.264 178.692 176.300 0.213 0.000 1.137 146 R CA 3.946 60.127 56.100 0.136 0.000 0.951 146 R CB -0.207 30.150 30.300 0.094 0.000 0.851 146 R HN -0.067 8.093 8.270 -0.042 0.085 0.434 147 H N -2.066 117.053 119.070 0.082 0.000 2.389 147 H HA -0.208 nan 4.556 nan 0.000 0.299 147 H C 2.425 177.803 175.328 0.083 0.000 1.081 147 H CA 2.726 58.811 56.048 0.062 0.000 1.345 147 H CB -0.052 29.730 29.762 0.034 0.000 1.393 147 H HN 0.252 8.263 8.280 -0.160 0.174 0.520 148 T N 2.700 117.349 114.554 0.159 0.000 2.708 148 T HA -0.346 nan 4.350 nan 0.000 0.266 148 T C 2.066 176.842 174.700 0.127 0.000 1.037 148 T CA 5.577 67.742 62.100 0.108 0.000 1.146 148 T CB -0.589 68.283 68.868 0.007 0.000 0.865 148 T HN 0.071 8.368 8.240 0.095 0.000 0.435 149 H N 1.023 120.234 119.070 0.236 0.000 2.457 149 H HA -0.234 nan 4.556 nan 0.000 0.294 149 H C 2.517 178.021 175.328 0.293 0.000 1.064 149 H CA 3.078 59.270 56.048 0.240 0.000 1.330 149 H CB -0.146 29.739 29.762 0.205 0.000 1.395 149 H HN -0.319 7.945 8.280 -0.027 0.000 0.541 150 Q N 0.320 120.339 119.800 0.365 0.000 2.049 150 Q HA -0.283 nan 4.340 nan 0.000 0.198 150 Q C 2.384 178.603 176.000 0.365 0.000 0.971 150 Q CA 3.613 59.605 55.803 0.316 0.000 0.833 150 Q CB 0.142 29.003 28.738 0.206 0.000 0.896 150 Q HN -0.249 8.091 8.270 0.321 0.123 0.434 151 C N -0.714 118.782 119.300 0.327 0.000 2.425 151 C HA -0.280 nan 4.460 nan 0.000 0.277 151 C C 1.932 177.153 174.990 0.385 0.000 1.280 151 C CA 3.931 63.177 59.018 0.380 0.000 1.744 151 C CB -1.726 26.203 27.740 0.315 0.000 1.989 151 C HN 0.176 8.571 8.230 0.275 0.000 0.491 152 A N -0.043 122.987 122.820 0.350 0.000 1.902 152 A HA -0.302 nan 4.320 nan 0.000 0.217 152 A C 1.304 179.108 177.584 0.365 0.000 1.181 152 A CA 3.202 55.438 52.037 0.332 0.000 0.623 152 A CB -1.022 18.168 19.000 0.316 0.000 0.818 152 A HN 0.194 8.541 8.150 0.329 0.000 0.443 153 Y N -0.955 119.509 120.300 0.274 0.000 2.224 153 Y HA -0.467 nan 4.550 nan 0.000 0.289 153 Y C 2.127 178.222 175.900 0.324 0.000 1.146 153 Y CA 4.347 62.599 58.100 0.253 0.000 1.182 153 Y CB 0.244 38.863 38.460 0.266 0.000 0.983 153 Y HN -0.227 8.168 8.280 0.504 0.188 0.524 154 V N -0.628 119.566 119.914 0.467 0.000 2.295 154 V HA -0.625 nan 4.120 nan 0.000 0.246 154 V C 1.729 178.059 176.094 0.394 0.000 1.049 154 V CA 4.906 67.444 62.300 0.396 0.000 1.024 154 V CB -0.973 31.111 31.823 0.435 0.000 0.648 154 V HN -0.072 8.333 8.190 0.489 0.079 0.447 155 N N -0.274 118.668 118.700 0.404 0.000 2.188 155 N HA -0.348 nan 4.740 nan 0.000 0.184 155 N C 1.903 177.565 175.510 0.254 0.000 1.018 155 N CA 3.585 56.870 53.050 0.391 0.000 0.858 155 N CB 0.099 38.825 38.487 0.398 0.000 0.989 155 N HN -0.502 8.121 8.380 0.406 0.000 0.426 156 Y N 1.919 122.259 120.300 0.065 0.000 2.181 156 Y HA -0.479 nan 4.550 nan 0.000 0.288 156 Y C 1.430 177.236 175.900 -0.156 0.000 1.146 156 Y CA 3.930 61.984 58.100 -0.076 0.000 1.164 156 Y CB 0.164 38.506 38.460 -0.197 0.000 0.982 156 Y HN 0.204 8.613 8.280 0.353 0.083 0.515 157 Y N 0.144 120.440 120.300 -0.007 0.000 2.200 157 Y HA -0.491 nan 4.550 nan 0.000 0.290 157 Y C 1.654 177.423 175.900 -0.218 0.000 1.137 157 Y CA 4.197 62.220 58.100 -0.127 0.000 1.163 157 Y CB 0.132 38.508 38.460 -0.139 0.000 0.988 157 Y HN 0.286 8.597 8.280 0.229 0.107 0.518 158 F N -1.793 118.142 119.950 -0.024 0.000 2.234 158 F HA -0.393 nan 4.527 nan 0.000 0.299 158 F C 2.186 177.801 175.800 -0.309 0.000 1.087 158 F CA 3.507 61.346 58.000 -0.268 0.000 1.340 158 F CB -0.636 37.909 39.000 -0.758 0.000 1.031 158 F HN -0.109 8.231 8.300 0.068 0.000 0.500 159 A N -0.752 122.014 122.820 -0.091 0.000 1.873 159 A HA -0.254 nan 4.320 nan 0.000 0.215 159 A C 1.287 178.791 177.584 -0.134 0.000 1.186 159 A CA 2.676 54.684 52.037 -0.050 0.000 0.616 159 A CB -0.654 18.320 19.000 -0.044 0.000 0.823 159 A HN 0.044 8.056 8.150 -0.075 0.093 0.442 160 K N -1.643 118.602 120.400 -0.259 0.000 2.057 160 K HA -0.255 nan 4.320 nan 0.000 0.206 160 K C 1.689 178.141 176.600 -0.248 0.000 1.050 160 K CA 2.302 58.412 56.287 -0.295 0.000 0.935 160 K CB 0.563 32.827 32.500 -0.394 0.000 0.715 160 K HN -0.081 7.992 8.250 -0.294 0.000 0.439 161 N N -5.075 113.438 118.700 -0.312 0.000 2.197 161 N HA 0.105 nan 4.740 nan 0.000 0.201 161 N C -0.343 175.130 175.510 -0.061 0.000 1.148 161 N CA -0.114 52.790 53.050 -0.243 0.000 0.883 161 N CB 1.963 40.165 38.487 -0.475 0.000 1.012 161 N HN -0.139 8.010 8.380 -0.384 0.000 0.507 162 G N 0.094 108.910 108.800 0.027 0.000 2.543 162 G HA2 0.153 nan 3.960 nan 0.000 0.290 162 G HA3 0.153 nan 3.960 nan 0.000 0.290 162 G C -0.695 174.276 174.900 0.118 0.000 1.310 162 G CA -0.668 44.532 45.100 0.167 0.000 1.025 162 G HN -0.330 7.858 8.290 -0.015 0.093 0.502 163 Q N -2.286 117.597 119.800 0.138 0.000 2.311 163 Q HA -0.202 nan 4.340 nan 0.000 0.203 163 Q C -0.099 175.951 176.000 0.084 0.000 0.954 163 Q CA 1.493 57.352 55.803 0.094 0.000 0.885 163 Q CB 0.413 29.201 28.738 0.085 0.000 0.963 163 Q HN 0.396 8.775 8.270 0.181 0.000 0.471 164 D N -1.400 119.069 120.400 0.115 0.000 2.337 164 D HA 0.410 nan 4.640 nan 0.000 0.238 164 D C -2.138 174.268 176.300 0.175 0.000 1.331 164 D CA -2.531 51.533 54.000 0.107 0.000 0.967 164 D CB 0.745 41.588 40.800 0.072 0.000 1.382 164 D HN -0.540 7.922 8.370 0.154 0.000 0.549 165 P HA -0.052 nan 4.420 nan 0.000 0.221 165 P C -1.183 176.210 177.300 0.155 0.000 1.150 165 P CA 0.525 63.717 63.100 0.154 0.000 0.800 165 P CB 0.373 32.109 31.700 0.059 0.000 0.787 166 A N -3.671 119.209 122.820 0.101 0.000 2.546 166 A HA -0.209 nan 4.320 nan 0.000 0.243 166 A C 0.551 178.196 177.584 0.102 0.000 1.063 166 A CA 1.324 53.410 52.037 0.083 0.000 0.757 166 A CB -0.210 18.823 19.000 0.055 0.000 0.991 166 A HN -0.718 7.640 8.150 0.083 -0.158 0.503 167 G N 4.007 112.883 108.800 0.128 0.000 2.812 167 G HA2 -0.503 nan 3.960 nan 0.000 0.219 167 G HA3 -0.503 nan 3.960 nan 0.000 0.219 167 G C 0.899 175.918 174.900 0.199 0.000 1.275 167 G CA 1.452 46.684 45.100 0.221 0.000 0.769 167 G HN 0.035 8.505 8.290 0.102 -0.119 0.527 168 H N 3.705 122.870 119.070 0.159 0.000 2.387 168 H HA -0.181 nan 4.556 nan 0.000 0.299 168 H C 1.502 176.891 175.328 0.101 0.000 1.090 168 H CA 3.281 59.416 56.048 0.146 0.000 1.332 168 H CB 0.074 29.921 29.762 0.142 0.000 1.386 168 H HN -0.349 7.941 8.280 0.147 0.079 0.516 169 N N -1.868 116.947 118.700 0.191 0.000 2.463 169 N HA -0.111 nan 4.740 nan 0.000 0.181 169 N C -0.343 175.189 175.510 0.036 0.000 1.078 169 N CA 1.265 54.364 53.050 0.082 0.000 0.902 169 N CB 0.603 39.111 38.487 0.035 0.000 0.970 169 N HN 0.061 8.548 8.380 0.201 0.014 0.451 170 D N -5.452 114.963 120.400 0.025 0.000 2.672 170 D HA 0.094 nan 4.640 nan 0.000 0.287 170 D C -0.043 176.180 176.300 -0.129 0.000 1.559 170 D CA -0.592 53.383 54.000 -0.041 0.000 0.796 170 D CB -1.144 39.633 40.800 -0.039 0.000 1.181 170 D HN -0.801 7.435 8.370 0.060 0.170 0.458 171 A N 0.992 123.716 122.820 -0.160 0.000 1.986 171 A HA -0.403 nan 4.320 nan 0.000 0.220 171 A C 1.612 178.886 177.584 -0.517 0.000 1.171 171 A CA 3.146 54.895 52.037 -0.480 0.000 0.640 171 A CB -0.586 18.188 19.000 -0.378 0.000 0.811 171 A HN -0.310 7.813 8.150 -0.044 0.000 0.451 172 R N -2.792 117.527 120.500 -0.301 0.000 2.200 172 R HA -0.278 nan 4.340 nan 0.000 0.234 172 R C 1.856 177.976 176.300 -0.300 0.000 1.127 172 R CA 2.757 58.680 56.100 -0.296 0.000 0.989 172 R CB -0.317 29.888 30.300 -0.159 0.000 0.869 172 R HN 0.336 8.472 8.270 -0.186 0.023 0.459 173 R N -3.694 116.651 120.500 -0.258 0.000 2.310 173 R HA 0.174 nan 4.340 nan 0.000 0.199 173 R C 1.655 177.839 176.300 -0.194 0.000 0.891 173 R CA 2.016 58.007 56.100 -0.182 0.000 1.060 173 R CB 0.821 31.064 30.300 -0.095 0.000 1.188 173 R HN -0.149 7.829 8.270 -0.244 0.145 0.607 174 T N -1.522 112.881 114.554 -0.251 0.000 3.023 174 T HA 0.121 nan 4.350 nan 0.000 0.266 174 T C 2.125 176.641 174.700 -0.307 0.000 1.093 174 T CA 3.068 65.051 62.100 -0.195 0.000 1.129 174 T CB -0.567 68.255 68.868 -0.077 0.000 0.899 174 T HN 0.442 8.516 8.240 -0.276 0.000 0.491 175 R N 0.933 121.011 120.500 -0.703 0.000 2.152 175 R HA -0.193 nan 4.340 nan 0.000 0.232 175 R C 1.667 177.757 176.300 -0.349 0.000 1.117 175 R CA 2.912 58.580 56.100 -0.720 0.000 0.981 175 R CB -0.943 28.615 30.300 -1.238 0.000 0.870 175 R HN 0.128 7.798 8.270 -0.788 0.126 0.451 176 T N -3.639 110.728 114.554 -0.311 0.000 3.051 176 T HA -0.141 nan 4.350 nan 0.000 0.269 176 T C 0.799 175.568 174.700 0.114 0.000 1.127 176 T CA 2.244 64.338 62.100 -0.010 0.000 1.107 176 T CB -0.880 67.991 68.868 0.006 0.000 0.898 176 T HN -0.584 7.407 8.240 -0.368 0.029 0.517 177 I N -0.797 119.821 120.570 0.080 0.000 2.353 177 I HA -0.103 nan 4.170 nan 0.000 0.248 177 I C 0.703 176.921 176.117 0.170 0.000 1.119 177 I CA 1.770 63.134 61.300 0.107 0.000 1.417 177 I CB 0.266 38.281 38.000 0.025 0.000 1.078 177 I HN -0.656 7.519 8.210 0.025 0.049 0.421 178 G N -2.552 106.372 108.800 0.208 0.000 2.462 178 G HA2 0.380 nan 3.960 nan 0.000 0.319 178 G HA3 0.380 nan 3.960 nan 0.000 0.319 178 G C -2.032 172.988 174.900 0.200 0.000 1.171 178 G CA -2.123 43.100 45.100 0.205 0.000 0.920 178 G HN -0.753 7.685 8.290 0.247 0.000 0.499 179 P HA 0.005 nan 4.420 nan 0.000 0.224 179 P C 1.052 178.445 177.300 0.155 0.000 1.157 179 P CA 1.518 64.643 63.100 0.042 0.000 0.799 179 P CB 0.336 31.999 31.700 -0.062 0.000 0.809 180 L N -3.186 118.211 121.223 0.290 0.000 2.131 180 L HA -0.242 nan 4.340 nan 0.000 0.210 180 L C 2.070 179.217 176.870 0.463 0.000 1.092 180 L CA 2.231 57.315 54.840 0.408 0.000 0.759 180 L CB -0.595 41.749 42.059 0.476 0.000 0.903 180 L HN -0.265 8.151 8.230 0.309 0.000 0.435 181 W N -1.641 119.794 121.300 0.225 0.000 2.363 181 W HA -0.426 nan 4.660 nan 0.000 0.296 181 W C 0.818 177.189 176.519 -0.245 0.000 1.212 181 W CA 2.603 59.861 57.345 -0.145 0.000 1.260 181 W CB 0.095 29.544 29.460 -0.018 0.000 1.131 181 W HN -0.483 8.054 8.180 0.630 0.021 0.530 182 K N -2.394 117.845 120.400 -0.268 0.000 2.032 182 K HA -0.349 nan 4.320 nan 0.000 0.209 182 K C 2.524 178.852 176.600 -0.453 0.000 1.048 182 K CA 3.115 59.158 56.287 -0.407 0.000 0.927 182 K CB -0.758 31.627 32.500 -0.191 0.000 0.712 182 K HN -0.792 7.445 8.250 0.004 0.015 0.441 183 G N -2.134 106.494 108.800 -0.287 0.000 2.422 183 G HA2 -0.269 nan 3.960 nan 0.000 0.218 183 G HA3 -0.269 nan 3.960 nan 0.000 0.218 183 G C 1.151 175.374 174.900 -1.128 0.000 1.146 183 G CA 1.759 46.635 45.100 -0.374 0.000 0.769 183 G HN -0.645 7.589 8.290 -0.092 0.000 0.547 184 M N 1.780 120.612 119.600 -1.281 0.000 2.117 184 M HA -0.283 nan 4.480 nan 0.000 0.262 184 M C 1.534 177.201 176.300 -1.054 0.000 1.065 184 M CA 2.128 56.593 55.300 -1.391 0.000 1.114 184 M CB -0.284 31.679 32.600 -1.062 0.000 1.361 184 M HN -0.559 7.169 8.290 -0.789 0.089 0.408 185 K N -1.836 117.898 120.400 -1.110 0.000 2.209 185 K HA -0.386 nan 4.320 nan 0.000 0.204 185 K C 2.270 178.532 176.600 -0.564 0.000 1.048 185 K CA 3.473 59.240 56.287 -0.866 0.000 0.940 185 K CB -0.585 31.361 32.500 -0.924 0.000 0.729 185 K HN -0.188 7.303 8.250 -1.265 0.000 0.451 186 R N -0.489 119.693 120.500 -0.531 0.000 2.066 186 R HA -0.156 nan 4.340 nan 0.000 0.232 186 R C 2.409 178.512 176.300 -0.329 0.000 1.131 186 R CA 3.099 59.001 56.100 -0.331 0.000 0.955 186 R CB -0.066 30.099 30.300 -0.225 0.000 0.851 186 R HN -0.585 7.176 8.270 -0.629 0.132 0.432 187 V N -4.750 114.876 119.914 -0.480 0.000 2.488 187 V HA -0.091 nan 4.120 nan 0.000 0.246 187 V C 1.691 177.617 176.094 -0.280 0.000 1.046 187 V CA 3.509 65.606 62.300 -0.339 0.000 1.053 187 V CB -0.478 31.035 31.823 -0.517 0.000 0.679 187 V HN -0.471 7.304 8.190 -0.691 0.000 0.458 188 F N -3.717 115.742 119.950 -0.819 0.000 2.678 188 F HA 0.431 nan 4.527 nan 0.000 0.305 188 F C -0.245 174.961 175.800 -0.990 0.000 1.090 188 F CA -1.525 55.770 58.000 -1.174 0.000 1.272 188 F CB 0.405 39.130 39.000 -0.459 0.000 1.060 188 F HN 0.151 8.159 8.300 -0.486 0.000 0.576 189 S N -0.448 114.943 115.700 -0.515 0.000 3.414 189 S HA 0.146 nan 4.470 nan 0.000 0.193 189 S C 1.244 175.734 174.600 -0.183 0.000 0.825 189 S CA 1.574 59.614 58.200 -0.266 0.000 0.837 189 S CB 1.414 64.480 63.200 -0.224 0.000 0.940 189 S HN -0.504 7.428 8.310 -0.494 0.082 0.639 190 D N 2.022 122.311 120.400 -0.184 0.000 2.144 190 D HA -0.146 nan 4.640 nan 0.000 0.200 190 D C 2.393 178.663 176.300 -0.050 0.000 0.978 190 D CA 3.401 57.340 54.000 -0.101 0.000 0.833 190 D CB 0.032 40.768 40.800 -0.107 0.000 0.961 190 D HN 0.166 8.390 8.370 -0.244 0.000 0.470 191 G N -1.207 107.544 108.800 -0.081 0.000 2.448 191 G HA2 -0.208 nan 3.960 nan 0.000 0.219 191 G HA3 -0.208 nan 3.960 nan 0.000 0.219 191 G C 0.619 175.640 174.900 0.201 0.000 1.127 191 G CA 1.563 46.688 45.100 0.041 0.000 0.766 191 G HN 0.087 8.272 8.290 -0.175 0.000 0.552 192 F N -2.193 117.750 119.950 -0.011 0.000 2.512 192 F HA -0.069 nan 4.527 nan 0.000 0.296 192 F C 0.437 176.183 175.800 -0.090 0.000 1.110 192 F CA -0.351 57.616 58.000 -0.054 0.000 1.446 192 F CB 0.751 39.695 39.000 -0.093 0.000 1.092 192 F HN -0.761 7.397 8.300 -0.024 0.127 0.554 193 I N -9.516 111.114 120.570 0.100 0.000 4.439 193 I HA 0.171 nan 4.170 nan 0.000 0.331 193 I C -0.298 175.796 176.117 -0.038 0.000 1.345 193 I CA -0.472 60.821 61.300 -0.012 0.000 1.193 193 I CB 2.491 40.475 38.000 -0.025 0.000 1.221 193 I HN -0.835 7.313 8.210 0.089 0.114 0.429 194 S N 3.265 118.957 115.700 -0.013 0.000 2.474 194 S HA 0.189 nan 4.470 nan 0.000 0.320 194 S C -0.907 173.684 174.600 -0.013 0.000 1.067 194 S CA -0.061 58.126 58.200 -0.023 0.000 1.127 194 S CB 0.162 63.337 63.200 -0.042 0.000 0.971 194 S HN -0.043 8.272 8.310 0.007 0.000 0.472 195 G N 3.399 112.194 108.800 -0.008 0.000 2.350 195 G HA2 -0.189 nan 3.960 nan 0.000 0.282 195 G HA3 -0.189 nan 3.960 nan 0.000 0.282 195 G C -2.461 172.450 174.900 0.019 0.000 1.314 195 G CA -0.419 44.686 45.100 0.008 0.000 0.915 195 G HN -0.377 7.906 8.290 -0.011 0.000 0.499 196 D N 1.059 121.483 120.400 0.040 0.000 2.488 196 D HA -0.093 nan 4.640 nan 0.000 0.238 196 D C 1.167 177.489 176.300 0.037 0.000 1.138 196 D CA 0.403 54.442 54.000 0.065 0.000 0.873 196 D CB 1.062 41.935 40.800 0.123 0.000 1.183 196 D HN 0.042 8.438 8.370 0.044 0.000 0.458 197 A N 6.238 129.062 122.820 0.007 0.000 1.948 197 A HA -0.318 nan 4.320 nan 0.000 0.220 197 A C 2.060 179.601 177.584 -0.072 0.000 1.177 197 A CA 3.132 55.121 52.037 -0.079 0.000 0.636 197 A CB -0.132 18.804 19.000 -0.107 0.000 0.815 197 A HN 0.578 8.752 8.150 0.040 0.000 0.449 198 V N -1.444 118.446 119.914 -0.041 0.000 2.358 198 V HA -0.453 nan 4.120 nan 0.000 0.246 198 V C 1.709 177.778 176.094 -0.042 0.000 1.047 198 V CA 4.614 66.832 62.300 -0.135 0.000 1.035 198 V CB -0.774 30.753 31.823 -0.492 0.000 0.658 198 V HN -0.042 8.433 8.190 0.031 -0.267 0.452 199 E N -0.090 120.139 120.200 0.048 0.000 2.077 199 E HA -0.356 nan 4.350 nan 0.000 0.193 199 E C 1.937 178.592 176.600 0.091 0.000 0.989 199 E CA 3.322 59.783 56.400 0.101 0.000 0.800 199 E CB -0.171 29.606 29.700 0.128 0.000 0.746 199 E HN -0.604 7.714 8.360 0.079 0.089 0.452 200 C N -0.570 118.758 119.300 0.046 0.000 2.429 200 C HA -0.233 nan 4.460 nan 0.000 0.277 200 C C 2.366 177.359 174.990 0.005 0.000 1.262 200 C CA 4.181 63.222 59.018 0.040 0.000 1.733 200 C CB -1.981 25.741 27.740 -0.030 0.000 2.010 200 C HN 0.102 8.346 8.230 0.023 0.000 0.483 201 S N 0.007 115.684 115.700 -0.040 0.000 2.382 201 S HA -0.236 nan 4.470 nan 0.000 0.228 201 S C 1.756 176.381 174.600 0.042 0.000 1.027 201 S CA 3.551 61.724 58.200 -0.045 0.000 0.991 201 S CB -0.462 62.710 63.200 -0.047 0.000 0.823 201 S HN -0.105 8.090 8.310 -0.053 0.083 0.469 202 L N 1.253 122.530 121.223 0.090 0.000 2.056 202 L HA -0.421 nan 4.340 nan 0.000 0.207 202 L C 1.890 178.893 176.870 0.221 0.000 1.078 202 L CA 3.124 58.071 54.840 0.178 0.000 0.749 202 L CB -0.581 41.594 42.059 0.192 0.000 0.901 202 L HN 0.093 8.261 8.230 0.064 0.100 0.433 203 N N -0.668 118.163 118.700 0.218 0.000 2.084 203 N HA -0.269 nan 4.740 nan 0.000 0.190 203 N C 2.663 178.370 175.510 0.328 0.000 1.030 203 N CA 3.376 56.612 53.050 0.311 0.000 0.849 203 N CB 0.090 38.787 38.487 0.349 0.000 1.012 203 N HN -0.184 8.306 8.380 0.182 0.000 0.423 204 L N -0.007 121.255 121.223 0.065 0.000 1.982 204 L HA -0.201 nan 4.340 nan 0.000 0.206 204 L C 1.428 178.177 176.870 -0.201 0.000 1.078 204 L CA 3.559 58.142 54.840 -0.429 0.000 0.749 204 L CB -0.037 41.579 42.059 -0.739 0.000 0.894 204 L HN 0.322 8.586 8.230 0.056 0.000 0.436 205 Q N -1.982 117.770 119.800 -0.079 0.000 2.013 205 Q HA -0.173 nan 4.340 nan 0.000 0.195 205 Q C 2.853 178.941 176.000 0.146 0.000 0.974 205 Q CA 3.159 58.980 55.803 0.030 0.000 0.826 205 Q CB 0.148 28.935 28.738 0.082 0.000 0.895 205 Q HN -0.042 8.085 8.270 -0.071 0.100 0.448 206 L N -1.749 119.632 121.223 0.263 0.000 2.083 206 L HA -0.234 nan 4.340 nan 0.000 0.209 206 L C 2.166 179.357 176.870 0.535 0.000 1.083 206 L CA 3.179 58.309 54.840 0.483 0.000 0.752 206 L CB -1.019 41.324 42.059 0.472 0.000 0.899 206 L HN -0.407 7.951 8.230 0.214 0.000 0.433 207 V N -3.287 116.825 119.914 0.330 0.000 2.735 207 V HA 0.064 nan 4.120 nan 0.000 0.234 207 V C 2.220 178.356 176.094 0.070 0.000 1.121 207 V CA 3.407 65.788 62.300 0.135 0.000 1.160 207 V CB 0.025 31.985 31.823 0.228 0.000 0.908 207 V HN 0.473 8.834 8.190 0.284 0.000 0.495 208 G N 0.286 109.242 108.800 0.259 0.000 2.586 208 G HA2 -0.400 nan 3.960 nan 0.000 0.218 208 G HA3 -0.400 nan 3.960 nan 0.000 0.218 208 G C 1.069 176.085 174.900 0.193 0.000 1.216 208 G CA 2.749 48.090 45.100 0.401 0.000 0.786 208 G HN -0.004 8.355 8.290 0.284 0.102 0.583 209 E N 2.074 122.291 120.200 0.027 0.000 2.046 209 E HA -0.259 nan 4.350 nan 0.000 0.190 209 E C 2.603 179.087 176.600 -0.194 0.000 0.982 209 E CA 2.800 59.161 56.400 -0.064 0.000 0.800 209 E CB 0.041 29.701 29.700 -0.066 0.000 0.756 209 E HN 0.128 8.393 8.360 0.013 0.102 0.449 210 A N -1.084 121.565 122.820 -0.285 0.000 1.930 210 A HA -0.187 nan 4.320 nan 0.000 0.217 210 A C 1.520 178.806 177.584 -0.495 0.000 1.175 210 A CA 2.825 54.515 52.037 -0.578 0.000 0.627 210 A CB -0.383 17.963 19.000 -1.090 0.000 0.815 210 A HN -0.115 7.928 8.150 -0.177 0.000 0.443 211 C N -3.754 115.194 119.300 -0.588 0.000 2.524 211 C HA 0.120 nan 4.460 nan 0.000 0.284 211 C C 0.624 175.097 174.990 -0.861 0.000 1.346 211 C CA 1.228 59.689 59.018 -0.928 0.000 1.739 211 C CB 0.282 26.988 27.740 -1.722 0.000 2.119 211 C HN -0.056 7.781 8.230 -0.473 0.109 0.501 212 F N -3.036 116.741 119.950 -0.288 0.000 2.482 212 F HA 0.104 nan 4.527 nan 0.000 0.278 212 F C 1.725 177.351 175.800 -0.291 0.000 0.969 212 F CA 2.123 59.970 58.000 -0.255 0.000 1.223 212 F CB 0.590 39.372 39.000 -0.364 0.000 1.140 212 F HN -0.672 7.500 8.300 -0.214 0.000 0.672 213 T N 2.745 117.306 114.554 0.012 0.000 2.635 213 T HA -0.475 nan 4.350 nan 0.000 0.267 213 T C 1.834 176.469 174.700 -0.108 0.000 1.040 213 T CA 5.351 67.455 62.100 0.005 0.000 1.156 213 T CB -0.615 68.311 68.868 0.097 0.000 0.863 213 T HN 0.375 8.684 8.240 0.115 0.000 0.430 214 N N 0.608 119.202 118.700 -0.178 0.000 2.036 214 N HA -0.148 nan 4.740 nan 0.000 0.195 214 N C -0.365 174.982 175.510 -0.272 0.000 1.037 214 N CA 4.428 57.350 53.050 -0.213 0.000 0.855 214 N CB -1.467 36.877 38.487 -0.240 0.000 1.033 214 N HN -0.234 8.041 8.380 -0.175 0.000 0.423 215 P HA -0.092 nan 4.420 nan 0.000 0.220 215 P C 1.228 178.176 177.300 -0.586 0.000 1.152 215 P CA 1.994 64.658 63.100 -0.727 0.000 0.812 215 P CB -0.153 30.646 31.700 -1.501 0.000 0.792 216 L N -0.476 120.481 121.223 -0.444 0.000 2.017 216 L HA -0.295 nan 4.340 nan 0.000 0.208 216 L C 1.649 178.711 176.870 0.320 0.000 1.073 216 L CA 3.350 58.286 54.840 0.159 0.000 0.745 216 L CB -0.190 41.999 42.059 0.217 0.000 0.894 216 L HN 0.029 7.880 8.230 -0.479 0.092 0.432 217 I N -1.899 118.773 120.570 0.170 0.000 2.194 217 I HA -0.527 nan 4.170 nan 0.000 0.246 217 I C 2.409 178.714 176.117 0.314 0.000 1.093 217 I CA 3.468 64.917 61.300 0.250 0.000 1.355 217 I CB -1.700 36.313 38.000 0.022 0.000 1.046 217 I HN 0.378 8.612 8.210 0.039 0.000 0.413 218 V N -0.862 119.161 119.914 0.181 0.000 2.358 218 V HA -0.410 nan 4.120 nan 0.000 0.246 218 V C 1.828 178.082 176.094 0.266 0.000 1.047 218 V CA 4.474 66.878 62.300 0.173 0.000 1.035 218 V CB -1.194 30.676 31.823 0.079 0.000 0.658 218 V HN -0.683 7.552 8.190 0.082 0.004 0.452 219 A N -0.897 122.148 122.820 0.375 0.000 1.908 219 A HA -0.327 nan 4.320 nan 0.000 0.218 219 A C 1.875 179.775 177.584 0.527 0.000 1.181 219 A CA 3.437 55.771 52.037 0.494 0.000 0.627 219 A CB -0.862 18.624 19.000 0.810 0.000 0.818 219 A HN -0.241 8.044 8.150 0.337 0.067 0.445 220 V N -2.717 117.585 119.914 0.645 0.000 2.332 220 V HA -0.509 nan 4.120 nan 0.000 0.248 220 V C 1.769 178.139 176.094 0.461 0.000 1.055 220 V CA 4.954 67.670 62.300 0.693 0.000 1.038 220 V CB -1.280 30.944 31.823 0.667 0.000 0.651 220 V HN 0.658 9.237 8.190 0.648 0.000 0.450 221 T N -4.259 110.491 114.554 0.328 0.000 2.881 221 T HA -0.282 nan 4.350 nan 0.000 0.270 221 T C 2.121 176.871 174.700 0.083 0.000 1.068 221 T CA 4.055 66.265 62.100 0.183 0.000 1.131 221 T CB -0.789 68.173 68.868 0.157 0.000 0.871 221 T HN -0.260 8.103 8.240 0.362 0.094 0.479 222 E N 2.099 122.347 120.200 0.080 0.000 2.046 222 E HA -0.198 nan 4.350 nan 0.000 0.190 222 E C 1.959 178.425 176.600 -0.225 0.000 0.982 222 E CA 2.823 59.172 56.400 -0.086 0.000 0.800 222 E CB -0.667 28.962 29.700 -0.118 0.000 0.756 222 E HN -0.569 7.774 8.360 0.172 0.119 0.449 223 W N -0.376 120.750 121.300 -0.290 0.000 2.381 223 W HA -0.266 nan 4.660 nan 0.000 0.301 223 W C 2.102 178.055 176.519 -0.944 0.000 1.205 223 W CA 3.807 60.820 57.345 -0.553 0.000 1.285 223 W CB -0.492 28.678 29.460 -0.484 0.000 1.133 223 W HN -0.008 8.313 8.180 0.235 0.000 0.521 224 A N -1.583 120.950 122.820 -0.479 0.000 1.877 224 A HA -0.372 nan 4.320 nan 0.000 0.216 224 A C 1.857 179.233 177.584 -0.348 0.000 1.186 224 A CA 2.998 54.716 52.037 -0.533 0.000 0.620 224 A CB -1.247 17.870 19.000 0.195 0.000 0.822 224 A HN 0.504 8.521 8.150 -0.048 0.104 0.443 225 A N -2.172 120.529 122.820 -0.199 0.000 1.933 225 A HA -0.259 nan 4.320 nan 0.000 0.218 225 A C 2.325 179.783 177.584 -0.210 0.000 1.175 225 A CA 2.696 54.642 52.037 -0.152 0.000 0.628 225 A CB -0.731 18.197 19.000 -0.119 0.000 0.814 225 A HN -0.095 7.860 8.150 -0.148 0.107 0.444 226 A N -1.220 121.424 122.820 -0.294 0.000 1.972 226 A HA -0.199 nan 4.320 nan 0.000 0.219 226 A C 1.291 178.766 177.584 -0.182 0.000 1.169 226 A CA 2.576 54.431 52.037 -0.302 0.000 0.635 226 A CB -0.137 18.637 19.000 -0.376 0.000 0.810 226 A HN 0.039 7.988 8.150 -0.335 0.000 0.446 227 N N -2.919 115.635 118.700 -0.244 0.000 2.313 227 N HA 0.132 nan 4.740 nan 0.000 0.207 227 N C -0.711 174.815 175.510 0.026 0.000 1.141 227 N CA -0.234 52.766 53.050 -0.084 0.000 0.830 227 N CB -0.040 38.282 38.487 -0.275 0.000 1.008 227 N HN -0.410 7.599 8.380 -0.444 0.105 0.481 228 G N -1.987 106.811 108.800 -0.004 0.000 2.179 228 G HA2 -0.530 nan 3.960 nan 0.000 0.260 228 G HA3 -0.530 nan 3.960 nan 0.000 0.260 228 G C -1.195 173.774 174.900 0.116 0.000 0.977 228 G CA 0.377 45.516 45.100 0.065 0.000 0.641 228 G HN -0.382 7.684 8.290 -0.078 0.178 0.533 229 D N 1.643 122.112 120.400 0.115 0.000 2.339 229 D HA 0.080 nan 4.640 nan 0.000 0.241 229 D C -0.413 175.980 176.300 0.154 0.000 1.183 229 D CA -0.616 53.542 54.000 0.264 0.000 0.859 229 D CB 0.359 41.441 40.800 0.469 0.000 1.067 229 D HN -0.193 8.107 8.370 -0.012 0.063 0.484 230 E N 3.715 123.989 120.200 0.123 0.000 2.489 230 E HA 0.163 nan 4.350 nan 0.000 0.204 230 E C 0.691 177.290 176.600 -0.002 0.000 1.006 230 E CA -0.186 56.239 56.400 0.043 0.000 0.936 230 E CB 0.681 30.392 29.700 0.018 0.000 1.002 230 E HN 0.254 8.705 8.360 0.152 0.000 0.488 231 I N 0.598 121.165 120.570 -0.004 0.000 2.193 231 I HA -0.278 nan 4.170 nan 0.000 0.240 231 I C 1.909 177.996 176.117 -0.050 0.000 1.084 231 I CA 2.881 64.081 61.300 -0.166 0.000 1.365 231 I CB -1.372 36.372 38.000 -0.427 0.000 1.064 231 I HN -0.045 8.319 8.210 0.099 -0.095 0.410 232 T N 1.805 116.406 114.554 0.078 0.000 2.720 232 T HA -0.044 nan 4.350 nan 0.000 0.268 232 T C -0.768 173.921 174.700 -0.019 0.000 1.037 232 T CA 6.381 68.460 62.100 -0.036 0.000 1.144 232 T CB -2.378 66.453 68.868 -0.061 0.000 0.864 232 T HN -0.138 8.580 8.240 0.224 -0.344 0.444 233 P HA -0.169 nan 4.420 nan 0.000 0.215 233 P C 1.657 178.988 177.300 0.052 0.000 1.153 233 P CA 3.527 66.664 63.100 0.061 0.000 0.853 233 P CB -0.415 31.306 31.700 0.034 0.000 0.788 234 T N 0.389 114.945 114.554 0.003 0.000 2.720 234 T HA -0.267 nan 4.350 nan 0.000 0.268 234 T C 2.399 177.081 174.700 -0.030 0.000 1.037 234 T CA 4.548 66.625 62.100 -0.039 0.000 1.144 234 T CB -0.213 68.597 68.868 -0.097 0.000 0.864 234 T HN -0.591 7.641 8.240 -0.012 0.000 0.444 235 V N 1.279 121.215 119.914 0.036 0.000 2.331 235 V HA -0.159 nan 4.120 nan 0.000 0.242 235 V C 1.670 177.915 176.094 0.251 0.000 1.034 235 V CA 4.010 66.374 62.300 0.107 0.000 1.027 235 V CB -0.526 31.427 31.823 0.217 0.000 0.667 235 V HN -0.474 7.659 8.190 0.041 0.082 0.457 236 F N -1.126 118.835 119.950 0.018 0.000 2.269 236 F HA -0.245 nan 4.527 nan 0.000 0.301 236 F C 2.178 177.967 175.800 -0.018 0.000 1.082 236 F CA 1.703 59.715 58.000 0.019 0.000 1.360 236 F CB -1.000 38.056 39.000 0.095 0.000 1.041 236 F HN 0.234 8.755 8.300 0.539 0.103 0.512 237 L N -2.883 118.438 121.223 0.162 0.000 2.217 237 L HA -0.393 nan 4.340 nan 0.000 0.211 237 L C 1.836 178.703 176.870 -0.005 0.000 1.107 237 L CA 2.682 57.557 54.840 0.059 0.000 0.783 237 L CB -0.641 41.441 42.059 0.038 0.000 0.919 237 L HN 0.216 8.434 8.230 0.177 0.119 0.442 238 S N -0.147 115.542 115.700 -0.018 0.000 2.387 238 S HA -0.261 nan 4.470 nan 0.000 0.226 238 S C 2.140 176.693 174.600 -0.078 0.000 1.026 238 S CA 3.108 61.272 58.200 -0.059 0.000 0.972 238 S CB -0.278 62.867 63.200 -0.092 0.000 0.814 238 S HN -0.657 7.534 8.310 0.013 0.126 0.477 239 I N 2.248 122.740 120.570 -0.130 0.000 2.208 239 I HA -0.523 nan 4.170 nan 0.000 0.245 239 I C 1.594 177.548 176.117 -0.271 0.000 1.097 239 I CA 4.146 65.251 61.300 -0.326 0.000 1.363 239 I CB -0.349 37.312 38.000 -0.565 0.000 1.051 239 I HN -0.000 8.084 8.210 -0.088 0.073 0.413 240 E N -0.527 119.565 120.200 -0.179 0.000 2.171 240 E HA -0.329 nan 4.350 nan 0.000 0.197 240 E C 2.323 178.844 176.600 -0.132 0.000 0.997 240 E CA 3.441 59.755 56.400 -0.143 0.000 0.810 240 E CB -0.247 29.408 29.700 -0.075 0.000 0.738 240 E HN -0.222 8.054 8.360 -0.131 0.005 0.467 241 T N -4.572 109.918 114.554 -0.105 0.000 2.929 241 T HA -0.166 nan 4.350 nan 0.000 0.271 241 T C 1.868 176.483 174.700 -0.141 0.000 1.085 241 T CA 2.706 64.745 62.100 -0.102 0.000 1.125 241 T CB -0.628 68.191 68.868 -0.081 0.000 0.874 241 T HN -0.430 7.733 8.240 -0.092 0.022 0.494 242 D N 0.545 120.857 120.400 -0.147 0.000 2.346 242 D HA 0.137 nan 4.640 nan 0.000 0.206 242 D C 1.242 177.237 176.300 -0.508 0.000 1.001 242 D CA 1.892 55.760 54.000 -0.219 0.000 0.871 242 D CB -0.376 40.424 40.800 0.000 0.000 0.943 242 D HN -0.196 7.951 8.370 -0.115 0.154 0.518 243 E N 1.296 121.249 120.200 -0.411 0.000 2.110 243 E HA -0.250 nan 4.350 nan 0.000 0.193 243 E C 1.779 178.189 176.600 -0.318 0.000 0.988 243 E CA 2.467 58.597 56.400 -0.449 0.000 0.804 243 E CB -0.435 29.113 29.700 -0.253 0.000 0.745 243 E HN -0.643 7.437 8.360 -0.275 0.116 0.458 244 L N -2.051 119.039 121.223 -0.221 0.000 2.127 244 L HA -0.306 nan 4.340 nan 0.000 0.211 244 L C 2.081 178.908 176.870 -0.072 0.000 1.089 244 L CA 3.372 58.159 54.840 -0.088 0.000 0.757 244 L CB -0.335 41.714 42.059 -0.017 0.000 0.899 244 L HN 0.088 8.185 8.230 -0.221 0.000 0.434 245 R N -2.447 117.873 120.500 -0.300 0.000 2.096 245 R HA -0.352 nan 4.340 nan 0.000 0.235 245 R C 2.512 178.889 176.300 0.128 0.000 1.127 245 R CA 3.374 59.312 56.100 -0.270 0.000 0.968 245 R CB -0.394 29.676 30.300 -0.383 0.000 0.861 245 R HN -0.478 7.535 8.270 -0.409 0.012 0.440 246 H N 0.001 119.052 119.070 -0.031 0.000 2.395 246 H HA -0.170 nan 4.556 nan 0.000 0.299 246 H C 2.515 177.885 175.328 0.071 0.000 1.070 246 H CA 2.003 58.058 56.048 0.012 0.000 1.356 246 H CB 0.086 29.834 29.762 -0.025 0.000 1.401 246 H HN -0.503 7.563 8.280 -0.163 0.117 0.524 247 M N -0.748 118.965 119.600 0.187 0.000 2.229 247 M HA -0.379 nan 4.480 nan 0.000 0.264 247 M C 1.631 178.157 176.300 0.378 0.000 1.063 247 M CA 3.765 59.208 55.300 0.238 0.000 1.114 247 M CB 0.000 32.671 32.600 0.117 0.000 1.387 247 M HN -0.063 8.290 8.290 0.106 0.000 0.420 248 A N -0.943 122.055 122.820 0.296 0.000 1.930 248 A HA -0.361 nan 4.320 nan 0.000 0.217 248 A C 1.655 179.381 177.584 0.236 0.000 1.175 248 A CA 3.309 55.509 52.037 0.272 0.000 0.627 248 A CB -1.191 18.012 19.000 0.338 0.000 0.815 248 A HN 0.038 8.254 8.150 0.254 0.086 0.443 249 N N -1.299 117.523 118.700 0.204 0.000 2.120 249 N HA -0.347 nan 4.740 nan 0.000 0.188 249 N C 2.419 178.055 175.510 0.209 0.000 1.024 249 N CA 3.065 56.193 53.050 0.129 0.000 0.852 249 N CB 0.005 38.596 38.487 0.174 0.000 1.003 249 N HN -0.362 8.043 8.380 0.224 0.110 0.424 250 G N -0.404 108.558 108.800 0.271 0.000 2.421 250 G HA2 -0.317 nan 3.960 nan 0.000 0.216 250 G HA3 -0.317 nan 3.960 nan 0.000 0.216 250 G C 0.728 175.784 174.900 0.260 0.000 1.171 250 G CA 1.879 47.147 45.100 0.281 0.000 0.775 250 G HN -0.081 8.300 8.290 0.278 0.076 0.543 251 Y N 2.877 123.290 120.300 0.188 0.000 2.128 251 Y HA -0.462 nan 4.550 nan 0.000 0.284 251 Y C 1.901 177.752 175.900 -0.081 0.000 1.154 251 Y CA 3.766 61.884 58.100 0.030 0.000 1.149 251 Y CB 0.198 38.672 38.460 0.023 0.000 0.976 251 Y HN 0.164 8.750 8.280 0.510 0.000 0.505 252 Q N -2.378 117.518 119.800 0.160 0.000 2.124 252 Q HA -0.419 nan 4.340 nan 0.000 0.202 252 Q C 2.655 178.609 176.000 -0.077 0.000 0.977 252 Q CA 3.614 59.421 55.803 0.008 0.000 0.850 252 Q CB -0.157 28.565 28.738 -0.026 0.000 0.901 252 Q HN 0.224 8.644 8.270 0.250 0.000 0.429 253 T N 3.348 117.901 114.554 -0.001 0.000 2.684 253 T HA -0.315 nan 4.350 nan 0.000 0.267 253 T C 2.006 176.634 174.700 -0.120 0.000 1.036 253 T CA 4.854 66.967 62.100 0.021 0.000 1.148 253 T CB -0.517 68.407 68.868 0.093 0.000 0.863 253 T HN -0.136 8.051 8.240 0.068 0.093 0.436 254 V N 1.325 121.114 119.914 -0.207 0.000 2.295 254 V HA -0.327 nan 4.120 nan 0.000 0.246 254 V C 1.595 177.407 176.094 -0.471 0.000 1.049 254 V CA 4.419 66.525 62.300 -0.323 0.000 1.024 254 V CB -0.759 30.834 31.823 -0.384 0.000 0.648 254 V HN -0.473 7.616 8.190 -0.168 0.000 0.447 255 V N -1.153 118.375 119.914 -0.644 0.000 2.332 255 V HA -0.475 nan 4.120 nan 0.000 0.248 255 V C 1.594 177.512 176.094 -0.294 0.000 1.055 255 V CA 4.141 66.037 62.300 -0.672 0.000 1.038 255 V CB -0.919 30.587 31.823 -0.529 0.000 0.651 255 V HN -0.108 7.718 8.190 -0.607 0.000 0.450 256 S N -1.679 113.910 115.700 -0.185 0.000 2.447 256 S HA -0.226 nan 4.470 nan 0.000 0.233 256 S C 1.791 176.365 174.600 -0.044 0.000 1.006 256 S CA 3.046 61.196 58.200 -0.083 0.000 0.957 256 S CB 0.295 63.470 63.200 -0.041 0.000 0.773 256 S HN 0.076 8.271 8.310 -0.191 0.000 0.507 257 I N -5.719 114.815 120.570 -0.061 0.000 4.057 257 I HA 0.372 nan 4.170 nan 0.000 0.334 257 I C 0.818 176.965 176.117 0.050 0.000 1.308 257 I CA 0.129 61.440 61.300 0.018 0.000 1.125 257 I CB 0.018 38.013 38.000 -0.007 0.000 1.034 257 I HN -0.688 7.416 8.210 -0.123 0.031 0.401 258 A N 2.131 124.945 122.820 -0.010 0.000 2.015 258 A HA -0.228 nan 4.320 nan 0.000 0.219 258 A C 0.716 178.342 177.584 0.070 0.000 1.163 258 A CA 2.593 54.654 52.037 0.040 0.000 0.646 258 A CB -0.654 18.371 19.000 0.040 0.000 0.806 258 A HN -0.387 7.712 8.150 -0.086 0.000 0.448 259 N N -2.569 116.163 118.700 0.053 0.000 2.295 259 N HA 0.125 nan 4.740 nan 0.000 0.221 259 N C -1.411 174.126 175.510 0.046 0.000 1.129 259 N CA -0.264 52.815 53.050 0.049 0.000 0.836 259 N CB -0.098 38.414 38.487 0.041 0.000 1.040 259 N HN -0.043 8.324 8.380 0.035 0.034 0.494 260 D N -0.391 120.046 120.400 0.062 0.000 2.481 260 D HA 0.455 nan 4.640 nan 0.000 0.244 260 D C -1.282 175.053 176.300 0.059 0.000 1.057 260 D CA -2.732 51.304 54.000 0.061 0.000 0.848 260 D CB 2.360 43.208 40.800 0.080 0.000 1.388 260 D HN -0.684 7.648 8.370 0.078 0.085 0.475 261 P HA -0.208 nan 4.420 nan 0.000 0.217 261 P C 0.289 177.580 177.300 -0.015 0.000 1.148 261 P CA 2.279 65.381 63.100 0.003 0.000 0.834 261 P CB 0.123 31.819 31.700 -0.006 0.000 0.783 262 A N -2.838 119.997 122.820 0.024 0.000 2.019 262 A HA -0.216 nan 4.320 nan 0.000 0.219 262 A C 1.576 179.201 177.584 0.069 0.000 1.164 262 A CA 2.598 54.651 52.037 0.026 0.000 0.644 262 A CB -0.660 18.372 19.000 0.053 0.000 0.805 262 A HN -0.381 8.039 8.150 0.051 -0.240 0.449 263 S N -1.262 114.538 115.700 0.168 0.000 2.356 263 S HA -0.365 nan 4.470 nan 0.000 0.223 263 S C 1.937 176.612 174.600 0.126 0.000 1.032 263 S CA 3.400 61.753 58.200 0.254 0.000 1.005 263 S CB -0.487 62.830 63.200 0.195 0.000 0.867 263 S HN -0.004 8.359 8.310 0.141 0.031 0.449 264 A N -0.161 122.676 122.820 0.029 0.000 1.972 264 A HA -0.147 nan 4.320 nan 0.000 0.219 264 A C 1.478 179.009 177.584 -0.088 0.000 1.169 264 A CA 2.456 54.483 52.037 -0.017 0.000 0.635 264 A CB -0.643 18.337 19.000 -0.033 0.000 0.810 264 A HN -0.059 8.107 8.150 0.026 0.000 0.446 265 K N -3.291 116.968 120.400 -0.236 0.000 2.116 265 K HA -0.109 nan 4.320 nan 0.000 0.203 265 K C 1.716 178.058 176.600 -0.430 0.000 1.052 265 K CA 2.707 58.696 56.287 -0.495 0.000 0.952 265 K CB 0.575 32.444 32.500 -1.052 0.000 0.729 265 K HN -0.578 7.423 8.250 -0.225 0.114 0.446 266 Y N -5.446 114.881 120.300 0.044 0.000 2.467 266 Y HA 0.135 nan 4.550 nan 0.000 0.259 266 Y C 1.207 177.247 175.900 0.234 0.000 1.084 266 Y CA 0.099 58.252 58.100 0.089 0.000 1.275 266 Y CB 0.885 39.304 38.460 -0.068 0.000 1.208 266 Y HN -0.298 7.934 8.280 -0.080 0.000 0.511 267 L N 1.362 122.842 121.223 0.430 0.000 1.990 267 L HA -0.506 nan 4.340 nan 0.000 0.213 267 L C 1.216 178.222 176.870 0.226 0.000 1.072 267 L CA 3.820 58.862 54.840 0.337 0.000 0.755 267 L CB -0.321 41.873 42.059 0.225 0.000 0.889 267 L HN 0.196 8.537 8.230 0.366 0.108 0.432 268 N N -2.494 116.310 118.700 0.172 0.000 2.309 268 N HA -0.289 nan 4.740 nan 0.000 0.182 268 N C 2.208 177.820 175.510 0.171 0.000 1.018 268 N CA 3.415 56.550 53.050 0.141 0.000 0.876 268 N CB -0.369 38.173 38.487 0.093 0.000 0.972 268 N HN 0.505 8.977 8.380 0.154 0.000 0.434 269 T N 3.615 118.289 114.554 0.200 0.000 2.732 269 T HA -0.231 nan 4.350 nan 0.000 0.261 269 T C 1.768 176.608 174.700 0.233 0.000 1.040 269 T CA 4.778 67.006 62.100 0.213 0.000 1.145 269 T CB -0.540 68.463 68.868 0.224 0.000 0.866 269 T HN -0.622 7.722 8.240 0.210 0.022 0.427 270 D N 2.329 122.883 120.400 0.256 0.000 2.144 270 D HA -0.211 nan 4.640 nan 0.000 0.199 270 D C 2.158 178.605 176.300 0.245 0.000 0.984 270 D CA 3.584 57.732 54.000 0.246 0.000 0.834 270 D CB -0.520 40.439 40.800 0.265 0.000 0.955 270 D HN -0.341 8.202 8.370 0.288 0.000 0.465 271 L N -0.531 120.836 121.223 0.240 0.000 2.027 271 L HA -0.385 nan 4.340 nan 0.000 0.206 271 L C 1.508 178.575 176.870 0.329 0.000 1.074 271 L CA 3.215 58.219 54.840 0.275 0.000 0.745 271 L CB -0.111 42.087 42.059 0.232 0.000 0.898 271 L HN 0.253 8.612 8.230 0.226 0.007 0.433 272 N N -0.912 117.949 118.700 0.268 0.000 2.120 272 N HA -0.404 nan 4.740 nan 0.000 0.188 272 N C 2.027 177.732 175.510 0.325 0.000 1.024 272 N CA 3.520 56.730 53.050 0.266 0.000 0.852 272 N CB -0.163 38.412 38.487 0.148 0.000 1.003 272 N HN 0.141 8.543 8.380 0.225 0.113 0.424 273 N N 0.548 119.425 118.700 0.294 0.000 2.120 273 N HA -0.352 nan 4.740 nan 0.000 0.188 273 N C 1.939 177.647 175.510 0.330 0.000 1.024 273 N CA 3.211 56.448 53.050 0.311 0.000 0.852 273 N CB 0.078 38.727 38.487 0.271 0.000 1.003 273 N HN 0.135 8.675 8.380 0.266 0.000 0.424 274 A N 0.388 123.400 122.820 0.320 0.000 1.898 274 A HA -0.224 nan 4.320 nan 0.000 0.216 274 A C 1.536 179.314 177.584 0.323 0.000 1.181 274 A CA 2.959 55.181 52.037 0.307 0.000 0.620 274 A CB -0.704 18.477 19.000 0.302 0.000 0.819 274 A HN 0.046 8.382 8.150 0.311 0.000 0.442 275 F N 0.084 120.190 119.950 0.260 0.000 2.075 275 F HA -0.371 nan 4.527 nan 0.000 0.297 275 F C 0.677 176.608 175.800 0.218 0.000 1.113 275 F CA 3.375 61.507 58.000 0.221 0.000 1.218 275 F CB 0.285 39.455 39.000 0.283 0.000 0.984 275 F HN 0.058 8.675 8.300 0.529 0.000 0.472 276 W N -1.217 120.048 121.300 -0.058 0.000 2.355 276 W HA -0.465 nan 4.660 nan 0.000 0.309 276 W C 1.733 178.190 176.519 -0.103 0.000 1.206 276 W CA 3.845 61.083 57.345 -0.178 0.000 1.284 276 W CB 0.328 29.765 29.460 -0.039 0.000 1.145 276 W HN 0.087 8.582 8.180 0.525 0.000 0.502 277 T N 2.140 116.757 114.554 0.106 0.000 2.635 277 T HA -0.531 nan 4.350 nan 0.000 0.267 277 T C 2.441 177.070 174.700 -0.119 0.000 1.040 277 T CA 5.453 67.577 62.100 0.040 0.000 1.156 277 T CB -0.590 68.366 68.868 0.147 0.000 0.863 277 T HN -0.157 8.247 8.240 0.272 0.000 0.430 278 Q N 0.085 119.850 119.800 -0.059 0.000 2.050 278 Q HA -0.306 nan 4.340 nan 0.000 0.202 278 Q C 2.322 178.140 176.000 -0.303 0.000 0.980 278 Q CA 2.956 58.729 55.803 -0.049 0.000 0.840 278 Q CB -0.528 28.354 28.738 0.240 0.000 0.898 278 Q HN -0.083 8.204 8.270 0.028 0.000 0.424 279 Q N -0.180 119.398 119.800 -0.370 0.000 2.170 279 Q HA -0.305 nan 4.340 nan 0.000 0.203 279 Q C 2.352 178.115 176.000 -0.396 0.000 0.976 279 Q CA 2.738 58.342 55.803 -0.332 0.000 0.858 279 Q CB -0.971 27.536 28.738 -0.384 0.000 0.907 279 Q HN 0.054 8.069 8.270 -0.425 0.000 0.433 280 K N -0.399 119.644 120.400 -0.595 0.000 2.113 280 K HA -0.323 nan 4.320 nan 0.000 0.208 280 K C 1.218 177.640 176.600 -0.296 0.000 1.047 280 K CA 2.567 58.548 56.287 -0.511 0.000 0.928 280 K CB -0.415 31.793 32.500 -0.486 0.000 0.716 280 K HN -0.141 7.681 8.250 -0.687 0.016 0.446 281 Y N -2.629 117.395 120.300 -0.461 0.000 2.230 281 Y HA -0.138 nan 4.550 nan 0.000 0.294 281 Y C 1.301 176.882 175.900 -0.531 0.000 1.120 281 Y CA 2.940 60.721 58.100 -0.531 0.000 1.129 281 Y CB 1.314 39.303 38.460 -0.785 0.000 1.040 281 Y HN -0.840 7.239 8.280 -0.317 0.011 0.519 282 F N -2.441 117.302 119.950 -0.345 0.000 2.234 282 F HA -0.318 nan 4.527 nan 0.000 0.299 282 F C 2.505 178.241 175.800 -0.107 0.000 1.087 282 F CA 3.845 61.613 58.000 -0.387 0.000 1.340 282 F CB -0.821 37.696 39.000 -0.805 0.000 1.031 282 F HN -0.012 7.938 8.300 -0.584 0.000 0.500 283 T N 1.000 115.674 114.554 0.200 0.000 2.652 283 T HA -0.148 nan 4.350 nan 0.000 0.267 283 T C -0.615 174.213 174.700 0.213 0.000 1.039 283 T CA 6.565 68.924 62.100 0.432 0.000 1.153 283 T CB -2.377 66.637 68.868 0.243 0.000 0.863 283 T HN 0.184 8.340 8.240 0.039 0.107 0.428 284 P HA 0.047 nan 4.420 nan 0.000 0.217 284 P C 1.294 178.456 177.300 -0.230 0.000 1.154 284 P CA 2.538 65.598 63.100 -0.065 0.000 0.841 284 P CB -0.276 31.379 31.700 -0.075 0.000 0.790 285 V N -0.328 119.347 119.914 -0.398 0.000 2.261 285 V HA -0.364 nan 4.120 nan 0.000 0.246 285 V C 2.506 178.315 176.094 -0.476 0.000 1.047 285 V CA 4.826 66.844 62.300 -0.471 0.000 1.015 285 V CB -0.822 30.527 31.823 -0.790 0.000 0.642 285 V HN -0.274 7.633 8.190 -0.471 0.000 0.446 286 L N -1.425 119.498 121.223 -0.500 0.000 1.989 286 L HA -0.300 nan 4.340 nan 0.000 0.211 286 L C 2.267 178.301 176.870 -1.393 0.000 1.071 286 L CA 2.942 57.266 54.840 -0.860 0.000 0.749 286 L CB -1.305 40.365 42.059 -0.647 0.000 0.890 286 L HN 0.112 8.048 8.230 -0.309 0.108 0.431 287 G N -2.858 104.801 108.800 -1.900 0.000 2.450 287 G HA2 -0.433 nan 3.960 nan 0.000 0.220 287 G HA3 -0.433 nan 3.960 nan 0.000 0.220 287 G C 0.887 175.410 174.900 -0.627 0.000 1.130 287 G CA 2.052 45.986 45.100 -1.943 0.000 0.760 287 G HN -0.519 6.749 8.290 -1.703 0.000 0.557 288 M N 2.163 121.527 119.600 -0.393 0.000 2.123 288 M HA -0.237 nan 4.480 nan 0.000 0.263 288 M C 1.627 177.836 176.300 -0.153 0.000 1.069 288 M CA 3.576 58.836 55.300 -0.067 0.000 1.133 288 M CB 0.131 32.690 32.600 -0.069 0.000 1.356 288 M HN -0.605 7.268 8.290 -0.506 0.113 0.415 289 L N -0.561 120.439 121.223 -0.372 0.000 2.042 289 L HA -0.351 nan 4.340 nan 0.000 0.210 289 L C 2.734 179.396 176.870 -0.346 0.000 1.076 289 L CA 3.081 57.676 54.840 -0.408 0.000 0.749 289 L CB -1.360 40.364 42.059 -0.557 0.000 0.893 289 L HN 0.082 8.032 8.230 -0.466 0.000 0.432 290 F N -1.433 118.188 119.950 -0.548 0.000 2.053 290 F HA -0.372 nan 4.527 nan 0.000 0.292 290 F C 2.263 177.617 175.800 -0.742 0.000 1.125 290 F CA 2.205 59.627 58.000 -0.963 0.000 1.193 290 F CB -0.930 37.167 39.000 -1.505 0.000 0.996 290 F HN 0.153 7.992 8.300 -0.768 0.000 0.470 291 E N -1.638 118.425 120.200 -0.229 0.000 2.072 291 E HA -0.346 nan 4.350 nan 0.000 0.191 291 E C 2.815 179.271 176.600 -0.241 0.000 0.985 291 E CA 3.278 59.584 56.400 -0.156 0.000 0.801 291 E CB 0.126 29.888 29.700 0.105 0.000 0.750 291 E HN -0.132 8.119 8.360 -0.182 0.000 0.452 292 Y N -3.120 117.101 120.300 -0.132 0.000 2.510 292 Y HA 0.016 nan 4.550 nan 0.000 0.273 292 Y C 1.520 177.292 175.900 -0.212 0.000 1.119 292 Y CA 1.286 59.200 58.100 -0.310 0.000 1.286 292 Y CB 0.350 38.188 38.460 -1.038 0.000 1.061 292 Y HN 0.049 8.368 8.280 0.064 0.000 0.542 293 G N -3.208 105.588 108.800 -0.006 0.000 3.042 293 G HA2 -0.014 nan 3.960 nan 0.000 0.212 293 G HA3 -0.014 nan 3.960 nan 0.000 0.212 293 G C -1.350 173.664 174.900 0.190 0.000 1.166 293 G CA -0.278 44.840 45.100 0.030 0.000 0.767 293 G HN -0.466 7.802 8.290 -0.037 0.000 0.546 294 S N -2.427 113.358 115.700 0.142 0.000 2.677 294 S HA 0.318 nan 4.470 nan 0.000 0.304 294 S C -0.732 173.760 174.600 -0.180 0.000 1.108 294 S CA -1.911 56.378 58.200 0.149 0.000 0.944 294 S CB 3.063 66.440 63.200 0.295 0.000 1.127 294 S HN -0.859 7.406 8.310 0.027 0.061 0.511 295 K N 1.848 121.998 120.400 -0.417 0.000 2.214 295 K HA -0.012 nan 4.320 nan 0.000 0.210 295 K C -0.840 175.364 176.600 -0.661 0.000 1.036 295 K CA 0.689 56.522 56.287 -0.757 0.000 0.958 295 K CB 0.156 31.800 32.500 -1.428 0.000 0.973 295 K HN 0.391 8.458 8.250 -0.305 0.000 0.466 296 F N -0.463 119.281 119.950 -0.344 0.000 2.427 296 F HA 0.051 nan 4.527 nan 0.000 0.352 296 F C -0.206 175.328 175.800 -0.443 0.000 1.100 296 F CA -0.083 57.698 58.000 -0.365 0.000 1.191 296 F CB 0.692 39.504 39.000 -0.313 0.000 1.128 296 F HN -0.402 7.630 8.300 -0.447 0.000 0.533 297 K N 3.177 123.325 120.400 -0.420 0.000 2.185 297 K HA 0.160 nan 4.320 nan 0.000 0.269 297 K C -0.884 175.206 176.600 -0.850 0.000 0.987 297 K CA -1.136 54.722 56.287 -0.715 0.000 0.865 297 K CB 0.806 32.711 32.500 -0.992 0.000 1.090 297 K HN 0.069 8.101 8.250 -0.364 0.000 0.450 298 V N 3.961 122.917 119.914 -1.596 0.000 2.500 298 V HA -0.040 nan 4.120 nan 0.000 0.243 298 V C 0.043 175.839 176.094 -0.497 0.000 1.039 298 V CA 1.769 63.406 62.300 -1.106 0.000 1.053 298 V CB 0.587 31.463 31.823 -1.577 0.000 0.695 298 V HN 0.301 6.617 8.190 -3.123 0.000 0.463 299 E N -1.191 118.865 120.200 -0.240 0.000 2.400 299 E HA 0.338 nan 4.350 nan 0.000 0.285 299 E C -2.691 174.189 176.600 0.466 0.000 1.005 299 E CA -2.691 53.793 56.400 0.140 0.000 0.816 299 E CB 2.088 31.840 29.700 0.087 0.000 1.220 299 E HN -0.540 7.608 8.360 -0.354 0.000 0.426 300 P HA 0.041 nan 4.420 nan 0.000 0.271 300 P C -0.068 177.490 177.300 0.429 0.000 1.220 300 P CA -0.610 62.798 63.100 0.514 0.000 0.768 300 P CB 0.428 32.163 31.700 0.058 0.000 0.848 301 W N 5.444 126.936 121.300 0.321 0.000 2.325 301 W HA -0.447 nan 4.660 nan 0.000 0.299 301 W C 1.038 177.571 176.519 0.023 0.000 1.215 301 W CA 3.141 60.531 57.345 0.075 0.000 1.244 301 W CB 0.427 29.768 29.460 -0.197 0.000 1.140 301 W HN 0.737 9.798 8.180 0.854 -0.368 0.523 302 V N -5.340 114.589 119.914 0.025 0.000 2.332 302 V HA -0.552 nan 4.120 nan 0.000 0.248 302 V C 1.805 177.809 176.094 -0.150 0.000 1.055 302 V CA 3.557 65.762 62.300 -0.158 0.000 1.038 302 V CB -1.298 30.413 31.823 -0.185 0.000 0.651 302 V HN -0.239 8.112 8.190 0.307 0.024 0.450 303 K N -0.294 120.040 120.400 -0.110 0.000 2.031 303 K HA -0.280 nan 4.320 nan 0.000 0.205 303 K C 1.893 178.403 176.600 -0.151 0.000 1.049 303 K CA 3.332 59.567 56.287 -0.086 0.000 0.939 303 K CB 0.004 32.477 32.500 -0.045 0.000 0.717 303 K HN -0.409 7.792 8.250 -0.067 0.009 0.438 304 T N 2.394 116.796 114.554 -0.253 0.000 2.652 304 T HA -0.296 nan 4.350 nan 0.000 0.267 304 T C 1.406 175.602 174.700 -0.840 0.000 1.039 304 T CA 4.992 66.769 62.100 -0.537 0.000 1.153 304 T CB -0.735 67.802 68.868 -0.552 0.000 0.863 304 T HN -0.544 7.601 8.240 -0.158 0.000 0.428 305 W N 1.213 121.790 121.300 -1.205 0.000 2.317 305 W HA -0.505 nan 4.660 nan 0.000 0.318 305 W C 1.234 177.536 176.519 -0.363 0.000 1.227 305 W CA 4.182 60.932 57.345 -0.993 0.000 1.269 305 W CB 0.103 28.887 29.460 -1.127 0.000 1.155 305 W HN 0.554 8.012 8.180 -1.023 0.108 0.484 306 D N -2.065 118.370 120.400 0.059 0.000 2.123 306 D HA -0.463 nan 4.640 nan 0.000 0.196 306 D C 2.047 178.362 176.300 0.025 0.000 0.992 306 D CA 3.856 57.917 54.000 0.101 0.000 0.833 306 D CB -0.090 40.771 40.800 0.102 0.000 0.954 306 D HN -0.587 7.807 8.370 0.041 0.000 0.455 307 R N -0.452 120.046 120.500 -0.003 0.000 2.066 307 R HA -0.303 nan 4.340 nan 0.000 0.232 307 R C 2.282 178.693 176.300 0.185 0.000 1.131 307 R CA 3.415 59.572 56.100 0.096 0.000 0.955 307 R CB 0.021 30.395 30.300 0.123 0.000 0.851 307 R HN -0.435 7.718 8.270 -0.073 0.073 0.432 308 W N -2.467 118.748 121.300 -0.142 0.000 2.353 308 W HA -0.227 nan 4.660 nan 0.000 0.319 308 W C 2.706 179.081 176.519 -0.241 0.000 1.207 308 W CA 2.863 60.096 57.345 -0.188 0.000 1.291 308 W CB -0.600 28.706 29.460 -0.256 0.000 1.159 308 W HN 0.292 8.506 8.180 0.057 0.000 0.478 309 V N -2.241 117.547 119.914 -0.210 0.000 2.302 309 V HA -0.356 nan 4.120 nan 0.000 0.243 309 V C 1.908 178.015 176.094 0.022 0.000 1.036 309 V CA 4.881 67.006 62.300 -0.293 0.000 1.020 309 V CB -0.799 30.452 31.823 -0.953 0.000 0.657 309 V HN 0.351 8.312 8.190 -0.382 0.000 0.453 310 Y N -0.543 119.646 120.300 -0.186 0.000 2.153 310 Y HA -0.380 nan 4.550 nan 0.000 0.289 310 Y C 1.728 177.651 175.900 0.038 0.000 1.127 310 Y CA 3.332 61.428 58.100 -0.007 0.000 1.131 310 Y CB 0.170 38.660 38.460 0.050 0.000 0.995 310 Y HN -0.661 7.591 8.280 -0.047 0.000 0.505 311 E N -1.821 118.487 120.200 0.179 0.000 2.012 311 E HA -0.307 nan 4.350 nan 0.000 0.192 311 E C 2.330 178.988 176.600 0.097 0.000 0.977 311 E CA 2.617 59.088 56.400 0.119 0.000 0.832 311 E CB 0.210 29.984 29.700 0.123 0.000 0.790 311 E HN -0.632 7.846 8.360 0.196 0.000 0.466 312 D N -0.138 120.336 120.400 0.125 0.000 2.127 312 D HA -0.296 nan 4.640 nan 0.000 0.190 312 D C 2.021 178.431 176.300 0.183 0.000 1.000 312 D CA 3.280 57.359 54.000 0.132 0.000 0.839 312 D CB -0.308 40.563 40.800 0.118 0.000 0.955 312 D HN 0.000 8.452 8.370 0.137 0.000 0.446 313 W N -0.065 121.237 121.300 0.004 0.000 2.539 313 W HA -0.100 nan 4.660 nan 0.000 0.315 313 W C 1.825 178.388 176.519 0.074 0.000 1.148 313 W CA 3.864 61.238 57.345 0.048 0.000 1.403 313 W CB 0.524 29.928 29.460 -0.093 0.000 1.168 313 W HN 0.070 8.417 8.180 0.277 0.000 0.489 314 G N -3.118 105.756 108.800 0.124 0.000 2.462 314 G HA2 -0.431 nan 3.960 nan 0.000 0.220 314 G HA3 -0.431 nan 3.960 nan 0.000 0.220 314 G C 0.582 175.323 174.900 -0.265 0.000 1.121 314 G CA 2.172 47.142 45.100 -0.216 0.000 0.758 314 G HN 0.353 8.890 8.290 0.410 0.000 0.559 315 G N 0.916 109.632 108.800 -0.140 0.000 2.695 315 G HA2 0.085 nan 3.960 nan 0.000 0.219 315 G HA3 0.085 nan 3.960 nan 0.000 0.219 315 G C 1.181 176.015 174.900 -0.109 0.000 1.295 315 G CA 0.598 45.628 45.100 -0.116 0.000 0.882 315 G HN -0.572 7.660 8.290 -0.051 0.027 0.570 316 I N 1.722 122.268 120.570 -0.040 0.000 2.110 316 I HA -0.358 nan 4.170 nan 0.000 0.236 316 I C 1.300 177.391 176.117 -0.044 0.000 1.068 316 I CA 4.093 65.379 61.300 -0.023 0.000 1.333 316 I CB 0.005 38.028 38.000 0.038 0.000 1.054 316 I HN -0.492 7.717 8.210 -0.001 0.000 0.402 317 W N -0.169 121.033 121.300 -0.164 0.000 2.317 317 W HA -0.466 nan 4.660 nan 0.000 0.318 317 W C 2.289 178.632 176.519 -0.294 0.000 1.227 317 W CA 3.277 60.509 57.345 -0.189 0.000 1.269 317 W CB 0.299 29.653 29.460 -0.176 0.000 1.155 317 W HN -0.002 8.282 8.180 0.172 0.000 0.484 318 I N -3.296 116.966 120.570 -0.513 0.000 2.226 318 I HA -0.413 nan 4.170 nan 0.000 0.245 318 I C 2.748 178.611 176.117 -0.422 0.000 1.100 318 I CA 2.964 63.896 61.300 -0.613 0.000 1.374 318 I CB -1.036 36.523 38.000 -0.734 0.000 1.057 318 I HN 0.358 8.322 8.210 -0.410 0.000 0.413 319 G N -0.791 107.822 108.800 -0.312 0.000 2.475 319 G HA2 -0.366 nan 3.960 nan 0.000 0.220 319 G HA3 -0.366 nan 3.960 nan 0.000 0.220 319 G C 1.846 176.614 174.900 -0.220 0.000 1.125 319 G CA 1.926 46.890 45.100 -0.225 0.000 0.755 319 G HN -0.160 7.891 8.290 -0.288 0.067 0.565 320 R N 1.227 121.573 120.500 -0.257 0.000 2.189 320 R HA -0.250 nan 4.340 nan 0.000 0.223 320 R C 1.796 177.997 176.300 -0.165 0.000 1.092 320 R CA 2.454 58.437 56.100 -0.194 0.000 0.989 320 R CB -0.184 29.997 30.300 -0.199 0.000 0.876 320 R HN -0.504 7.467 8.270 -0.307 0.114 0.457 321 L N -3.131 117.941 121.223 -0.251 0.000 2.592 321 L HA 0.108 nan 4.340 nan 0.000 0.227 321 L C 1.689 178.465 176.870 -0.156 0.000 1.127 321 L CA -0.259 54.487 54.840 -0.158 0.000 0.884 321 L CB -0.658 41.263 42.059 -0.231 0.000 1.065 321 L HN 0.099 7.964 8.230 -0.345 0.157 0.457 322 G N 0.191 108.868 108.800 -0.204 0.000 2.442 322 G HA2 -0.336 nan 3.960 nan 0.000 0.219 322 G HA3 -0.336 nan 3.960 nan 0.000 0.219 322 G C 0.510 175.274 174.900 -0.227 0.000 1.141 322 G CA 2.320 47.309 45.100 -0.185 0.000 0.763 322 G HN -0.096 7.886 8.290 -0.213 0.180 0.554 323 K N 0.068 120.247 120.400 -0.368 0.000 2.442 323 K HA -0.234 nan 4.320 nan 0.000 0.198 323 K C 0.338 176.588 176.600 -0.583 0.000 1.044 323 K CA 2.138 58.130 56.287 -0.491 0.000 0.948 323 K CB -0.788 31.343 32.500 -0.615 0.000 0.762 323 K HN 0.048 8.066 8.250 -0.365 0.013 0.472 324 Y N -2.107 118.117 120.300 -0.127 0.000 2.555 324 Y HA 0.071 nan 4.550 nan 0.000 0.259 324 Y C -0.664 175.182 175.900 -0.089 0.000 1.179 324 Y CA -1.591 56.438 58.100 -0.120 0.000 1.230 324 Y CB -0.655 37.696 38.460 -0.181 0.000 1.146 324 Y HN -0.593 7.281 8.280 -0.366 0.186 0.526 325 G N -1.575 107.216 108.800 -0.015 0.000 2.143 325 G HA2 -0.441 nan 3.960 nan 0.000 0.249 325 G HA3 -0.441 nan 3.960 nan 0.000 0.249 325 G C -0.609 174.287 174.900 -0.007 0.000 0.981 325 G CA 0.160 45.255 45.100 -0.009 0.000 0.665 325 G HN -0.302 7.760 8.290 -0.091 0.174 0.528 326 V N 1.962 121.862 119.914 -0.024 0.000 2.498 326 V HA -0.008 nan 4.120 nan 0.000 0.279 326 V C -0.870 175.178 176.094 -0.077 0.000 1.048 326 V CA 0.420 62.696 62.300 -0.039 0.000 0.967 326 V CB 0.381 32.167 31.823 -0.061 0.000 0.988 326 V HN -0.738 7.397 8.190 -0.035 0.033 0.473 327 E N 5.082 125.244 120.200 -0.062 0.000 2.299 327 E HA 0.212 nan 4.350 nan 0.000 0.265 327 E C -1.162 175.369 176.600 -0.115 0.000 0.911 327 E CA -2.452 53.897 56.400 -0.084 0.000 0.789 327 E CB 2.297 31.969 29.700 -0.046 0.000 1.246 327 E HN -0.087 8.255 8.360 -0.031 0.000 0.427 328 S N 1.998 117.604 115.700 -0.156 0.000 2.558 328 S HA 0.026 nan 4.470 nan 0.000 0.288 328 S C -1.072 173.441 174.600 -0.145 0.000 1.318 328 S CA -0.168 57.905 58.200 -0.212 0.000 1.056 328 S CB -0.347 62.721 63.200 -0.220 0.000 0.853 328 S HN 0.193 8.415 8.310 -0.146 0.000 0.505 329 P HA 0.049 nan 4.420 nan 0.000 0.264 329 P C 0.577 177.820 177.300 -0.095 0.000 1.183 329 P CA 0.202 63.238 63.100 -0.106 0.000 0.763 329 P CB 0.437 32.001 31.700 -0.228 0.000 0.807 330 R N 3.347 123.821 120.500 -0.044 0.000 2.193 330 R HA -0.234 nan 4.340 nan 0.000 0.229 330 R C 0.684 176.957 176.300 -0.045 0.000 1.110 330 R CA 2.804 58.904 56.100 -0.000 0.000 0.988 330 R CB -0.682 29.670 30.300 0.087 0.000 0.871 330 R HN 0.549 8.855 8.270 -0.017 -0.046 0.458 331 S N -1.934 113.612 115.700 -0.257 0.000 2.605 331 S HA 0.076 nan 4.470 nan 0.000 0.217 331 S C 0.999 175.778 174.600 0.298 0.000 0.958 331 S CA 0.223 58.227 58.200 -0.328 0.000 0.919 331 S CB 0.940 63.409 63.200 -1.218 0.000 0.780 331 S HN -0.300 8.097 8.310 -0.238 -0.230 0.507 332 L N 2.459 123.821 121.223 0.233 0.000 1.989 332 L HA -0.390 nan 4.340 nan 0.000 0.211 332 L C 1.196 178.411 176.870 0.575 0.000 1.071 332 L CA 4.039 59.099 54.840 0.366 0.000 0.749 332 L CB -0.232 41.833 42.059 0.010 0.000 0.890 332 L HN -0.437 7.751 8.230 0.048 0.071 0.431 333 K N -1.982 118.683 120.400 0.442 0.000 2.063 333 K HA -0.426 nan 4.320 nan 0.000 0.208 333 K C 2.118 178.996 176.600 0.462 0.000 1.048 333 K CA 3.584 60.151 56.287 0.465 0.000 0.928 333 K CB -0.652 32.052 32.500 0.340 0.000 0.713 333 K HN 0.165 8.601 8.250 0.311 0.000 0.442 334 D N -1.197 119.499 120.400 0.494 0.000 2.144 334 D HA -0.234 nan 4.640 nan 0.000 0.199 334 D C 1.945 178.644 176.300 0.666 0.000 0.984 334 D CA 3.158 57.492 54.000 0.556 0.000 0.834 334 D CB -0.718 40.473 40.800 0.650 0.000 0.955 334 D HN -0.129 8.515 8.370 0.464 0.004 0.465 335 A N -0.480 122.820 122.820 0.800 0.000 1.933 335 A HA -0.251 nan 4.320 nan 0.000 0.218 335 A C 1.822 179.672 177.584 0.443 0.000 1.175 335 A CA 3.077 55.508 52.037 0.656 0.000 0.628 335 A CB -0.506 18.959 19.000 0.776 0.000 0.814 335 A HN -0.008 8.541 8.150 0.821 0.094 0.444 336 K N -1.556 119.162 120.400 0.531 0.000 2.057 336 K HA -0.391 nan 4.320 nan 0.000 0.206 336 K C 2.161 178.814 176.600 0.088 0.000 1.050 336 K CA 3.021 59.447 56.287 0.233 0.000 0.935 336 K CB -0.179 32.472 32.500 0.251 0.000 0.715 336 K HN -0.213 8.363 8.250 0.673 0.078 0.439 337 Q N -1.683 118.245 119.800 0.213 0.000 2.045 337 Q HA -0.338 nan 4.340 nan 0.000 0.206 337 Q C 2.682 178.795 176.000 0.189 0.000 0.991 337 Q CA 2.905 58.825 55.803 0.195 0.000 0.851 337 Q CB 0.005 28.889 28.738 0.244 0.000 0.911 337 Q HN -0.125 8.328 8.270 0.305 0.000 0.418 338 D N -2.319 118.216 120.400 0.224 0.000 2.347 338 D HA -0.028 nan 4.640 nan 0.000 0.215 338 D C 0.864 177.228 176.300 0.105 0.000 0.976 338 D CA 1.705 55.832 54.000 0.212 0.000 0.884 338 D CB -0.296 40.673 40.800 0.282 0.000 0.915 338 D HN -0.327 8.216 8.370 0.288 0.000 0.526 339 A N -0.506 122.267 122.820 -0.078 0.000 1.873 339 A HA -0.209 nan 4.320 nan 0.000 0.215 339 A C 1.641 179.131 177.584 -0.157 0.000 1.186 339 A CA 2.459 54.293 52.037 -0.339 0.000 0.616 339 A CB -0.596 17.714 19.000 -1.150 0.000 0.823 339 A HN -0.510 7.421 8.150 -0.076 0.173 0.442 340 Y N -0.630 119.561 120.300 -0.182 0.000 2.024 340 Y HA -0.536 nan 4.550 nan 0.000 0.257 340 Y C 0.539 176.417 175.900 -0.036 0.000 1.233 340 Y CA 4.168 62.170 58.100 -0.164 0.000 1.087 340 Y CB -0.045 38.242 38.460 -0.289 0.000 0.905 340 Y HN -0.683 7.608 8.280 0.017 0.000 0.503 341 W N -6.712 114.802 121.300 0.357 0.000 3.278 341 W HA -0.013 nan 4.660 nan 0.000 0.308 341 W C 0.755 177.391 176.519 0.196 0.000 1.253 341 W CA -0.984 56.554 57.345 0.322 0.000 1.759 341 W CB -0.494 29.212 29.460 0.411 0.000 1.093 341 W HN -0.441 8.045 8.180 0.511 0.000 0.648 342 A N 1.438 124.469 122.820 0.352 0.000 1.884 342 A HA -0.547 nan 4.320 nan 0.000 0.219 342 A C 1.227 178.935 177.584 0.207 0.000 1.197 342 A CA 3.439 55.627 52.037 0.251 0.000 0.637 342 A CB -1.081 18.004 19.000 0.142 0.000 0.827 342 A HN -0.007 8.134 8.150 0.289 0.183 0.450 343 H N -3.802 115.252 119.070 -0.026 0.000 2.389 343 H HA -0.343 nan 4.556 nan 0.000 0.299 343 H C 2.347 177.634 175.328 -0.069 0.000 1.081 343 H CA 2.764 58.739 56.048 -0.122 0.000 1.345 343 H CB -0.653 28.953 29.762 -0.261 0.000 1.393 343 H HN 0.221 8.825 8.280 0.539 0.000 0.520 344 H N 1.040 119.925 119.070 -0.307 0.000 2.326 344 H HA -0.324 nan 4.556 nan 0.000 0.301 344 H C 2.371 177.637 175.328 -0.102 0.000 1.081 344 H CA 3.171 58.984 56.048 -0.391 0.000 1.334 344 H CB 0.013 29.335 29.762 -0.734 0.000 1.385 344 H HN -0.612 7.263 8.280 -0.637 0.023 0.504 345 D N -0.262 120.331 120.400 0.322 0.000 2.123 345 D HA -0.300 nan 4.640 nan 0.000 0.196 345 D C 2.432 178.895 176.300 0.273 0.000 0.992 345 D CA 3.357 57.600 54.000 0.406 0.000 0.833 345 D CB -0.220 40.792 40.800 0.352 0.000 0.954 345 D HN -0.089 8.487 8.370 0.342 0.000 0.455 346 L N -0.865 120.467 121.223 0.183 0.000 2.109 346 L HA -0.299 nan 4.340 nan 0.000 0.207 346 L C 1.370 178.309 176.870 0.116 0.000 1.086 346 L CA 2.783 57.700 54.840 0.129 0.000 0.760 346 L CB -0.023 42.074 42.059 0.062 0.000 0.910 346 L HN -0.374 7.946 8.230 0.165 0.008 0.437 347 Y N -0.174 120.076 120.300 -0.085 0.000 2.224 347 Y HA -0.443 nan 4.550 nan 0.000 0.289 347 Y C 1.859 177.822 175.900 0.105 0.000 1.146 347 Y CA 3.973 61.974 58.100 -0.165 0.000 1.182 347 Y CB -0.150 37.848 38.460 -0.769 0.000 0.983 347 Y HN -0.374 7.958 8.280 0.087 0.000 0.524 348 L N -1.718 119.648 121.223 0.238 0.000 2.013 348 L HA -0.471 nan 4.340 nan 0.000 0.212 348 L C 2.204 179.304 176.870 0.383 0.000 1.073 348 L CA 3.524 58.600 54.840 0.393 0.000 0.753 348 L CB -0.700 41.584 42.059 0.374 0.000 0.890 348 L HN -0.636 7.733 8.230 0.245 0.008 0.432 349 L N -1.763 119.575 121.223 0.193 0.000 2.027 349 L HA -0.333 nan 4.340 nan 0.000 0.206 349 L C 2.071 178.928 176.870 -0.022 0.000 1.074 349 L CA 2.716 57.565 54.840 0.016 0.000 0.745 349 L CB -1.286 40.781 42.059 0.013 0.000 0.898 349 L HN -0.827 7.439 8.230 0.195 0.081 0.433 350 A N -0.479 122.327 122.820 -0.023 0.000 1.902 350 A HA -0.324 nan 4.320 nan 0.000 0.217 350 A C 1.698 179.222 177.584 -0.099 0.000 1.181 350 A CA 2.992 55.002 52.037 -0.046 0.000 0.623 350 A CB -0.705 18.279 19.000 -0.028 0.000 0.818 350 A HN -0.136 8.011 8.150 -0.005 0.000 0.443 351 Y N -1.908 118.213 120.300 -0.299 0.000 2.200 351 Y HA -0.387 nan 4.550 nan 0.000 0.290 351 Y C 2.142 178.020 175.900 -0.037 0.000 1.137 351 Y CA 3.016 61.005 58.100 -0.187 0.000 1.163 351 Y CB 0.591 38.934 38.460 -0.195 0.000 0.988 351 Y HN -0.073 8.092 8.280 -0.192 0.000 0.518 352 A N -0.506 122.339 122.820 0.043 0.000 1.940 352 A HA -0.277 nan 4.320 nan 0.000 0.219 352 A C 1.186 178.564 177.584 -0.344 0.000 1.176 352 A CA 2.865 54.773 52.037 -0.215 0.000 0.631 352 A CB -0.476 18.436 19.000 -0.147 0.000 0.814 352 A HN 0.132 8.286 8.150 0.183 0.106 0.446 353 L N -4.296 116.766 121.223 -0.269 0.000 2.728 353 L HA 0.190 nan 4.340 nan 0.000 0.235 353 L C 0.405 177.051 176.870 -0.373 0.000 1.197 353 L CA -1.367 53.294 54.840 -0.299 0.000 0.992 353 L CB -1.572 40.406 42.059 -0.135 0.000 1.263 353 L HN -0.280 7.741 8.230 -0.176 0.103 0.484 354 W N -0.274 120.748 121.300 -0.464 0.000 2.308 354 W HA -0.256 nan 4.660 nan 0.000 0.301 354 W C -1.773 174.449 176.519 -0.496 0.000 1.220 354 W CA 3.753 60.766 57.345 -0.554 0.000 1.240 354 W CB -3.458 25.531 29.460 -0.785 0.000 1.142 354 W HN 0.098 7.869 8.180 -0.376 0.183 0.521 355 P HA -0.131 nan 4.420 nan 0.000 0.228 355 P C -0.108 176.935 177.300 -0.430 0.000 1.151 355 P CA 1.771 64.286 63.100 -0.974 0.000 0.770 355 P CB -0.630 30.356 31.700 -1.191 0.000 0.786 356 T N -6.795 107.566 114.554 -0.321 0.000 3.107 356 T HA 0.151 nan 4.350 nan 0.000 0.249 356 T C 0.832 175.455 174.700 -0.128 0.000 1.096 356 T CA -0.239 61.769 62.100 -0.153 0.000 1.012 356 T CB 0.205 69.048 68.868 -0.042 0.000 0.977 356 T HN -0.158 7.797 8.240 -0.370 0.063 0.527 357 G N 1.189 109.800 108.800 -0.315 0.000 2.510 357 G HA2 0.234 nan 3.960 nan 0.000 0.280 357 G HA3 0.234 nan 3.960 nan 0.000 0.280 357 G C -1.861 172.832 174.900 -0.344 0.000 1.386 357 G CA -1.161 43.599 45.100 -0.566 0.000 1.047 357 G HN -0.417 7.597 8.290 -0.368 0.055 0.527 358 F N -4.855 114.779 119.950 -0.527 0.000 2.810 358 F HA 0.337 nan 4.527 nan 0.000 0.353 358 F C -2.136 173.641 175.800 -0.038 0.000 1.227 358 F CA -3.534 54.376 58.000 -0.151 0.000 1.210 358 F CB 0.046 39.055 39.000 0.015 0.000 1.039 358 F HN -0.326 7.233 8.300 -1.235 0.000 0.509 359 F N -5.652 114.080 119.950 -0.363 0.000 2.713 359 F HA 0.443 nan 4.527 nan 0.000 0.311 359 F C -2.022 173.629 175.800 -0.249 0.000 1.141 359 F CA -1.989 55.781 58.000 -0.385 0.000 0.939 359 F CB 2.130 40.755 39.000 -0.626 0.000 1.325 359 F HN -0.855 6.722 8.300 -1.105 0.060 0.453 360 R N -0.103 120.382 120.500 -0.024 0.000 2.346 360 R HA 0.573 nan 4.340 nan 0.000 0.311 360 R C -0.939 175.379 176.300 0.030 0.000 0.983 360 R CA -0.569 55.474 56.100 -0.095 0.000 0.880 360 R CB 1.416 31.643 30.300 -0.122 0.000 1.100 360 R HN 0.232 8.815 8.270 0.015 -0.304 0.453 361 L N 3.474 124.695 121.223 -0.005 0.000 2.334 361 L HA 0.432 nan 4.340 nan 0.000 0.273 361 L C -1.547 175.465 176.870 0.236 0.000 1.013 361 L CA -1.857 53.099 54.840 0.193 0.000 0.816 361 L CB 3.002 45.205 42.059 0.241 0.000 1.278 361 L HN 0.438 8.558 8.230 -0.183 0.000 0.431 362 A N 0.890 123.909 122.820 0.332 0.000 2.374 362 A HA 0.625 nan 4.320 nan 0.000 0.317 362 A C -1.441 176.267 177.584 0.207 0.000 1.094 362 A CA -1.946 50.251 52.037 0.266 0.000 0.765 362 A CB 2.878 21.989 19.000 0.186 0.000 1.268 362 A HN -0.000 8.376 8.150 0.377 0.000 0.438 363 L N 0.189 121.447 121.223 0.058 0.000 2.436 363 L HA 0.226 nan 4.340 nan 0.000 0.265 363 L C -1.343 175.523 176.870 -0.006 0.000 1.168 363 L CA -2.053 52.693 54.840 -0.156 0.000 0.815 363 L CB -0.436 41.555 42.059 -0.114 0.000 1.109 363 L HN 0.562 8.866 8.230 0.124 0.000 0.462 364 P HA -0.061 nan 4.420 nan 0.000 0.268 364 P C -1.853 175.524 177.300 0.128 0.000 1.205 364 P CA -0.241 62.940 63.100 0.135 0.000 0.771 364 P CB 0.513 32.398 31.700 0.307 0.000 0.858 365 D N 2.820 123.269 120.400 0.081 0.000 2.433 365 D HA -0.067 nan 4.640 nan 0.000 0.255 365 D C 1.663 178.021 176.300 0.097 0.000 1.226 365 D CA -0.875 53.169 54.000 0.073 0.000 1.015 365 D CB 0.561 41.377 40.800 0.027 0.000 1.091 365 D HN 0.115 8.889 8.370 0.041 -0.380 0.527 366 Q N -1.006 118.843 119.800 0.082 0.000 2.084 366 Q HA -0.320 nan 4.340 nan 0.000 0.202 366 Q C 2.594 178.636 176.000 0.070 0.000 0.978 366 Q CA 3.744 59.600 55.803 0.090 0.000 0.844 366 Q CB -0.520 28.259 28.738 0.068 0.000 0.898 366 Q HN 0.461 8.771 8.270 0.067 0.000 0.426 367 E N 0.049 120.267 120.200 0.031 0.000 2.077 367 E HA -0.305 nan 4.350 nan 0.000 0.193 367 E C 2.614 179.222 176.600 0.013 0.000 0.989 367 E CA 3.312 59.721 56.400 0.014 0.000 0.800 367 E CB -0.788 28.896 29.700 -0.027 0.000 0.746 367 E HN -0.237 8.199 8.360 0.018 -0.065 0.452 368 E N 0.194 120.377 120.200 -0.029 0.000 2.072 368 E HA -0.326 nan 4.350 nan 0.000 0.191 368 E C 2.554 179.177 176.600 0.039 0.000 0.985 368 E CA 2.828 59.170 56.400 -0.095 0.000 0.801 368 E CB -0.176 29.453 29.700 -0.119 0.000 0.750 368 E HN 0.055 8.754 8.360 -0.022 -0.353 0.452 369 M N -0.544 119.147 119.600 0.151 0.000 2.108 369 M HA -0.459 nan 4.480 nan 0.000 0.261 369 M C 2.261 178.660 176.300 0.166 0.000 1.066 369 M CA 4.474 59.906 55.300 0.220 0.000 1.107 369 M CB -0.124 32.717 32.600 0.402 0.000 1.356 369 M HN 0.170 8.550 8.290 0.151 0.000 0.406 370 E N -0.979 119.296 120.200 0.125 0.000 2.077 370 E HA -0.381 nan 4.350 nan 0.000 0.193 370 E C 2.140 178.780 176.600 0.066 0.000 0.989 370 E CA 2.803 59.258 56.400 0.091 0.000 0.800 370 E CB -0.367 29.372 29.700 0.065 0.000 0.746 370 E HN -0.364 8.062 8.360 0.115 0.002 0.452 371 W N 1.283 122.498 121.300 -0.141 0.000 2.358 371 W HA -0.380 nan 4.660 nan 0.000 0.303 371 W C 1.980 178.362 176.519 -0.228 0.000 1.208 371 W CA 4.069 61.282 57.345 -0.220 0.000 1.274 371 W CB 0.102 29.348 29.460 -0.356 0.000 1.138 371 W HN -0.059 8.142 8.180 0.159 0.075 0.515 372 F N -2.345 117.535 119.950 -0.117 0.000 2.102 372 F HA -0.510 nan 4.527 nan 0.000 0.298 372 F C 2.175 177.856 175.800 -0.199 0.000 1.105 372 F CA 3.840 61.565 58.000 -0.458 0.000 1.239 372 F CB -0.356 37.669 39.000 -1.627 0.000 0.991 372 F HN 0.449 8.550 8.300 -0.025 0.185 0.474 373 E N -0.534 119.774 120.200 0.180 0.000 2.106 373 E HA -0.305 nan 4.350 nan 0.000 0.192 373 E C 1.856 178.535 176.600 0.132 0.000 0.984 373 E CA 2.422 59.012 56.400 0.317 0.000 0.806 373 E CB -0.331 29.577 29.700 0.347 0.000 0.750 373 E HN -0.224 8.221 8.360 0.140 0.000 0.458 374 A N -0.889 121.914 122.820 -0.030 0.000 1.902 374 A HA -0.139 nan 4.320 nan 0.000 0.217 374 A C 1.680 179.129 177.584 -0.225 0.000 1.181 374 A CA 2.465 54.427 52.037 -0.126 0.000 0.623 374 A CB -0.127 18.758 19.000 -0.193 0.000 0.818 374 A HN -0.026 8.095 8.150 -0.048 0.000 0.443 375 N N -4.562 113.896 118.700 -0.404 0.000 2.392 375 N HA -0.008 nan 4.740 nan 0.000 0.177 375 N C -0.468 174.678 175.510 -0.607 0.000 1.066 375 N CA 1.573 54.268 53.050 -0.591 0.000 0.895 375 N CB 2.100 39.986 38.487 -1.002 0.000 0.988 375 N HN -0.505 7.603 8.380 -0.453 0.000 0.457 376 Y N -1.587 118.713 120.300 -0.000 0.000 2.592 376 Y HA 0.336 nan 4.550 nan 0.000 0.354 376 Y C -2.905 173.225 175.900 0.384 0.000 1.063 376 Y CA -3.003 55.209 58.100 0.187 0.000 1.205 376 Y CB 0.354 38.934 38.460 0.200 0.000 1.106 376 Y HN -0.166 8.094 8.280 0.129 0.097 0.649 377 P HA -0.264 nan 4.420 nan 0.000 0.261 377 P C -0.266 177.361 177.300 0.544 0.000 1.183 377 P CA 0.731 64.056 63.100 0.375 0.000 0.761 377 P CB -0.436 31.400 31.700 0.227 0.000 0.785 378 G N 2.131 111.224 108.800 0.488 0.000 2.201 378 G HA2 -0.276 nan 3.960 nan 0.000 0.212 378 G HA3 -0.276 nan 3.960 nan 0.000 0.212 378 G C 0.485 175.634 174.900 0.416 0.000 0.994 378 G CA -0.188 45.154 45.100 0.403 0.000 0.644 378 G HN -0.319 8.636 8.290 0.436 -0.403 0.508 379 W N 2.248 123.837 121.300 0.481 0.000 2.354 379 W HA -0.404 nan 4.660 nan 0.000 0.315 379 W C -0.189 176.506 176.519 0.294 0.000 1.206 379 W CA 4.346 61.967 57.345 0.459 0.000 1.290 379 W CB 0.287 29.966 29.460 0.365 0.000 1.152 379 W HN -0.039 8.628 8.180 0.841 0.017 0.489 380 Y N -1.119 119.434 120.300 0.421 0.000 2.128 380 Y HA -0.588 nan 4.550 nan 0.000 0.284 380 Y C 1.443 177.292 175.900 -0.086 0.000 1.154 380 Y CA 4.252 62.457 58.100 0.174 0.000 1.149 380 Y CB -0.117 38.535 38.460 0.321 0.000 0.976 380 Y HN 0.222 9.398 8.280 0.811 -0.409 0.505 381 D N -5.078 115.190 120.400 -0.220 0.000 2.350 381 D HA -0.296 nan 4.640 nan 0.000 0.216 381 D C 0.250 176.287 176.300 -0.438 0.000 0.968 381 D CA 2.470 56.262 54.000 -0.348 0.000 0.894 381 D CB -0.276 40.470 40.800 -0.090 0.000 0.909 381 D HN 0.221 8.641 8.370 0.084 0.000 0.520 382 H N -1.347 117.346 119.070 -0.628 0.000 2.356 382 H HA 0.020 nan 4.556 nan 0.000 0.306 382 H C 1.526 176.231 175.328 -1.040 0.000 1.142 382 H CA 2.767 58.319 56.048 -0.827 0.000 1.673 382 H CB 1.875 31.020 29.762 -1.029 0.000 1.505 382 H HN -0.706 7.294 8.280 -0.394 0.043 0.638 383 Y N -1.830 117.853 120.300 -1.029 0.000 2.242 383 Y HA -0.263 nan 4.550 nan 0.000 0.291 383 Y C 2.467 177.508 175.900 -1.431 0.000 1.137 383 Y CA 3.213 60.476 58.100 -1.394 0.000 1.181 383 Y CB -0.287 37.323 38.460 -1.417 0.000 0.989 383 Y HN -0.089 7.605 8.280 -0.976 0.000 0.527 384 G N -0.982 107.105 108.800 -1.188 0.000 2.446 384 G HA2 -0.435 nan 3.960 nan 0.000 0.217 384 G HA3 -0.435 nan 3.960 nan 0.000 0.217 384 G C 1.350 175.862 174.900 -0.646 0.000 1.168 384 G CA 2.067 46.744 45.100 -0.705 0.000 0.771 384 G HN -0.346 7.214 8.290 -1.217 0.000 0.551 385 K N 2.356 122.227 120.400 -0.882 0.000 2.057 385 K HA -0.247 nan 4.320 nan 0.000 0.207 385 K C 2.482 178.678 176.600 -0.673 0.000 1.049 385 K CA 2.554 58.443 56.287 -0.663 0.000 0.931 385 K CB -0.326 31.810 32.500 -0.607 0.000 0.714 385 K HN -0.438 7.199 8.250 -1.021 0.000 0.440 386 I N 0.394 120.365 120.570 -1.000 0.000 2.179 386 I HA -0.529 nan 4.170 nan 0.000 0.242 386 I C 1.887 177.149 176.117 -1.426 0.000 1.088 386 I CA 4.211 64.651 61.300 -1.433 0.000 1.357 386 I CB -0.077 36.775 38.000 -1.913 0.000 1.051 386 I HN -0.610 6.883 8.210 -1.077 0.071 0.409 387 Y N -1.546 118.212 120.300 -0.905 0.000 2.224 387 Y HA -0.484 nan 4.550 nan 0.000 0.289 387 Y C 2.577 178.335 175.900 -0.237 0.000 1.146 387 Y CA 2.184 59.978 58.100 -0.510 0.000 1.182 387 Y CB -1.293 37.013 38.460 -0.257 0.000 0.983 387 Y HN 0.324 7.907 8.280 -1.161 0.000 0.524 388 E N -1.166 118.981 120.200 -0.088 0.000 2.072 388 E HA -0.419 nan 4.350 nan 0.000 0.191 388 E C 2.263 178.848 176.600 -0.025 0.000 0.985 388 E CA 3.215 59.615 56.400 0.000 0.000 0.801 388 E CB -0.379 29.332 29.700 0.019 0.000 0.750 388 E HN -0.002 8.237 8.360 -0.202 0.000 0.452 389 E N 0.682 120.790 120.200 -0.153 0.000 2.077 389 E HA -0.307 nan 4.350 nan 0.000 0.193 389 E C 2.376 179.025 176.600 0.081 0.000 0.989 389 E CA 3.067 59.420 56.400 -0.078 0.000 0.800 389 E CB -0.013 29.601 29.700 -0.142 0.000 0.746 389 E HN -0.120 7.984 8.360 -0.306 0.072 0.452 390 W N -1.757 119.489 121.300 -0.091 0.000 2.358 390 W HA -0.244 nan 4.660 nan 0.000 0.303 390 W C 2.507 179.115 176.519 0.148 0.000 1.208 390 W CA 1.857 59.259 57.345 0.096 0.000 1.274 390 W CB -0.718 28.876 29.460 0.223 0.000 1.138 390 W HN 0.288 8.374 8.180 -0.157 0.000 0.515 391 R N -0.593 120.111 120.500 0.341 0.000 2.081 391 R HA -0.400 nan 4.340 nan 0.000 0.235 391 R C 2.761 179.163 176.300 0.169 0.000 1.131 391 R CA 3.342 59.594 56.100 0.252 0.000 0.960 391 R CB -0.223 30.190 30.300 0.187 0.000 0.856 391 R HN 0.195 8.638 8.270 0.289 0.000 0.436 392 A N -0.070 122.816 122.820 0.110 0.000 1.933 392 A HA -0.147 nan 4.320 nan 0.000 0.218 392 A C 1.566 179.161 177.584 0.017 0.000 1.175 392 A CA 2.460 54.529 52.037 0.055 0.000 0.628 392 A CB -0.656 18.362 19.000 0.030 0.000 0.814 392 A HN 0.028 8.162 8.150 0.110 0.081 0.444 393 R N -3.490 116.985 120.500 -0.042 0.000 2.323 393 R HA -0.049 nan 4.340 nan 0.000 0.198 393 R C -0.088 176.200 176.300 -0.019 0.000 0.988 393 R CA -0.052 55.918 56.100 -0.217 0.000 1.041 393 R CB 0.115 29.912 30.300 -0.838 0.000 0.926 393 R HN -0.078 8.084 8.270 -0.002 0.107 0.476 394 G N -2.254 106.637 108.800 0.151 0.000 2.149 394 G HA2 -0.339 nan 3.960 nan 0.000 0.235 394 G HA3 -0.339 nan 3.960 nan 0.000 0.235 394 G C 0.830 176.013 174.900 0.471 0.000 1.018 394 G CA -0.046 45.209 45.100 0.259 0.000 0.728 394 G HN -0.181 7.985 8.290 0.142 0.208 0.508 395 C N -2.845 116.807 119.300 0.585 0.000 2.409 395 C HA -0.254 nan 4.460 nan 0.000 0.284 395 C C 0.660 175.955 174.990 0.508 0.000 1.354 395 C CA 1.466 60.872 59.018 0.648 0.000 1.787 395 C CB -1.185 26.947 27.740 0.653 0.000 1.900 395 C HN -0.248 8.289 8.230 0.511 0.000 0.520 396 E N -1.918 118.555 120.200 0.455 0.000 2.385 396 E HA -0.073 nan 4.350 nan 0.000 0.194 396 E C -0.339 176.624 176.600 0.605 0.000 1.013 396 E CA 0.609 57.278 56.400 0.448 0.000 0.866 396 E CB 0.221 30.084 29.700 0.271 0.000 0.832 396 E HN -0.099 8.466 8.360 0.401 0.036 0.500 397 D N 1.131 121.807 120.400 0.461 0.000 2.313 397 D HA 0.360 nan 4.640 nan 0.000 0.239 397 D C -1.307 174.894 176.300 -0.165 0.000 1.142 397 D CA -3.155 50.949 54.000 0.172 0.000 0.847 397 D CB 0.812 41.669 40.800 0.096 0.000 1.082 397 D HN -0.468 8.003 8.370 0.467 0.179 0.480 398 P HA -0.110 nan 4.420 nan 0.000 0.223 398 P C -0.217 176.624 177.300 -0.765 0.000 1.144 398 P CA 1.563 63.732 63.100 -1.552 0.000 0.783 398 P CB 0.192 31.280 31.700 -1.019 0.000 0.771 399 S N -4.382 111.097 115.700 -0.368 0.000 2.556 399 S HA 0.024 nan 4.470 nan 0.000 0.216 399 S C 1.172 175.724 174.600 -0.079 0.000 0.970 399 S CA 0.544 58.632 58.200 -0.187 0.000 0.912 399 S CB 0.425 63.553 63.200 -0.120 0.000 0.790 399 S HN -0.097 8.358 8.310 -0.296 -0.322 0.504 400 S N 2.508 118.190 115.700 -0.030 0.000 2.387 400 S HA -0.055 nan 4.470 nan 0.000 0.226 400 S C 0.908 175.607 174.600 0.165 0.000 1.026 400 S CA 1.357 59.629 58.200 0.119 0.000 0.972 400 S CB 0.414 63.777 63.200 0.273 0.000 0.814 400 S HN -0.182 7.897 8.310 -0.103 0.169 0.477 401 G N 1.303 110.206 108.800 0.172 0.000 2.143 401 G HA2 -0.214 nan 3.960 nan 0.000 0.248 401 G HA3 -0.214 nan 3.960 nan 0.000 0.248 401 G C -1.179 173.906 174.900 0.308 0.000 0.991 401 G CA -0.019 45.194 45.100 0.187 0.000 0.689 401 G HN 0.099 8.457 8.290 0.114 0.000 0.522 402 F N 0.282 120.385 119.950 0.255 0.000 2.507 402 F HA 0.272 nan 4.527 nan 0.000 0.325 402 F C -2.603 173.335 175.800 0.229 0.000 1.116 402 F CA -1.382 56.743 58.000 0.208 0.000 0.930 402 F CB 2.544 41.654 39.000 0.183 0.000 1.146 402 F HN -0.484 8.118 8.300 0.560 0.035 0.447 403 I N 6.248 126.322 120.570 -0.827 0.000 2.498 403 I HA 0.402 nan 4.170 nan 0.000 0.290 403 I C -1.734 173.583 176.117 -1.333 0.000 1.032 403 I CA -4.433 56.367 61.300 -0.833 0.000 1.073 403 I CB 3.229 40.880 38.000 -0.581 0.000 1.251 403 I HN -0.411 7.337 8.210 -0.771 0.000 0.426 404 P HA -0.176 nan 4.420 nan 0.000 0.220 404 P C 0.613 177.671 177.300 -0.403 0.000 1.144 404 P CA 2.448 64.879 63.100 -1.114 0.000 0.800 404 P CB -0.173 30.617 31.700 -1.516 0.000 0.772 405 L N -2.255 118.750 121.223 -0.362 0.000 2.079 405 L HA -0.352 nan 4.340 nan 0.000 0.210 405 L C 1.455 178.326 176.870 0.002 0.000 1.081 405 L CA 3.093 57.846 54.840 -0.146 0.000 0.752 405 L CB -0.427 41.458 42.059 -0.290 0.000 0.896 405 L HN -0.672 7.212 8.230 -0.522 0.033 0.433 406 M N -2.608 116.925 119.600 -0.113 0.000 2.159 406 M HA -0.441 nan 4.480 nan 0.000 0.263 406 M C 1.906 178.343 176.300 0.228 0.000 1.063 406 M CA 4.106 59.420 55.300 0.025 0.000 1.110 406 M CB -0.409 32.204 32.600 0.022 0.000 1.374 406 M HN -0.015 7.961 8.290 -0.323 0.120 0.411 407 W N 0.495 121.888 121.300 0.155 0.000 2.381 407 W HA -0.414 nan 4.660 nan 0.000 0.301 407 W C 1.739 178.329 176.519 0.118 0.000 1.205 407 W CA 4.172 61.654 57.345 0.228 0.000 1.285 407 W CB -0.038 29.658 29.460 0.393 0.000 1.133 407 W HN -0.347 7.903 8.180 0.344 0.137 0.521 408 F N -1.612 118.568 119.950 0.382 0.000 2.134 408 F HA -0.507 nan 4.527 nan 0.000 0.299 408 F C 2.198 177.955 175.800 -0.072 0.000 1.097 408 F CA 4.986 63.098 58.000 0.186 0.000 1.264 408 F CB -0.207 38.911 39.000 0.196 0.000 1.001 408 F HN -0.631 8.152 8.300 0.806 0.000 0.479 409 I N -1.394 119.238 120.570 0.103 0.000 2.252 409 I HA -0.583 nan 4.170 nan 0.000 0.245 409 I C 2.556 178.602 176.117 -0.119 0.000 1.102 409 I CA 3.963 65.239 61.300 -0.040 0.000 1.385 409 I CB -0.342 37.628 38.000 -0.051 0.000 1.064 409 I HN -0.303 8.014 8.210 0.179 0.000 0.414 410 E N 0.009 120.133 120.200 -0.126 0.000 2.110 410 E HA -0.283 nan 4.350 nan 0.000 0.193 410 E C 1.466 177.869 176.600 -0.328 0.000 0.988 410 E CA 2.821 59.108 56.400 -0.188 0.000 0.804 410 E CB -0.067 29.548 29.700 -0.143 0.000 0.745 410 E HN 0.067 8.395 8.360 -0.054 0.000 0.458 411 N N -2.903 115.491 118.700 -0.509 0.000 2.276 411 N HA 0.060 nan 4.740 nan 0.000 0.212 411 N C -1.104 173.965 175.510 -0.736 0.000 1.127 411 N CA -0.212 52.430 53.050 -0.681 0.000 0.834 411 N CB 0.125 37.979 38.487 -1.055 0.000 1.014 411 N HN -0.392 7.583 8.380 -0.502 0.103 0.491 412 N N -1.444 116.976 118.700 -0.467 0.000 2.714 412 N HA -0.453 nan 4.740 nan 0.000 0.253 412 N C -1.730 173.532 175.510 -0.412 0.000 1.024 412 N CA 1.752 54.572 53.050 -0.384 0.000 0.726 412 N CB -1.149 37.134 38.487 -0.340 0.000 0.908 412 N HN -0.493 7.594 8.380 -0.351 0.082 0.542 413 H N -0.761 118.256 119.070 -0.089 0.000 2.645 413 H HA 0.288 nan 4.556 nan 0.000 0.257 413 H C -2.419 172.933 175.328 0.040 0.000 1.269 413 H CA -2.883 53.180 56.048 0.024 0.000 1.409 413 H CB 0.841 30.664 29.762 0.101 0.000 1.434 413 H HN -0.161 8.073 8.280 -0.076 0.000 0.505 414 P HA 0.007 nan 4.420 nan 0.000 0.268 414 P C -1.399 175.587 177.300 -0.522 0.000 1.205 414 P CA -0.213 62.661 63.100 -0.377 0.000 0.771 414 P CB 0.802 32.169 31.700 -0.555 0.000 0.858 415 I N 1.966 122.153 120.570 -0.640 0.000 2.354 415 I HA 0.160 nan 4.170 nan 0.000 0.292 415 I C -0.903 174.824 176.117 -0.651 0.000 0.989 415 I CA -0.488 60.501 61.300 -0.517 0.000 1.188 415 I CB 1.475 39.279 38.000 -0.327 0.000 1.342 415 I HN -0.000 7.813 8.210 -0.661 0.000 0.457 416 Y N 4.716 124.789 120.300 -0.377 0.000 2.587 416 Y HA 0.203 nan 4.550 nan 0.000 0.337 416 Y C -1.447 174.425 175.900 -0.047 0.000 1.065 416 Y CA -2.275 55.634 58.100 -0.319 0.000 1.126 416 Y CB 3.552 41.579 38.460 -0.722 0.000 1.279 416 Y HN 0.841 8.804 8.280 -0.529 0.000 0.489 417 I N -0.100 120.671 120.570 0.335 0.000 2.389 417 I HA 0.209 nan 4.170 nan 0.000 0.288 417 I C -1.290 175.025 176.117 0.329 0.000 0.999 417 I CA -2.203 59.281 61.300 0.306 0.000 1.129 417 I CB 0.968 39.043 38.000 0.125 0.000 1.288 417 I HN 0.204 8.619 8.210 0.342 0.000 0.444 418 D N 6.294 126.913 120.400 0.364 0.000 2.450 418 D HA -0.153 nan 4.640 nan 0.000 0.247 418 D C 0.930 177.247 176.300 0.028 0.000 1.162 418 D CA 0.802 54.881 54.000 0.131 0.000 0.879 418 D CB 1.685 42.496 40.800 0.019 0.000 1.163 418 D HN -0.190 8.430 8.370 0.417 0.000 0.472 419 R N 7.569 127.997 120.500 -0.121 0.000 2.127 419 R HA -0.268 nan 4.340 nan 0.000 0.238 419 R C 0.403 176.762 176.300 0.098 0.000 1.134 419 R CA 2.387 58.454 56.100 -0.056 0.000 0.975 419 R CB -0.036 30.117 30.300 -0.245 0.000 0.865 419 R HN 0.130 8.202 8.270 -0.330 0.000 0.447 420 V N -4.540 115.422 119.914 0.080 0.000 2.326 420 V HA -0.098 nan 4.120 nan 0.000 0.238 420 V C 0.867 176.980 176.094 0.031 0.000 1.038 420 V CA 2.151 64.427 62.300 -0.039 0.000 1.032 420 V CB 0.166 31.870 31.823 -0.199 0.000 0.675 420 V HN -0.738 7.684 8.190 0.089 -0.179 0.467 421 S N -3.094 112.631 115.700 0.043 0.000 2.496 421 S HA -0.117 nan 4.470 nan 0.000 0.224 421 S C 0.972 175.581 174.600 0.015 0.000 0.996 421 S CA 1.213 59.431 58.200 0.030 0.000 0.927 421 S CB 1.508 64.732 63.200 0.040 0.000 0.774 421 S HN -0.283 8.368 8.310 0.060 -0.304 0.524 422 Q N -3.735 116.086 119.800 0.036 0.000 2.324 422 Q HA -0.287 nan 4.340 nan 0.000 0.200 422 Q C -0.348 175.698 176.000 0.076 0.000 0.645 422 Q CA 0.854 56.673 55.803 0.027 0.000 1.377 422 Q CB -2.077 26.632 28.738 -0.049 0.000 1.486 422 Q HN -0.188 7.980 8.270 0.050 0.132 0.796 423 V N 2.894 122.869 119.914 0.103 0.000 2.521 423 V HA 0.031 nan 4.120 nan 0.000 0.286 423 V C -1.895 174.338 176.094 0.232 0.000 1.034 423 V CA -0.953 61.424 62.300 0.128 0.000 1.045 423 V CB -0.581 31.284 31.823 0.069 0.000 0.974 423 V HN -0.618 7.547 8.190 0.080 0.074 0.480 424 P HA 0.525 nan 4.420 nan 0.000 0.275 424 P C -2.005 175.530 177.300 0.392 0.000 1.227 424 P CA 0.072 63.336 63.100 0.272 0.000 0.781 424 P CB 0.293 32.077 31.700 0.141 0.000 0.906 425 F N -0.727 119.313 119.950 0.150 0.000 2.619 425 F HA 0.307 nan 4.527 nan 0.000 0.308 425 F C -2.532 173.386 175.800 0.197 0.000 1.097 425 F CA -2.016 56.086 58.000 0.169 0.000 0.953 425 F CB 2.849 41.956 39.000 0.177 0.000 1.287 425 F HN 0.888 9.328 8.300 0.232 0.000 0.446 426 C N 3.027 122.444 119.300 0.195 0.000 2.816 426 C HA 0.437 nan 4.460 nan 0.000 0.255 426 C C -0.853 174.269 174.990 0.220 0.000 1.141 426 C CA -3.701 55.392 59.018 0.125 0.000 1.554 426 C CB -0.254 27.617 27.740 0.219 0.000 1.778 426 C HN 0.863 9.283 8.230 0.317 0.000 0.429 427 P HA -0.155 nan 4.420 nan 0.000 0.216 427 P C -0.319 177.105 177.300 0.206 0.000 1.150 427 P CA 2.363 65.643 63.100 0.299 0.000 0.843 427 P CB -0.259 31.661 31.700 0.367 0.000 0.787 428 S N -4.162 111.664 115.700 0.210 0.000 2.453 428 S HA -0.143 nan 4.470 nan 0.000 0.231 428 S C 0.895 175.562 174.600 0.112 0.000 1.005 428 S CA 1.523 59.851 58.200 0.213 0.000 0.949 428 S CB 0.078 63.474 63.200 0.328 0.000 0.774 428 S HN -0.067 8.382 8.310 0.231 0.000 0.510 429 L N 1.510 122.714 121.223 -0.030 0.000 2.537 429 L HA 0.117 nan 4.340 nan 0.000 0.224 429 L C -0.583 176.253 176.870 -0.057 0.000 1.065 429 L CA -0.543 54.169 54.840 -0.214 0.000 0.860 429 L CB 1.574 43.375 42.059 -0.430 0.000 1.086 429 L HN -0.746 7.489 8.230 0.064 0.033 0.482 430 A N -0.045 122.787 122.820 0.021 0.000 2.587 430 A HA -0.219 nan 4.320 nan 0.000 0.235 430 A C -0.328 177.147 177.584 -0.182 0.000 1.044 430 A CA 1.180 53.222 52.037 0.008 0.000 0.754 430 A CB 0.372 19.457 19.000 0.143 0.000 0.968 430 A HN -0.446 7.753 8.150 0.083 0.000 0.509 431 K N 3.697 123.884 120.400 -0.355 0.000 2.243 431 K HA -0.040 nan 4.320 nan 0.000 0.201 431 K C 0.260 176.744 176.600 -0.194 0.000 1.051 431 K CA 1.001 56.913 56.287 -0.626 0.000 0.970 431 K CB 0.501 32.241 32.500 -1.267 0.000 0.755 431 K HN 0.025 8.523 8.250 -0.240 -0.391 0.465 432 G N -1.684 107.194 108.800 0.130 0.000 3.137 432 G HA2 -0.001 nan 3.960 nan 0.000 0.163 432 G HA3 -0.001 nan 3.960 nan 0.000 0.163 432 G C -1.114 173.916 174.900 0.216 0.000 1.602 432 G CA -1.270 44.023 45.100 0.322 0.000 1.067 432 G HN -0.556 8.080 8.290 0.134 -0.265 0.568 433 A N 0.713 123.672 122.820 0.233 0.000 2.540 433 A HA -0.018 nan 4.320 nan 0.000 0.239 433 A C 0.126 177.830 177.584 0.200 0.000 1.061 433 A CA 0.867 53.027 52.037 0.204 0.000 0.758 433 A CB 0.495 19.620 19.000 0.209 0.000 0.991 433 A HN 0.263 8.567 8.150 0.257 0.000 0.502 434 S N -0.489 115.315 115.700 0.174 0.000 2.629 434 S HA 0.075 nan 4.470 nan 0.000 0.236 434 S C -0.150 174.565 174.600 0.192 0.000 1.010 434 S CA -0.559 57.752 58.200 0.185 0.000 0.981 434 S CB 0.471 63.750 63.200 0.132 0.000 0.919 434 S HN -0.024 8.378 8.310 0.153 0.000 0.514 435 T N 5.180 119.833 114.554 0.165 0.000 2.940 435 T HA -0.084 nan 4.350 nan 0.000 0.309 435 T C -1.708 173.101 174.700 0.181 0.000 1.056 435 T CA 1.826 64.000 62.100 0.124 0.000 1.137 435 T CB 0.407 69.318 68.868 0.071 0.000 0.976 435 T HN -0.005 8.275 8.240 0.158 0.055 0.547 436 L N 4.084 125.384 121.223 0.128 0.000 2.596 436 L HA 0.256 nan 4.340 nan 0.000 0.265 436 L C -1.707 175.143 176.870 -0.033 0.000 0.962 436 L CA 0.004 54.915 54.840 0.119 0.000 0.891 436 L CB 2.155 44.285 42.059 0.117 0.000 1.248 436 L HN -0.089 8.188 8.230 0.079 0.000 0.410 437 R N 6.182 126.635 120.500 -0.078 0.000 2.439 437 R HA 0.377 nan 4.340 nan 0.000 0.310 437 R C -2.041 174.064 176.300 -0.324 0.000 0.955 437 R CA -1.096 54.888 56.100 -0.192 0.000 0.853 437 R CB 2.544 32.746 30.300 -0.164 0.000 1.171 437 R HN 0.120 8.381 8.270 -0.016 0.000 0.449 438 V N 3.900 123.533 119.914 -0.469 0.000 2.487 438 V HA 0.534 nan 4.120 nan 0.000 0.298 438 V C -1.086 174.785 176.094 -0.371 0.000 1.028 438 V CA -1.186 60.801 62.300 -0.521 0.000 0.860 438 V CB 1.137 32.489 31.823 -0.785 0.000 0.991 438 V HN 0.327 8.270 8.190 -0.412 0.000 0.427 439 H N 6.342 125.356 119.070 -0.094 0.000 2.622 439 H HA 0.426 nan 4.556 nan 0.000 0.363 439 H C -1.905 173.434 175.328 0.018 0.000 1.151 439 H CA -1.855 54.189 56.048 -0.006 0.000 1.184 439 H CB 4.419 34.209 29.762 0.047 0.000 1.643 439 H HN 0.701 8.859 8.280 -0.203 0.000 0.531 440 E N 2.308 122.649 120.200 0.235 0.000 2.171 440 E HA 0.369 nan 4.350 nan 0.000 0.271 440 E C -1.684 175.134 176.600 0.363 0.000 0.916 440 E CA -1.169 55.352 56.400 0.203 0.000 0.774 440 E CB 1.971 31.741 29.700 0.116 0.000 1.128 440 E HN 0.295 8.801 8.360 0.244 0.000 0.403 441 Y N 7.888 128.348 120.300 0.266 0.000 2.361 441 Y HA 0.180 nan 4.550 nan 0.000 0.328 441 Y C -1.223 174.834 175.900 0.261 0.000 1.044 441 Y CA -0.020 58.270 58.100 0.318 0.000 1.085 441 Y CB 2.791 41.591 38.460 0.566 0.000 1.194 441 Y HN 0.961 9.486 8.280 0.408 0.000 0.438 442 N N 8.486 127.033 118.700 -0.255 0.000 2.707 442 N HA -0.397 nan 4.740 nan 0.000 0.253 442 N C 0.009 175.515 175.510 -0.007 0.000 0.998 442 N CA 0.623 53.554 53.050 -0.197 0.000 0.751 442 N CB -0.653 37.647 38.487 -0.311 0.000 0.920 442 N HN 0.777 8.937 8.380 -0.367 0.000 0.539 443 G N -6.117 102.698 108.800 0.025 0.000 2.176 443 G HA2 -0.430 nan 3.960 nan 0.000 0.253 443 G HA3 -0.430 nan 3.960 nan 0.000 0.253 443 G C -1.295 173.631 174.900 0.043 0.000 0.979 443 G CA -0.162 44.958 45.100 0.034 0.000 0.641 443 G HN 0.027 8.324 8.290 0.023 0.007 0.530 444 E N 0.485 120.729 120.200 0.074 0.000 2.266 444 E HA 0.339 nan 4.350 nan 0.000 0.268 444 E C -1.640 174.855 176.600 -0.175 0.000 0.879 444 E CA -1.920 54.461 56.400 -0.031 0.000 0.762 444 E CB 2.758 32.462 29.700 0.006 0.000 1.199 444 E HN -0.242 8.040 8.360 0.148 0.166 0.422 445 M N 2.758 122.175 119.600 -0.305 0.000 2.367 445 M HA 0.551 nan 4.480 nan 0.000 0.339 445 M C -0.899 174.957 176.300 -0.740 0.000 1.177 445 M CA -0.277 54.807 55.300 -0.360 0.000 1.068 445 M CB 2.760 35.248 32.600 -0.187 0.000 1.602 445 M HN 0.475 8.624 8.290 -0.235 0.000 0.457 446 H N 1.052 119.932 119.070 -0.316 0.000 2.679 446 H HA 0.440 nan 4.556 nan 0.000 0.360 446 H C -1.667 173.145 175.328 -0.861 0.000 1.105 446 H CA -0.989 54.678 56.048 -0.635 0.000 1.196 446 H CB 3.780 32.995 29.762 -0.913 0.000 1.636 446 H HN 0.715 8.818 8.280 -0.296 0.000 0.531 447 T N 4.853 118.899 114.554 -0.846 0.000 2.792 447 T HA 0.643 nan 4.350 nan 0.000 0.280 447 T C -1.775 172.425 174.700 -0.833 0.000 0.990 447 T CA -0.284 61.400 62.100 -0.693 0.000 0.960 447 T CB 1.227 69.881 68.868 -0.356 0.000 0.939 447 T HN 0.557 8.380 8.240 -0.694 0.000 0.439 448 F N 4.339 124.210 119.950 -0.131 0.000 2.546 448 F HA 0.574 nan 4.527 nan 0.000 0.320 448 F C -0.114 175.524 175.800 -0.270 0.000 1.076 448 F CA -2.372 55.526 58.000 -0.171 0.000 0.928 448 F CB 3.433 42.313 39.000 -0.201 0.000 1.189 448 F HN 0.900 9.066 8.300 -0.224 0.000 0.465 449 S N -0.982 114.519 115.700 -0.332 0.000 2.559 449 S HA 0.064 nan 4.470 nan 0.000 0.226 449 S C -1.286 173.224 174.600 -0.150 0.000 1.000 449 S CA -0.475 57.354 58.200 -0.618 0.000 0.948 449 S CB 1.512 63.935 63.200 -1.294 0.000 0.870 449 S HN 0.312 8.651 8.310 -0.173 -0.133 0.497 450 D N -3.276 117.116 120.400 -0.014 0.000 2.648 450 D HA 0.076 nan 4.640 nan 0.000 0.244 450 D C -0.299 175.928 176.300 -0.121 0.000 1.244 450 D CA -0.464 53.553 54.000 0.028 0.000 0.772 450 D CB 1.818 42.782 40.800 0.273 0.000 1.379 450 D HN -0.981 7.397 8.370 0.013 0.000 0.428 451 Q N 1.782 121.400 119.800 -0.303 0.000 2.124 451 Q HA -0.267 nan 4.340 nan 0.000 0.202 451 Q C 1.570 177.165 176.000 -0.676 0.000 0.977 451 Q CA 3.202 58.682 55.803 -0.538 0.000 0.850 451 Q CB 0.141 28.429 28.738 -0.750 0.000 0.901 451 Q HN 0.466 8.583 8.270 -0.255 0.000 0.429 452 W N -1.653 119.375 121.300 -0.454 0.000 2.407 452 W HA -0.182 nan 4.660 nan 0.000 0.305 452 W C 2.273 178.628 176.519 -0.274 0.000 1.196 452 W CA 1.977 59.018 57.345 -0.507 0.000 1.311 452 W CB -0.190 28.581 29.460 -1.149 0.000 1.135 452 W HN -0.407 7.398 8.180 -0.774 -0.089 0.514 453 G N -2.261 106.546 108.800 0.013 0.000 2.422 453 G HA2 -0.376 nan 3.960 nan 0.000 0.218 453 G HA3 -0.376 nan 3.960 nan 0.000 0.218 453 G C 0.535 175.374 174.900 -0.101 0.000 1.140 453 G CA 1.612 46.746 45.100 0.057 0.000 0.775 453 G HN 0.424 9.141 8.290 0.025 -0.413 0.545 454 E N 1.998 122.047 120.200 -0.252 0.000 2.077 454 E HA -0.352 nan 4.350 nan 0.000 0.193 454 E C 1.619 178.013 176.600 -0.343 0.000 0.989 454 E CA 3.047 59.093 56.400 -0.590 0.000 0.800 454 E CB -0.122 29.277 29.700 -0.501 0.000 0.746 454 E HN -0.363 7.868 8.360 -0.198 0.010 0.452 455 R N -1.066 119.303 120.500 -0.219 0.000 2.092 455 R HA -0.275 nan 4.340 nan 0.000 0.231 455 R C 2.497 178.761 176.300 -0.060 0.000 1.119 455 R CA 3.154 59.175 56.100 -0.131 0.000 0.970 455 R CB -0.250 29.982 30.300 -0.113 0.000 0.864 455 R HN -0.653 7.473 8.270 -0.240 0.000 0.440 456 M N -1.069 118.515 119.600 -0.026 0.000 2.080 456 M HA -0.453 nan 4.480 nan 0.000 0.260 456 M C 2.207 178.543 176.300 0.059 0.000 1.068 456 M CA 3.968 59.292 55.300 0.039 0.000 1.109 456 M CB -0.223 32.363 32.600 -0.024 0.000 1.342 456 M HN -0.451 7.735 8.290 -0.045 0.077 0.405 457 W N -1.032 120.166 121.300 -0.171 0.000 2.379 457 W HA -0.328 nan 4.660 nan 0.000 0.307 457 W C 1.132 177.572 176.519 -0.131 0.000 1.200 457 W CA 3.499 60.801 57.345 -0.071 0.000 1.297 457 W CB 0.073 29.504 29.460 -0.048 0.000 1.140 457 W HN -0.469 7.723 8.180 0.019 0.000 0.507 458 L N -2.947 118.255 121.223 -0.035 0.000 2.042 458 L HA -0.415 nan 4.340 nan 0.000 0.210 458 L C 1.851 178.513 176.870 -0.348 0.000 1.076 458 L CA 2.183 56.889 54.840 -0.223 0.000 0.749 458 L CB -0.017 41.992 42.059 -0.083 0.000 0.893 458 L HN -0.279 7.987 8.230 0.061 0.000 0.432 459 A N -2.962 119.735 122.820 -0.205 0.000 2.016 459 A HA -0.093 nan 4.320 nan 0.000 0.217 459 A C 0.329 177.810 177.584 -0.171 0.000 1.162 459 A CA 1.786 53.731 52.037 -0.153 0.000 0.662 459 A CB 0.782 19.745 19.000 -0.061 0.000 0.812 459 A HN -0.054 8.014 8.150 -0.136 0.000 0.450 460 E N -4.056 116.032 120.200 -0.186 0.000 4.129 460 E HA 0.321 nan 4.350 nan 0.000 0.222 460 E C -2.087 174.355 176.600 -0.264 0.000 1.179 460 E CA -3.324 52.984 56.400 -0.154 0.000 1.334 460 E CB -0.142 29.565 29.700 0.011 0.000 1.202 460 E HN -0.393 7.756 8.360 -0.188 0.098 0.428 461 P HA -0.248 nan 4.420 nan 0.000 0.218 461 P C 0.564 177.672 177.300 -0.321 0.000 1.148 461 P CA 2.552 65.100 63.100 -0.920 0.000 0.822 461 P CB -0.266 30.699 31.700 -1.224 0.000 0.784 462 E N -1.623 118.448 120.200 -0.216 0.000 2.418 462 E HA -0.188 nan 4.350 nan 0.000 0.197 462 E C 0.573 177.088 176.600 -0.142 0.000 1.026 462 E CA 1.691 58.024 56.400 -0.111 0.000 0.862 462 E CB -1.817 27.831 29.700 -0.087 0.000 0.799 462 E HN 0.504 8.684 8.360 -0.255 0.026 0.518 463 R N -2.158 118.191 120.500 -0.253 0.000 2.246 463 R HA -0.062 nan 4.340 nan 0.000 0.199 463 R C 0.477 176.375 176.300 -0.670 0.000 0.984 463 R CA 0.840 56.644 56.100 -0.494 0.000 1.015 463 R CB 0.949 30.803 30.300 -0.743 0.000 0.930 463 R HN -0.470 7.498 8.270 -0.235 0.161 0.475 464 Y N -0.775 119.560 120.300 0.059 0.000 2.787 464 Y HA 0.137 nan 4.550 nan 0.000 0.352 464 Y C -1.878 174.166 175.900 0.240 0.000 1.027 464 Y CA -1.175 57.026 58.100 0.170 0.000 1.219 464 Y CB -0.327 38.313 38.460 0.301 0.000 1.110 464 Y HN -0.644 7.454 8.280 -0.034 0.161 0.614 465 E N -0.309 120.041 120.200 0.250 0.000 2.693 465 E HA 0.078 nan 4.350 nan 0.000 0.214 465 E C -0.775 175.925 176.600 0.167 0.000 0.990 465 E CA -0.941 55.604 56.400 0.241 0.000 1.047 465 E CB 0.443 30.242 29.700 0.165 0.000 1.039 465 E HN 0.060 8.508 8.360 0.148 0.000 0.475 466 C N 2.217 121.606 119.300 0.149 0.000 2.638 466 C HA -0.051 nan 4.460 nan 0.000 0.410 466 C C 0.266 175.281 174.990 0.042 0.000 1.404 466 C CA 0.301 59.361 59.018 0.069 0.000 1.651 466 C CB -0.064 27.704 27.740 0.047 0.000 2.495 466 C HN 0.089 8.379 8.230 0.206 0.064 0.606 467 Q N 6.929 126.730 119.800 0.001 0.000 2.313 467 Q HA -0.057 nan 4.340 nan 0.000 0.266 467 Q C -1.155 174.784 176.000 -0.101 0.000 0.989 467 Q CA 0.768 56.550 55.803 -0.036 0.000 0.890 467 Q CB 0.919 29.628 28.738 -0.049 0.000 1.200 467 Q HN 0.254 8.522 8.270 -0.003 0.000 0.396 468 N N 1.905 120.532 118.700 -0.121 0.000 2.458 468 N HA 0.165 nan 4.740 nan 0.000 0.271 468 N C 1.382 176.651 175.510 -0.402 0.000 1.210 468 N CA -1.597 51.328 53.050 -0.208 0.000 0.978 468 N CB 1.356 39.769 38.487 -0.123 0.000 1.206 468 N HN 0.275 8.973 8.380 -0.082 -0.368 0.536 469 I N -4.592 115.595 120.570 -0.638 0.000 2.335 469 I HA -0.350 nan 4.170 nan 0.000 0.251 469 I C 1.431 176.942 176.117 -1.010 0.000 1.129 469 I CA 3.272 63.918 61.300 -1.091 0.000 1.402 469 I CB -0.031 37.295 38.000 -1.124 0.000 1.069 469 I HN 0.022 7.901 8.210 -0.552 0.000 0.424 470 F N -0.237 119.505 119.950 -0.348 0.000 2.259 470 F HA -0.285 nan 4.527 nan 0.000 0.298 470 F C 2.355 178.068 175.800 -0.145 0.000 1.088 470 F CA 2.446 60.336 58.000 -0.182 0.000 1.358 470 F CB -1.217 37.748 39.000 -0.060 0.000 1.040 470 F HN -0.333 7.672 8.300 -0.738 -0.147 0.505 471 E N -0.892 119.283 120.200 -0.043 0.000 2.046 471 E HA -0.308 nan 4.350 nan 0.000 0.190 471 E C 2.320 178.870 176.600 -0.082 0.000 0.982 471 E CA 2.541 58.919 56.400 -0.038 0.000 0.800 471 E CB -0.304 29.367 29.700 -0.047 0.000 0.756 471 E HN -0.273 8.187 8.360 -0.111 -0.167 0.449 472 Q N -0.686 118.984 119.800 -0.217 0.000 2.046 472 Q HA -0.186 nan 4.340 nan 0.000 0.200 472 Q C 1.929 177.919 176.000 -0.016 0.000 0.975 472 Q CA 2.351 58.049 55.803 -0.174 0.000 0.836 472 Q CB 0.203 28.749 28.738 -0.321 0.000 0.896 472 Q HN -0.045 8.030 8.270 -0.325 0.000 0.428 473 Y N -4.620 115.552 120.300 -0.213 0.000 2.490 473 Y HA 0.123 nan 4.550 nan 0.000 0.281 473 Y C -0.852 175.041 175.900 -0.012 0.000 1.174 473 Y CA -2.487 55.472 58.100 -0.236 0.000 1.295 473 Y CB -0.805 37.187 38.460 -0.779 0.000 1.062 473 Y HN 0.057 7.907 8.280 -0.529 0.113 0.522 474 E N 0.568 120.858 120.200 0.150 0.000 2.652 474 E HA -0.493 nan 4.350 nan 0.000 0.255 474 E C 0.928 177.617 176.600 0.147 0.000 0.952 474 E CA 1.650 58.151 56.400 0.167 0.000 0.947 474 E CB -0.160 29.601 29.700 0.101 0.000 0.912 474 E HN -0.606 7.627 8.360 0.071 0.169 0.489 475 G N 7.349 116.241 108.800 0.153 0.000 2.184 475 G HA2 -0.536 nan 3.960 nan 0.000 0.264 475 G HA3 -0.536 nan 3.960 nan 0.000 0.264 475 G C -0.876 174.085 174.900 0.102 0.000 0.975 475 G CA 0.230 45.389 45.100 0.100 0.000 0.642 475 G HN 0.668 9.067 8.290 0.182 0.000 0.536 476 R N 0.219 120.819 120.500 0.168 0.000 2.428 476 R HA 0.165 nan 4.340 nan 0.000 0.294 476 R C -1.352 175.034 176.300 0.144 0.000 1.000 476 R CA -1.281 54.900 56.100 0.134 0.000 0.960 476 R CB 1.268 31.636 30.300 0.114 0.000 1.076 476 R HN -0.128 8.219 8.270 0.244 0.070 0.475 477 E N 2.743 122.969 120.200 0.042 0.000 2.289 477 E HA 0.077 nan 4.350 nan 0.000 0.278 477 E C 0.657 177.245 176.600 -0.020 0.000 1.032 477 E CA -0.706 55.682 56.400 -0.019 0.000 0.854 477 E CB 0.981 30.657 29.700 -0.040 0.000 1.046 477 E HN 0.413 8.786 8.360 0.023 0.000 0.409 478 L N 6.663 127.831 121.223 -0.090 0.000 2.010 478 L HA -0.451 nan 4.340 nan 0.000 0.219 478 L C 1.344 178.159 176.870 -0.092 0.000 1.077 478 L CA 3.713 58.507 54.840 -0.078 0.000 0.773 478 L CB 0.029 41.940 42.059 -0.247 0.000 0.892 478 L HN 0.801 8.920 8.230 -0.184 0.000 0.436 479 S N -2.860 112.780 115.700 -0.100 0.000 2.399 479 S HA -0.382 nan 4.470 nan 0.000 0.231 479 S C 2.208 176.754 174.600 -0.090 0.000 1.022 479 S CA 2.880 61.027 58.200 -0.088 0.000 0.983 479 S CB -0.260 62.903 63.200 -0.062 0.000 0.803 479 S HN -0.154 8.516 8.310 -0.102 -0.421 0.480 480 E N 1.108 121.258 120.200 -0.083 0.000 2.106 480 E HA -0.236 nan 4.350 nan 0.000 0.192 480 E C 2.239 178.758 176.600 -0.134 0.000 0.984 480 E CA 2.733 59.080 56.400 -0.089 0.000 0.806 480 E CB -0.193 29.468 29.700 -0.065 0.000 0.750 480 E HN -0.452 7.966 8.360 -0.071 -0.101 0.458 481 V N 0.866 120.675 119.914 -0.175 0.000 2.307 481 V HA -0.312 nan 4.120 nan 0.000 0.245 481 V C 1.973 177.912 176.094 -0.258 0.000 1.045 481 V CA 3.922 66.040 62.300 -0.304 0.000 1.024 481 V CB -0.698 30.791 31.823 -0.556 0.000 0.651 481 V HN -0.736 7.281 8.190 -0.138 0.090 0.449 482 I N -1.253 119.197 120.570 -0.200 0.000 2.208 482 I HA -0.598 nan 4.170 nan 0.000 0.245 482 I C 1.581 177.614 176.117 -0.139 0.000 1.097 482 I CA 4.446 65.653 61.300 -0.155 0.000 1.363 482 I CB -0.686 37.238 38.000 -0.127 0.000 1.051 482 I HN -0.261 7.841 8.210 -0.180 0.000 0.413 483 A N -1.227 121.514 122.820 -0.132 0.000 1.858 483 A HA -0.347 nan 4.320 nan 0.000 0.216 483 A C 2.327 179.779 177.584 -0.220 0.000 1.190 483 A CA 3.270 55.229 52.037 -0.130 0.000 0.617 483 A CB -1.169 17.773 19.000 -0.096 0.000 0.827 483 A HN 0.120 8.195 8.150 -0.124 0.000 0.443 484 E N -0.372 119.694 120.200 -0.224 0.000 2.118 484 E HA -0.262 nan 4.350 nan 0.000 0.195 484 E C 1.634 177.959 176.600 -0.457 0.000 0.992 484 E CA 2.424 58.654 56.400 -0.284 0.000 0.804 484 E CB 0.222 29.811 29.700 -0.186 0.000 0.741 484 E HN -0.564 7.688 8.360 -0.181 0.000 0.458 485 L N -4.126 116.899 121.223 -0.330 0.000 2.653 485 L HA 0.062 nan 4.340 nan 0.000 0.232 485 L C -1.189 175.594 176.870 -0.145 0.000 1.169 485 L CA -0.515 54.182 54.840 -0.238 0.000 0.951 485 L CB -0.309 41.683 42.059 -0.112 0.000 1.181 485 L HN -0.690 7.377 8.230 -0.252 0.011 0.460 486 H N -5.124 113.919 119.070 -0.046 0.000 2.756 486 H HA -0.303 nan 4.556 nan 0.000 0.315 486 H C 0.379 175.687 175.328 -0.033 0.000 1.210 486 H CA 0.724 56.750 56.048 -0.037 0.000 1.150 486 H CB -3.121 26.620 29.762 -0.036 0.000 1.463 486 H HN -0.294 7.455 8.280 -0.550 0.201 0.427 487 G N -3.355 105.453 108.800 0.014 0.000 3.379 487 G HA2 -0.072 nan 3.960 nan 0.000 0.253 487 G HA3 -0.072 nan 3.960 nan 0.000 0.253 487 G C -2.363 172.549 174.900 0.021 0.000 1.262 487 G CA -0.112 44.995 45.100 0.012 0.000 0.959 487 G HN 0.209 8.473 8.290 -0.043 0.000 0.524 488 L N -2.006 119.240 121.223 0.038 0.000 2.313 488 L HA 0.690 nan 4.340 nan 0.000 0.268 488 L C -0.083 176.812 176.870 0.041 0.000 1.010 488 L CA -2.109 52.754 54.840 0.037 0.000 0.814 488 L CB 1.876 43.955 42.059 0.033 0.000 1.304 488 L HN -0.797 7.363 8.230 0.059 0.106 0.441 489 R N -0.620 119.902 120.500 0.037 0.000 2.652 489 R HA 0.144 nan 4.340 nan 0.000 0.272 489 R C 2.034 178.350 176.300 0.027 0.000 1.162 489 R CA -0.001 56.119 56.100 0.033 0.000 1.199 489 R CB 1.146 31.465 30.300 0.032 0.000 1.166 489 R HN 0.592 8.884 8.270 0.038 0.000 0.597 490 S N 0.290 116.002 115.700 0.021 0.000 2.442 490 S HA -0.296 nan 4.470 nan 0.000 0.236 490 S C 0.130 174.739 174.600 0.015 0.000 1.007 490 S CA 2.593 60.802 58.200 0.014 0.000 0.965 490 S CB -0.431 62.773 63.200 0.007 0.000 0.773 490 S HN 0.501 8.823 8.310 0.021 0.000 0.504 491 D N -1.499 118.912 120.400 0.018 0.000 2.371 491 D HA -0.081 nan 4.640 nan 0.000 0.221 491 D C 0.800 177.110 176.300 0.017 0.000 0.986 491 D CA -0.475 53.534 54.000 0.016 0.000 0.899 491 D CB -0.746 40.064 40.800 0.018 0.000 0.902 491 D HN -0.032 8.320 8.370 0.020 0.030 0.530 492 G N -0.911 107.902 108.800 0.022 0.000 2.155 492 G HA2 -0.440 nan 3.960 nan 0.000 0.257 492 G HA3 -0.440 nan 3.960 nan 0.000 0.257 492 G C -0.149 174.763 174.900 0.021 0.000 0.983 492 G CA 0.692 45.806 45.100 0.023 0.000 0.676 492 G HN -0.032 8.089 8.290 0.024 0.184 0.528 493 K N -2.342 118.072 120.400 0.024 0.000 2.485 493 K HA 0.328 nan 4.320 nan 0.000 0.200 493 K C -0.690 175.934 176.600 0.041 0.000 1.344 493 K CA 0.528 56.831 56.287 0.026 0.000 0.948 493 K CB 2.061 34.574 32.500 0.022 0.000 1.454 493 K HN 0.196 8.771 8.250 0.025 -0.310 0.502 494 T N 3.988 118.569 114.554 0.046 0.000 2.901 494 T HA 0.158 nan 4.350 nan 0.000 0.301 494 T C -0.254 174.487 174.700 0.067 0.000 1.012 494 T CA 1.567 63.706 62.100 0.065 0.000 1.135 494 T CB 0.148 69.049 68.868 0.056 0.000 0.936 494 T HN -0.394 8.345 8.240 0.038 -0.476 0.539 495 L N 4.274 125.556 121.223 0.098 0.000 2.452 495 L HA 0.151 nan 4.340 nan 0.000 0.267 495 L C 1.082 177.983 176.870 0.052 0.000 1.188 495 L CA 0.343 55.232 54.840 0.083 0.000 0.821 495 L CB -0.047 42.097 42.059 0.142 0.000 1.102 495 L HN 0.040 8.355 8.230 0.141 0.000 0.470 496 I N 1.671 122.259 120.570 0.029 0.000 2.233 496 I HA -0.344 nan 4.170 nan 0.000 0.243 496 I C 0.069 176.163 176.117 -0.038 0.000 1.093 496 I CA 3.594 64.901 61.300 0.011 0.000 1.380 496 I CB 0.106 38.126 38.000 0.034 0.000 1.067 496 I HN 0.126 8.351 8.210 0.026 0.000 0.413 497 A N -2.411 120.377 122.820 -0.054 0.000 2.407 497 A HA -0.089 nan 4.320 nan 0.000 0.248 497 A C -1.397 176.152 177.584 -0.057 0.000 1.082 497 A CA 0.088 52.057 52.037 -0.113 0.000 0.785 497 A CB 0.459 19.382 19.000 -0.128 0.000 1.020 497 A HN -0.113 8.021 8.150 -0.027 0.000 0.489 498 Q N -1.553 118.047 119.800 -0.333 0.000 2.418 498 Q HA 0.434 nan 4.340 nan 0.000 0.282 498 Q C -2.149 173.117 176.000 -1.223 0.000 1.044 498 Q CA -3.086 52.212 55.803 -0.843 0.000 0.813 498 Q CB 2.599 30.964 28.738 -0.621 0.000 1.428 498 Q HN -0.493 7.582 8.270 -0.326 0.000 0.402 499 P HA 0.171 nan 4.420 nan 0.000 0.262 499 P C -2.302 174.788 177.300 -0.349 0.000 1.304 499 P CA 0.802 63.057 63.100 -1.409 0.000 0.859 499 P CB 0.521 31.095 31.700 -1.878 0.000 1.310 500 H N -6.202 112.701 119.070 -0.279 0.000 2.990 500 H HA 0.183 nan 4.556 nan 0.000 0.336 500 H C -1.761 173.542 175.328 -0.042 0.000 1.306 500 H CA -1.545 54.471 56.048 -0.053 0.000 1.118 500 H CB 1.965 31.732 29.762 0.007 0.000 1.856 500 H HN -0.745 7.013 8.280 -0.736 0.080 0.538 501 V N -7.815 112.208 119.914 0.181 0.000 3.214 501 V HA 0.242 nan 4.120 nan 0.000 0.330 501 V C 0.129 176.322 176.094 0.166 0.000 1.403 501 V CA -0.504 61.860 62.300 0.107 0.000 1.143 501 V CB -0.955 30.927 31.823 0.098 0.000 1.098 501 V HN 0.288 8.622 8.190 0.241 0.000 0.463 502 R N 1.336 122.060 120.500 0.372 0.000 2.615 502 R HA 0.151 nan 4.340 nan 0.000 0.270 502 R C 0.803 177.225 176.300 0.204 0.000 1.081 502 R CA -0.677 55.556 56.100 0.222 0.000 1.154 502 R CB 1.096 31.450 30.300 0.090 0.000 1.063 502 R HN -0.543 8.093 8.270 0.728 0.070 0.519 503 G N -1.270 107.596 108.800 0.110 0.000 2.813 503 G HA2 -0.073 nan 3.960 nan 0.000 0.209 503 G HA3 -0.073 nan 3.960 nan 0.000 0.209 503 G C -0.715 174.243 174.900 0.097 0.000 1.150 503 G CA -0.037 45.115 45.100 0.087 0.000 0.785 503 G HN 0.416 8.751 8.290 0.074 0.000 0.535 504 D N -1.084 119.385 120.400 0.114 0.000 2.423 504 D HA 0.167 nan 4.640 nan 0.000 0.235 504 D C -0.740 175.641 176.300 0.134 0.000 1.011 504 D CA -0.773 53.280 54.000 0.087 0.000 0.963 504 D CB 1.756 42.574 40.800 0.031 0.000 1.349 504 D HN -0.612 7.771 8.370 0.117 0.057 0.508 505 K N -3.207 117.246 120.400 0.088 0.000 3.244 505 K HA -0.386 nan 4.320 nan 0.000 0.270 505 K C -1.399 175.350 176.600 0.249 0.000 1.016 505 K CA 0.179 56.518 56.287 0.087 0.000 0.754 505 K CB -1.550 30.953 32.500 0.004 0.000 1.326 505 K HN 0.238 8.521 8.250 0.055 0.000 0.465 506 L N -1.336 120.003 121.223 0.194 0.000 2.380 506 L HA 0.271 nan 4.340 nan 0.000 0.273 506 L C 0.467 177.456 176.870 0.199 0.000 1.138 506 L CA -1.195 53.765 54.840 0.200 0.000 0.832 506 L CB -0.073 42.050 42.059 0.106 0.000 1.124 506 L HN -0.412 7.895 8.230 0.128 0.000 0.454 507 W N 5.404 126.710 121.300 0.010 0.000 2.158 507 W HA 0.017 nan 4.660 nan 0.000 0.339 507 W C -0.629 175.932 176.519 0.069 0.000 1.294 507 W CA 0.673 58.065 57.345 0.077 0.000 1.231 507 W CB 0.524 30.095 29.460 0.186 0.000 1.143 507 W HN 0.771 9.716 8.180 0.559 -0.430 0.571 508 T N 3.044 117.750 114.554 0.254 0.000 2.940 508 T HA 0.593 nan 4.350 nan 0.000 0.288 508 T C 0.544 175.331 174.700 0.145 0.000 1.033 508 T CA -1.055 61.131 62.100 0.144 0.000 1.033 508 T CB 2.623 71.523 68.868 0.055 0.000 1.079 508 T HN 0.194 8.813 8.240 0.225 -0.244 0.496 509 L N 2.896 124.169 121.223 0.083 0.000 2.042 509 L HA -0.297 nan 4.340 nan 0.000 0.210 509 L C 0.572 177.464 176.870 0.036 0.000 1.076 509 L CA 4.087 58.955 54.840 0.047 0.000 0.749 509 L CB -0.241 41.828 42.059 0.017 0.000 0.893 509 L HN 0.542 8.812 8.230 0.068 0.000 0.432 510 D N -2.044 118.373 120.400 0.028 0.000 2.144 510 D HA -0.308 nan 4.640 nan 0.000 0.200 510 D C 2.034 178.346 176.300 0.020 0.000 0.978 510 D CA 3.588 57.596 54.000 0.012 0.000 0.833 510 D CB -0.998 39.802 40.800 -0.000 0.000 0.961 510 D HN 0.278 8.660 8.370 0.029 0.006 0.470 511 D N -0.899 119.526 120.400 0.043 0.000 2.144 511 D HA -0.221 nan 4.640 nan 0.000 0.199 511 D C 2.114 178.500 176.300 0.143 0.000 0.984 511 D CA 3.356 57.383 54.000 0.044 0.000 0.834 511 D CB -0.512 40.294 40.800 0.009 0.000 0.955 511 D HN 0.046 8.325 8.370 0.055 0.124 0.465 512 I N -1.138 119.527 120.570 0.159 0.000 2.333 512 I HA -0.273 nan 4.170 nan 0.000 0.246 512 I C 2.205 178.323 176.117 0.002 0.000 1.106 512 I CA 1.368 62.717 61.300 0.081 0.000 1.411 512 I CB -0.448 37.546 38.000 -0.010 0.000 1.082 512 I HN -0.429 7.771 8.210 0.149 0.100 0.420 513 K N 1.130 121.528 120.400 -0.003 0.000 2.063 513 K HA -0.357 nan 4.320 nan 0.000 0.208 513 K C 2.575 179.163 176.600 -0.019 0.000 1.048 513 K CA 3.567 59.840 56.287 -0.024 0.000 0.928 513 K CB -0.180 32.309 32.500 -0.019 0.000 0.713 513 K HN 0.278 8.364 8.250 0.012 0.171 0.442 514 R N -1.743 118.755 120.500 -0.004 0.000 2.159 514 R HA -0.247 nan 4.340 nan 0.000 0.237 514 R C 1.888 178.186 176.300 -0.002 0.000 1.131 514 R CA 2.630 58.727 56.100 -0.004 0.000 0.982 514 R CB -0.204 30.094 30.300 -0.002 0.000 0.868 514 R HN -0.018 8.256 8.270 0.005 0.000 0.453 515 L N -4.471 116.753 121.223 0.002 0.000 2.376 515 L HA -0.100 nan 4.340 nan 0.000 0.219 515 L C 0.273 177.114 176.870 -0.048 0.000 1.133 515 L CA -0.048 54.787 54.840 -0.009 0.000 0.816 515 L CB -0.162 41.886 42.059 -0.019 0.000 0.933 515 L HN -0.631 7.453 8.230 0.009 0.152 0.449 516 N N -1.746 116.919 118.700 -0.058 0.000 2.714 516 N HA -0.385 nan 4.740 nan 0.000 0.252 516 N C -0.983 174.461 175.510 -0.111 0.000 1.014 516 N CA 0.506 53.513 53.050 -0.072 0.000 0.735 516 N CB -0.366 38.091 38.487 -0.050 0.000 0.924 516 N HN -0.360 7.823 8.380 -0.048 0.168 0.540 517 C N 0.258 119.459 119.300 -0.166 0.000 2.464 517 C HA 0.110 nan 4.460 nan 0.000 0.370 517 C C -1.315 173.498 174.990 -0.294 0.000 1.267 517 C CA -0.161 58.703 59.018 -0.256 0.000 1.781 517 C CB -0.388 27.140 27.740 -0.353 0.000 2.431 517 C HN 0.172 8.305 8.230 -0.161 0.000 0.556 518 V N 8.669 128.440 119.914 -0.239 0.000 2.384 518 V HA 0.555 nan 4.120 nan 0.000 0.287 518 V C -0.081 175.923 176.094 -0.149 0.000 1.020 518 V CA -1.623 60.585 62.300 -0.154 0.000 0.850 518 V CB 1.045 32.833 31.823 -0.058 0.000 0.987 518 V HN 0.419 8.487 8.190 -0.203 0.000 0.436 519 F N 7.777 127.739 119.950 0.020 0.000 2.563 519 F HA -0.148 nan 4.527 nan 0.000 0.363 519 F C -0.637 175.189 175.800 0.043 0.000 1.123 519 F CA 1.694 59.741 58.000 0.079 0.000 1.307 519 F CB 0.938 40.061 39.000 0.205 0.000 1.115 519 F HN 0.125 8.504 8.300 0.132 0.000 0.592 520 K N 2.981 123.492 120.400 0.185 0.000 2.371 520 K HA 0.156 nan 4.320 nan 0.000 0.251 520 K C -1.614 175.000 176.600 0.023 0.000 0.934 520 K CA -1.674 54.647 56.287 0.056 0.000 0.798 520 K CB 2.230 34.698 32.500 -0.053 0.000 1.204 520 K HN -0.072 8.289 8.250 0.185 0.000 0.427 521 N N 4.407 123.133 118.700 0.044 0.000 2.401 521 N HA 0.273 nan 4.740 nan 0.000 0.255 521 N C -0.024 175.466 175.510 -0.032 0.000 1.110 521 N CA -3.230 49.848 53.050 0.048 0.000 0.949 521 N CB 0.177 38.708 38.487 0.072 0.000 1.110 521 N HN 0.424 8.833 8.380 0.049 0.000 0.490 522 P HA -0.256 nan 4.420 nan 0.000 0.219 522 P C 1.187 178.579 177.300 0.153 0.000 1.146 522 P CA 1.974 65.001 63.100 -0.121 0.000 0.808 522 P CB 0.156 31.627 31.700 -0.383 0.000 0.779 523 V N -0.724 119.321 119.914 0.218 0.000 2.809 523 V HA -0.240 nan 4.120 nan 0.000 0.256 523 V C 1.918 178.166 176.094 0.258 0.000 1.080 523 V CA 2.762 65.248 62.300 0.310 0.000 1.102 523 V CB -0.509 31.385 31.823 0.118 0.000 0.705 523 V HN -0.388 8.109 8.190 0.145 -0.221 0.475 524 K N 0.598 121.068 120.400 0.117 0.000 2.574 524 K HA -0.184 nan 4.320 nan 0.000 0.193 524 K C 0.707 177.323 176.600 0.027 0.000 1.035 524 K CA 1.610 57.936 56.287 0.065 0.000 0.982 524 K CB -0.949 31.566 32.500 0.024 0.000 0.795 524 K HN -0.164 8.097 8.250 0.083 0.038 0.491 525 A N -2.705 120.107 122.820 -0.013 0.000 2.208 525 A HA -0.005 nan 4.320 nan 0.000 0.209 525 A C -0.402 176.996 177.584 -0.311 0.000 1.161 525 A CA 0.799 52.721 52.037 -0.191 0.000 0.782 525 A CB 0.357 19.174 19.000 -0.306 0.000 0.816 525 A HN -0.600 7.502 8.150 0.053 0.079 0.477 526 F N 0.000 119.950 119.950 0.000 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 526 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 526 F HN 0.000 8.382 8.300 0.237 0.060 0.574