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 2id5_1_C DATA FIRST_RESID 2 DATA SEQUENCE GcPPRcEcSA QDRAVLcHRK RFVAVPEGIP TETRLLDLGK NRIKTLNQDE DATA SEQUENCE FASFPHLEEL ELNENIVSAV EPGAFNNLFN LRTLGLRSNR LKLIPLGVFT DATA SEQUENCE GLSNLTKLDI SENKIVILLD YMFQDLYNLK SLEVGDNDLV YISHRAFSGL DATA SEQUENCE NSLEQLTLEK CNLTSIPTEA LSHLHGLIVL RLRHLNINAI RDYSFKRLYR DATA SEQUENCE LKVLEISHWP YLDTMTPNCL YGLNLTSLSI THCNLTAVPY LAVRHLVYLR DATA SEQUENCE FLNLSYNPIS TIEGSMLHEL LRLQEIQLVG GQLAVVEPYA FRGLNYLRVL DATA SEQUENCE NVSGNQLTTL EESVFHSVGN LETLILDSNP LAcDcRLLWV FRRRWRLNFN DATA SEQUENCE RQQPTcATPE FVQGKEFKDF PDVLLPNYFT cRRARIRDRK AQQVFVDEGH DATA SEQUENCE TVQFVcRADG DPPPAILWLS PRKHLVXXXX NGRLTVFPDG TLEVRYAQVQ DATA SEQUENCE DNGTYLcIAA NAGGNDSMPA HLHVRS 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2 G C 0.000 174.921 174.900 0.035 0.000 0.946 2 G CA 0.000 45.121 45.100 0.035 0.000 0.502 3 c N 3.362 121.983 118.600 0.036 0.000 3.244 3 c HA 0.561 5.131 4.570 0.000 0.000 0.442 3 c C -2.772 171.341 174.090 0.039 0.000 0.949 3 c CA -0.872 55.477 56.329 0.034 0.000 1.132 3 c CB 1.035 43.563 42.510 0.031 0.000 1.561 3 c HN 0.688 nan 8.230 nan 0.000 0.639 4 P HA 0.226 nan 4.420 nan 0.000 0.264 4 P C -2.320 175.028 177.300 0.080 0.000 1.193 4 P CA -0.163 62.973 63.100 0.059 0.000 0.763 4 P CB 0.284 32.024 31.700 0.066 0.000 0.810 5 P HA 0.019 nan 4.420 nan 0.000 0.268 5 P C 0.447 177.813 177.300 0.109 0.000 1.208 5 P CA 0.145 63.293 63.100 0.080 0.000 0.777 5 P CB 0.616 32.359 31.700 0.072 0.000 0.875 6 R N -2.063 118.481 120.500 0.073 0.000 2.198 6 R HA -0.175 4.165 4.340 0.000 0.000 0.155 6 R C 0.496 176.830 176.300 0.058 0.000 0.877 6 R CA 1.759 57.892 56.100 0.055 0.000 1.870 6 R CB -2.676 27.651 30.300 0.046 0.000 0.812 6 R HN 0.490 nan 8.270 nan 0.000 0.662 7 c N 2.148 120.809 118.600 0.102 0.000 2.639 7 c HA 0.287 4.857 4.570 0.000 0.000 0.360 7 c C 0.702 174.829 174.090 0.061 0.000 1.351 7 c CA -0.202 56.183 56.329 0.093 0.000 2.408 7 c CB 0.326 42.914 42.510 0.131 0.000 2.517 7 c HN 0.451 nan 8.230 nan 0.000 0.696 8 E N 0.001 120.233 120.200 0.053 0.000 2.199 8 E HA 0.609 4.959 4.350 0.000 0.000 0.265 8 E C -1.561 175.059 176.600 0.033 0.000 0.882 8 E CA -0.522 55.902 56.400 0.040 0.000 0.759 8 E CB 0.778 30.500 29.700 0.037 0.000 1.148 8 E HN 0.574 nan 8.360 nan 0.000 0.412 9 c N 2.120 120.737 118.600 0.027 0.000 2.561 9 c HA 0.692 5.262 4.570 0.000 0.000 0.319 9 c C -0.275 173.825 174.090 0.017 0.000 1.198 9 c CA -0.731 55.610 56.329 0.020 0.000 1.665 9 c CB 1.418 43.940 42.510 0.020 0.000 2.258 9 c HN 0.786 nan 8.230 nan 0.000 0.493 10 S N 0.830 116.538 115.700 0.014 0.000 2.498 10 S HA 0.494 4.964 4.470 0.000 0.000 0.317 10 S C 0.702 175.308 174.600 0.010 0.000 1.090 10 S CA -0.231 57.976 58.200 0.012 0.000 1.089 10 S CB 1.652 64.859 63.200 0.011 0.000 0.997 10 S HN 0.937 nan 8.310 nan 0.000 0.470 11 A N 2.312 125.138 122.820 0.010 0.000 1.968 11 A HA -0.088 4.232 4.320 0.000 0.000 0.217 11 A C 1.976 179.563 177.584 0.005 0.000 1.169 11 A CA 1.003 53.045 52.037 0.009 0.000 0.638 11 A CB -0.339 18.666 19.000 0.009 0.000 0.812 11 A HN 0.777 nan 8.150 nan 0.000 0.446 12 Q N -0.569 119.234 119.800 0.005 0.000 2.096 12 Q HA -0.173 4.167 4.340 0.000 0.000 0.197 12 Q C 0.907 176.909 176.000 0.003 0.000 0.964 12 Q CA 1.691 57.496 55.803 0.004 0.000 0.838 12 Q CB -0.023 28.718 28.738 0.004 0.000 0.906 12 Q HN 0.658 nan 8.270 nan 0.000 0.444 13 D N -0.312 120.091 120.400 0.005 0.000 2.323 13 D HA 0.023 4.663 4.640 0.000 0.000 0.209 13 D C -0.343 175.961 176.300 0.006 0.000 0.973 13 D CA 0.213 54.217 54.000 0.006 0.000 0.874 13 D CB 0.201 41.005 40.800 0.007 0.000 0.930 13 D HN 0.123 nan 8.370 nan 0.000 0.521 14 R N -0.733 119.770 120.500 0.006 0.000 3.332 14 R HA -0.144 4.196 4.340 0.000 0.000 0.263 14 R C -0.720 175.583 176.300 0.006 0.000 1.053 14 R CA 0.438 56.542 56.100 0.007 0.000 0.705 14 R CB -2.244 28.060 30.300 0.006 0.000 1.166 14 R HN 0.230 nan 8.270 nan 0.000 0.427 15 A N 0.124 122.946 122.820 0.004 0.000 2.340 15 A HA 0.775 5.095 4.320 0.000 0.000 0.331 15 A C -0.190 177.392 177.584 -0.004 0.000 1.140 15 A CA -0.510 51.526 52.037 -0.001 0.000 0.801 15 A CB 1.846 20.849 19.000 0.005 0.000 1.234 15 A HN 0.054 nan 8.150 nan 0.000 0.469 16 V N 2.688 122.592 119.914 -0.017 0.000 2.525 16 V HA 0.401 4.521 4.120 0.000 0.000 0.299 16 V C -0.889 175.200 176.094 -0.009 0.000 1.034 16 V CA -0.130 62.160 62.300 -0.016 0.000 0.863 16 V CB 1.309 33.102 31.823 -0.050 0.000 0.999 16 V HN 0.738 nan 8.190 nan 0.000 0.423 17 L N 4.680 125.915 121.223 0.019 0.000 2.319 17 L HA 0.535 4.875 4.340 0.000 0.000 0.281 17 L C -0.470 176.427 176.870 0.046 0.000 1.005 17 L CA -0.143 54.715 54.840 0.030 0.000 0.828 17 L CB 1.653 43.755 42.059 0.072 0.000 1.227 17 L HN 0.651 nan 8.230 nan 0.000 0.415 18 c N 1.892 120.495 118.600 0.005 0.000 3.163 18 c HA 0.308 4.878 4.570 0.000 0.000 0.228 18 c C 0.371 174.437 174.090 -0.041 0.000 1.593 18 c CA -0.773 55.592 56.329 0.060 0.000 1.489 18 c CB -1.127 41.527 42.510 0.241 0.000 2.294 18 c HN 0.613 nan 8.230 nan 0.000 0.508 19 H N 0.863 119.939 119.070 0.011 0.000 2.629 19 H HA 0.200 4.756 4.556 0.000 0.000 0.357 19 H C 0.920 176.211 175.328 -0.063 0.000 1.121 19 H CA 0.672 56.713 56.048 -0.013 0.000 1.406 19 H CB 0.656 30.413 29.762 -0.009 0.000 1.456 19 H HN 0.443 nan 8.280 nan 0.000 0.579 20 R N 0.923 121.472 120.500 0.081 0.000 3.722 20 R HA -0.183 4.157 4.340 0.000 0.000 0.284 20 R C 0.685 176.908 176.300 -0.128 0.000 1.165 20 R CA 0.496 56.589 56.100 -0.012 0.000 0.779 20 R CB -0.421 29.883 30.300 0.006 0.000 1.179 20 R HN 0.489 nan 8.270 nan 0.000 0.491 21 K N 0.401 120.637 120.400 -0.273 0.000 2.426 21 K HA 0.054 4.374 4.320 0.000 0.000 0.193 21 K C 0.699 176.946 176.600 -0.588 0.000 1.028 21 K CA 0.194 56.146 56.287 -0.560 0.000 1.047 21 K CB 0.109 31.946 32.500 -1.106 0.000 0.821 21 K HN 0.332 nan 8.250 nan 0.000 0.513 22 R N 0.383 120.686 120.500 -0.327 0.000 3.656 22 R HA -0.150 4.191 4.340 0.000 0.000 0.297 22 R C -0.863 175.394 176.300 -0.072 0.000 1.166 22 R CA 0.011 56.017 56.100 -0.156 0.000 0.799 22 R CB -1.757 28.478 30.300 -0.108 0.000 1.285 22 R HN -0.038 nan 8.270 nan 0.000 0.477 23 F N -0.805 119.152 119.950 0.011 0.000 2.450 23 F HA 0.098 4.625 4.527 0.000 0.000 0.339 23 F C 1.849 177.655 175.800 0.009 0.000 1.146 23 F CA 0.032 58.037 58.000 0.008 0.000 1.267 23 F CB 0.900 39.904 39.000 0.007 0.000 1.178 23 F HN -0.044 nan 8.300 nan 0.000 0.585 24 V N -1.344 118.705 119.914 0.225 0.000 3.604 24 V HA 0.713 4.833 4.120 0.000 0.000 0.277 24 V C 0.340 176.470 176.094 0.060 0.000 1.399 24 V CA 0.493 62.860 62.300 0.111 0.000 1.034 24 V CB -0.352 31.513 31.823 0.070 0.000 0.824 24 V HN 0.737 nan 8.190 nan 0.000 0.439 25 A N -0.184 122.654 122.820 0.031 0.000 2.530 25 A HA 0.816 5.136 4.320 0.000 0.000 0.288 25 A C -0.643 176.855 177.584 -0.144 0.000 1.172 25 A CA -0.520 51.482 52.037 -0.060 0.000 0.733 25 A CB 1.630 20.580 19.000 -0.083 0.000 1.320 25 A HN 0.322 nan 8.150 nan 0.000 0.419 26 V N 3.165 122.976 119.914 -0.172 0.000 2.479 26 V HA 0.258 4.378 4.120 0.000 0.000 0.281 26 V C -1.499 174.433 176.094 -0.271 0.000 1.031 26 V CA -0.496 61.687 62.300 -0.195 0.000 1.038 26 V CB -0.020 31.712 31.823 -0.151 0.000 0.981 26 V HN 0.823 nan 8.190 nan 0.000 0.478 27 P HA 0.294 nan 4.420 nan 0.000 0.275 27 P C -0.391 176.791 177.300 -0.196 0.000 1.266 27 P CA -0.559 62.239 63.100 -0.503 0.000 0.793 27 P CB 0.946 32.096 31.700 -0.917 0.000 1.074 28 E N -0.950 119.173 120.200 -0.128 0.000 2.319 28 E HA 0.391 4.741 4.350 0.000 0.000 0.268 28 E C 1.021 177.624 176.600 0.006 0.000 1.050 28 E CA 0.115 56.498 56.400 -0.027 0.000 0.878 28 E CB 0.614 30.302 29.700 -0.020 0.000 1.066 28 E HN 0.818 nan 8.360 nan 0.000 0.406 29 G N 2.029 110.860 108.800 0.052 0.000 2.141 29 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 29 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 29 G C 0.264 175.206 174.900 0.069 0.000 0.982 29 G CA -0.061 45.074 45.100 0.059 0.000 0.662 29 G HN 0.442 nan 8.290 nan 0.000 0.527 30 I N 2.256 122.878 120.570 0.088 0.000 2.517 30 I HA 0.211 4.381 4.170 0.000 0.000 0.285 30 I C -1.423 174.802 176.117 0.181 0.000 1.106 30 I CA -1.745 59.581 61.300 0.044 0.000 1.402 30 I CB 0.705 38.584 38.000 -0.202 0.000 1.399 30 I HN -0.078 nan 8.210 nan 0.000 0.535 31 P HA 0.030 nan 4.420 nan 0.000 0.267 31 P C 0.668 178.118 177.300 0.250 0.000 1.200 31 P CA -0.022 63.166 63.100 0.146 0.000 0.772 31 P CB 0.495 32.245 31.700 0.083 0.000 0.855 32 T N 0.536 115.228 114.554 0.231 0.000 2.833 32 T HA -0.133 4.217 4.350 0.000 0.000 0.269 32 T C 1.088 175.964 174.700 0.293 0.000 1.054 32 T CA 1.389 63.653 62.100 0.273 0.000 1.135 32 T CB -0.365 68.603 68.868 0.167 0.000 0.869 32 T HN 0.551 nan 8.240 nan 0.000 0.466 33 E N 0.893 121.190 120.200 0.161 0.000 2.502 33 E HA 0.040 4.390 4.350 0.000 0.000 0.194 33 E C 0.189 176.838 176.600 0.082 0.000 1.062 33 E CA -0.049 56.382 56.400 0.050 0.000 0.867 33 E CB -0.002 29.666 29.700 -0.055 0.000 0.888 33 E HN 0.338 nan 8.360 nan 0.000 0.510 34 T N 0.789 115.421 114.554 0.130 0.000 2.933 34 T HA -0.005 4.345 4.350 0.000 0.000 0.306 34 T C 0.967 175.720 174.700 0.089 0.000 1.045 34 T CA 0.506 62.650 62.100 0.074 0.000 1.143 34 T CB 0.955 69.829 68.868 0.010 0.000 1.003 34 T HN 0.164 nan 8.240 nan 0.000 0.540 35 R N 0.641 121.169 120.500 0.047 0.000 2.225 35 R HA 0.276 4.616 4.340 0.000 0.000 0.194 35 R C -0.014 176.295 176.300 0.016 0.000 0.949 35 R CA -0.178 55.952 56.100 0.051 0.000 1.088 35 R CB 0.263 30.589 30.300 0.043 0.000 1.106 35 R HN 0.387 nan 8.270 nan 0.000 0.566 36 L N 1.459 122.680 121.223 -0.004 0.000 2.325 36 L HA 0.497 4.837 4.340 0.000 0.000 0.281 36 L C -1.628 175.214 176.870 -0.047 0.000 1.004 36 L CA -0.843 53.984 54.840 -0.022 0.000 0.823 36 L CB 1.643 43.696 42.059 -0.010 0.000 1.236 36 L HN -0.116 nan 8.230 nan 0.000 0.415 37 L N 5.233 126.413 121.223 -0.072 0.000 2.342 37 L HA 0.554 4.894 4.340 0.000 0.000 0.276 37 L C -1.144 175.679 176.870 -0.079 0.000 0.997 37 L CA 0.059 54.842 54.840 -0.096 0.000 0.838 37 L CB 1.327 43.294 42.059 -0.153 0.000 1.224 37 L HN 0.686 nan 8.230 nan 0.000 0.416 38 D N 5.581 125.938 120.400 -0.072 0.000 2.441 38 D HA 0.254 4.894 4.640 0.000 0.000 0.231 38 D C -0.126 176.083 176.300 -0.152 0.000 1.073 38 D CA -0.187 53.749 54.000 -0.107 0.000 0.850 38 D CB 1.110 41.852 40.800 -0.097 0.000 1.062 38 D HN 0.655 nan 8.370 nan 0.000 0.524 39 L N 3.233 124.396 121.223 -0.100 0.000 2.928 39 L HA 0.318 4.658 4.340 0.000 0.000 0.246 39 L C 1.382 178.203 176.870 -0.081 0.000 1.239 39 L CA -0.554 54.264 54.840 -0.036 0.000 1.035 39 L CB 0.807 42.919 42.059 0.087 0.000 1.360 39 L HN 0.300 nan 8.230 nan 0.000 0.529 40 G N 0.023 108.670 108.800 -0.257 0.000 2.491 40 G HA2 0.143 4.103 3.960 0.000 0.000 0.238 40 G HA3 0.143 4.103 3.960 0.000 0.000 0.238 40 G C 0.420 175.305 174.900 -0.025 0.000 1.277 40 G CA -0.089 44.930 45.100 -0.134 0.000 0.851 40 G HN 0.417 nan 8.290 nan 0.000 0.573 41 K N 0.341 120.790 120.400 0.081 0.000 3.239 41 K HA -0.156 4.165 4.320 0.000 0.000 0.270 41 K C 0.121 176.757 176.600 0.060 0.000 1.049 41 K CA 0.834 57.182 56.287 0.103 0.000 0.769 41 K CB -1.463 31.148 32.500 0.185 0.000 1.305 41 K HN 0.742 nan 8.250 nan 0.000 0.469 42 N N -0.124 118.608 118.700 0.053 0.000 3.184 42 N HA 0.389 5.129 4.740 0.000 0.000 0.353 42 N C -0.460 175.085 175.510 0.057 0.000 1.441 42 N CA -0.848 52.231 53.050 0.049 0.000 0.723 42 N CB 0.808 39.355 38.487 0.100 0.000 1.547 42 N HN 0.013 nan 8.380 nan 0.000 0.624 43 R N 1.034 121.575 120.500 0.070 0.000 2.865 43 R HA 0.447 4.787 4.340 0.000 0.000 0.370 43 R C -0.545 175.797 176.300 0.070 0.000 1.168 43 R CA -0.368 55.767 56.100 0.060 0.000 1.058 43 R CB -0.890 29.437 30.300 0.045 0.000 1.419 43 R HN 0.503 nan 8.270 nan 0.000 0.580 44 I N 1.033 121.653 120.570 0.083 0.000 2.452 44 I HA 0.043 4.213 4.170 0.000 0.000 0.287 44 I C 1.481 177.633 176.117 0.058 0.000 1.079 44 I CA 0.282 61.628 61.300 0.077 0.000 1.387 44 I CB 1.077 39.137 38.000 0.099 0.000 1.404 44 I HN -0.042 nan 8.210 nan 0.000 0.522 45 K N 3.248 123.671 120.400 0.039 0.000 2.276 45 K HA 0.162 4.482 4.320 0.000 0.000 0.198 45 K C -0.035 176.576 176.600 0.019 0.000 1.052 45 K CA 0.747 57.050 56.287 0.027 0.000 0.984 45 K CB 0.490 32.999 32.500 0.016 0.000 0.836 45 K HN 0.599 nan 8.250 nan 0.000 0.490 46 T N 1.160 115.719 114.554 0.008 0.000 2.971 46 T HA 0.396 4.746 4.350 0.000 0.000 0.304 46 T C -0.901 173.782 174.700 -0.029 0.000 1.038 46 T CA -0.657 61.434 62.100 -0.014 0.000 1.007 46 T CB 1.911 70.760 68.868 -0.031 0.000 1.055 46 T HN -0.060 nan 8.240 nan 0.000 0.451 47 L N 3.583 124.781 121.223 -0.042 0.000 2.272 47 L HA 0.497 4.837 4.340 0.000 0.000 0.289 47 L C 0.187 176.964 176.870 -0.155 0.000 1.032 47 L CA -0.798 53.989 54.840 -0.088 0.000 0.810 47 L CB 0.830 42.857 42.059 -0.052 0.000 1.205 47 L HN 0.597 nan 8.230 nan 0.000 0.422 48 N N 1.657 120.247 118.700 -0.184 0.000 2.489 48 N HA 0.226 4.967 4.740 0.000 0.000 0.284 48 N C -0.550 174.842 175.510 -0.195 0.000 1.158 48 N CA -0.746 52.202 53.050 -0.170 0.000 0.965 48 N CB 0.896 39.294 38.487 -0.148 0.000 1.195 48 N HN 0.530 nan 8.380 nan 0.000 0.506 49 Q N 0.796 120.503 119.800 -0.156 0.000 2.361 49 Q HA -0.083 4.257 4.340 0.000 0.000 0.276 49 Q C -0.687 175.233 176.000 -0.134 0.000 1.022 49 Q CA 0.324 56.043 55.803 -0.140 0.000 0.898 49 Q CB 0.303 28.979 28.738 -0.103 0.000 1.246 49 Q HN 0.566 nan 8.270 nan 0.000 0.410 50 D N 1.916 122.247 120.400 -0.116 0.000 3.077 50 D HA -0.233 4.407 4.640 0.000 0.000 0.217 50 D C 0.479 176.693 176.300 -0.145 0.000 1.162 50 D CA 1.428 55.367 54.000 -0.102 0.000 0.943 50 D CB -0.734 40.010 40.800 -0.094 0.000 1.122 50 D HN 0.857 nan 8.370 nan 0.000 0.413 51 E N -1.166 118.900 120.200 -0.223 0.000 2.077 51 E HA -0.146 4.204 4.350 0.000 0.000 0.193 51 E C 1.319 177.659 176.600 -0.434 0.000 0.989 51 E CA 1.017 57.172 56.400 -0.407 0.000 0.800 51 E CB -0.030 29.287 29.700 -0.638 0.000 0.746 51 E HN 0.374 nan 8.360 nan 0.000 0.452 52 F N -0.692 119.291 119.950 0.055 0.000 2.645 52 F HA 0.346 4.873 4.527 0.000 0.000 0.300 52 F C 1.524 177.356 175.800 0.054 0.000 1.115 52 F CA 0.129 58.254 58.000 0.209 0.000 1.355 52 F CB 0.273 39.431 39.000 0.263 0.000 1.026 52 F HN 0.027 nan 8.300 nan 0.000 0.536 53 A N 0.025 122.850 122.820 0.009 0.000 2.067 53 A HA -0.137 4.183 4.320 0.000 0.000 0.219 53 A C 2.214 179.691 177.584 -0.179 0.000 1.158 53 A CA 1.697 53.691 52.037 -0.072 0.000 0.661 53 A CB -0.776 18.168 19.000 -0.093 0.000 0.801 53 A HN 0.346 nan 8.150 nan 0.000 0.452 54 S N -1.324 114.125 115.700 -0.418 0.000 2.603 54 S HA 0.207 4.677 4.470 0.000 0.000 0.220 54 S C -0.039 174.132 174.600 -0.714 0.000 0.967 54 S CA -0.136 57.686 58.200 -0.630 0.000 0.920 54 S CB -0.458 62.232 63.200 -0.849 0.000 0.773 54 S HN 0.327 nan 8.310 nan 0.000 0.529 55 F N 1.940 121.931 119.950 0.069 0.000 2.471 55 F HA 0.433 4.961 4.527 0.000 0.000 0.318 55 F C -1.995 173.836 175.800 0.052 0.000 1.308 55 F CA -2.666 55.388 58.000 0.090 0.000 1.162 55 F CB 0.991 40.066 39.000 0.125 0.000 1.383 55 F HN -0.006 nan 8.300 nan 0.000 0.552 56 P HA -0.124 nan 4.420 nan 0.000 0.223 56 P C 0.711 177.960 177.300 -0.086 0.000 1.151 56 P CA 1.483 64.545 63.100 -0.064 0.000 0.787 56 P CB 0.044 31.637 31.700 -0.178 0.000 0.788 57 H N -1.056 118.097 119.070 0.137 0.000 2.539 57 H HA 0.201 4.757 4.556 0.000 0.000 0.267 57 H C 0.907 176.291 175.328 0.094 0.000 0.982 57 H CA -0.376 55.739 56.048 0.112 0.000 1.146 57 H CB -0.556 29.265 29.762 0.099 0.000 1.382 57 H HN 0.065 nan 8.280 nan 0.000 0.577 58 L N 1.390 122.720 121.223 0.178 0.000 2.559 58 L HA -0.084 4.256 4.340 0.000 0.000 0.274 58 L C 1.012 177.921 176.870 0.065 0.000 1.205 58 L CA 0.617 55.520 54.840 0.105 0.000 0.907 58 L CB 0.764 42.868 42.059 0.076 0.000 1.153 58 L HN 0.447 nan 8.230 nan 0.000 0.490 59 E N 1.703 121.930 120.200 0.045 0.000 2.290 59 E HA 0.044 4.394 4.350 0.000 0.000 0.197 59 E C 0.088 176.683 176.600 -0.009 0.000 0.948 59 E CA 0.237 56.652 56.400 0.026 0.000 0.895 59 E CB 0.653 30.373 29.700 0.032 0.000 0.865 59 E HN 0.558 nan 8.360 nan 0.000 0.486 60 E N 0.815 121.001 120.200 -0.024 0.000 2.263 60 E HA 0.338 4.688 4.350 0.000 0.000 0.268 60 E C -1.900 174.652 176.600 -0.080 0.000 0.884 60 E CA -0.668 55.702 56.400 -0.049 0.000 0.766 60 E CB 1.460 31.140 29.700 -0.033 0.000 1.196 60 E HN -0.102 nan 8.360 nan 0.000 0.416 61 L N 4.060 125.211 121.223 -0.120 0.000 2.376 61 L HA 0.468 4.808 4.340 0.000 0.000 0.275 61 L C -1.444 175.349 176.870 -0.129 0.000 0.987 61 L CA -0.350 54.389 54.840 -0.168 0.000 0.828 61 L CB 1.581 43.461 42.059 -0.297 0.000 1.249 61 L HN 0.466 nan 8.230 nan 0.000 0.409 62 E N 6.649 126.795 120.200 -0.091 0.000 2.145 62 E HA 0.357 4.707 4.350 0.000 0.000 0.262 62 E C -0.481 176.102 176.600 -0.028 0.000 0.883 62 E CA -0.074 56.296 56.400 -0.050 0.000 0.748 62 E CB 1.844 31.524 29.700 -0.032 0.000 1.140 62 E HN 0.654 nan 8.360 nan 0.000 0.417 63 L N 2.387 123.614 121.223 0.008 0.000 3.218 63 L HA 0.205 4.545 4.340 0.000 0.000 0.279 63 L C 0.295 177.204 176.870 0.066 0.000 1.287 63 L CA -0.322 54.553 54.840 0.058 0.000 1.024 63 L CB 0.112 42.244 42.059 0.121 0.000 1.409 63 L HN 0.163 nan 8.230 nan 0.000 0.580 64 N N 1.425 120.154 118.700 0.048 0.000 2.444 64 N HA 0.041 4.781 4.740 0.000 0.000 0.255 64 N C 0.168 175.717 175.510 0.066 0.000 1.255 64 N CA 0.055 53.140 53.050 0.058 0.000 0.933 64 N CB 0.495 39.017 38.487 0.057 0.000 1.143 64 N HN 0.217 nan 8.380 nan 0.000 0.453 65 E N -1.314 118.922 120.200 0.061 0.000 2.586 65 E HA -0.227 4.123 4.350 0.000 0.000 0.259 65 E C -0.385 176.250 176.600 0.059 0.000 1.107 65 E CA 0.458 56.892 56.400 0.057 0.000 0.754 65 E CB -1.340 28.398 29.700 0.063 0.000 1.335 65 E HN 0.561 nan 8.360 nan 0.000 0.411 66 N N 0.312 119.050 118.700 0.063 0.000 2.620 66 N HA 0.475 5.215 4.740 0.000 0.000 0.307 66 N C 0.492 176.035 175.510 0.055 0.000 1.316 66 N CA -0.477 52.611 53.050 0.064 0.000 0.931 66 N CB 0.640 39.175 38.487 0.080 0.000 1.116 66 N HN 0.031 nan 8.380 nan 0.000 0.573 67 I N 1.496 122.099 120.570 0.054 0.000 3.176 67 I HA 0.135 4.305 4.170 0.000 0.000 0.339 67 I C -0.810 175.334 176.117 0.046 0.000 1.505 67 I CA -0.147 61.180 61.300 0.044 0.000 0.969 67 I CB 0.383 38.404 38.000 0.034 0.000 1.636 67 I HN 0.047 nan 8.210 nan 0.000 0.523 68 V N 2.412 122.362 119.914 0.058 0.000 2.425 68 V HA 0.006 4.126 4.120 0.000 0.000 0.276 68 V C 1.360 177.483 176.094 0.047 0.000 1.017 68 V CA 0.748 63.084 62.300 0.059 0.000 1.062 68 V CB 0.815 32.691 31.823 0.087 0.000 0.997 68 V HN 0.687 nan 8.190 nan 0.000 0.476 69 S N 2.770 118.488 115.700 0.031 0.000 2.559 69 S HA 0.613 5.083 4.470 0.000 0.000 0.226 69 S C 0.397 175.004 174.600 0.011 0.000 1.000 69 S CA 0.252 58.465 58.200 0.022 0.000 0.948 69 S CB 0.671 63.880 63.200 0.015 0.000 0.870 69 S HN 1.050 nan 8.310 nan 0.000 0.497 70 A N 0.738 123.562 122.820 0.007 0.000 2.488 70 A HA 0.760 5.080 4.320 0.000 0.000 0.298 70 A C -1.322 176.248 177.584 -0.022 0.000 1.044 70 A CA -0.683 51.346 52.037 -0.012 0.000 0.693 70 A CB 1.994 20.981 19.000 -0.022 0.000 1.272 70 A HN 0.779 nan 8.150 nan 0.000 0.402 71 V N 2.357 122.244 119.914 -0.044 0.000 2.525 71 V HA 0.477 4.597 4.120 0.000 0.000 0.299 71 V C -0.449 175.573 176.094 -0.121 0.000 1.034 71 V CA -0.410 61.837 62.300 -0.088 0.000 0.863 71 V CB 1.497 33.277 31.823 -0.071 0.000 0.999 71 V HN 0.969 nan 8.190 nan 0.000 0.423 72 E N 7.568 127.680 120.200 -0.145 0.000 2.316 72 E HA 0.224 4.574 4.350 0.000 0.000 0.275 72 E C -1.716 174.785 176.600 -0.164 0.000 1.029 72 E CA -1.464 54.855 56.400 -0.135 0.000 0.871 72 E CB 1.476 31.100 29.700 -0.126 0.000 1.022 72 E HN 0.550 nan 8.360 nan 0.000 0.418 73 P HA -0.219 nan 4.420 nan 0.000 0.220 73 P C 0.934 178.169 177.300 -0.108 0.000 1.155 73 P CA 1.399 64.432 63.100 -0.112 0.000 0.880 73 P CB 0.148 31.804 31.700 -0.073 0.000 0.790 74 G N -1.513 107.222 108.800 -0.107 0.000 3.327 74 G HA2 0.178 4.138 3.960 0.000 0.000 0.240 74 G HA3 0.178 4.138 3.960 0.000 0.000 0.240 74 G C 1.343 176.154 174.900 -0.148 0.000 1.222 74 G CA 0.465 45.510 45.100 -0.092 0.000 0.871 74 G HN 0.282 nan 8.290 nan 0.000 0.525 75 A N 0.616 123.264 122.820 -0.287 0.000 1.940 75 A HA 0.082 4.402 4.320 0.000 0.000 0.219 75 A C 1.359 178.678 177.584 -0.442 0.000 1.176 75 A CA 0.835 52.576 52.037 -0.494 0.000 0.631 75 A CB -0.312 18.171 19.000 -0.863 0.000 0.814 75 A HN 0.340 nan 8.150 nan 0.000 0.446 76 F N 0.436 120.437 119.950 0.086 0.000 2.750 76 F HA 0.269 4.796 4.527 0.000 0.000 0.297 76 F C 0.152 175.942 175.800 -0.015 0.000 1.138 76 F CA -1.461 56.588 58.000 0.081 0.000 1.346 76 F CB -0.612 38.418 39.000 0.050 0.000 0.965 76 F HN -0.022 nan 8.300 nan 0.000 0.514 77 N N 1.502 120.232 118.700 0.050 0.000 2.412 77 N HA -0.065 4.675 4.740 0.000 0.000 0.254 77 N C 0.917 176.319 175.510 -0.180 0.000 1.232 77 N CA 0.645 53.654 53.050 -0.068 0.000 0.880 77 N CB 0.048 38.504 38.487 -0.052 0.000 1.076 77 N HN 0.212 nan 8.380 nan 0.000 0.458 78 N N 0.164 118.558 118.700 -0.509 0.000 2.878 78 N HA -0.194 4.546 4.740 0.000 0.000 0.247 78 N C -1.174 173.966 175.510 -0.617 0.000 1.021 78 N CA 0.524 53.132 53.050 -0.736 0.000 0.873 78 N CB -1.385 36.954 38.487 -0.245 0.000 1.128 78 N HN 0.560 nan 8.380 nan 0.000 0.571 79 L N 0.568 121.499 121.223 -0.487 0.000 2.783 79 L HA 0.322 4.662 4.340 0.000 0.000 0.235 79 L C 0.510 177.274 176.870 -0.177 0.000 1.260 79 L CA -0.506 54.211 54.840 -0.205 0.000 1.184 79 L CB -0.432 41.607 42.059 -0.034 0.000 1.472 79 L HN 0.002 nan 8.230 nan 0.000 0.426 80 F N -0.263 119.717 119.950 0.050 0.000 2.604 80 F HA -0.021 4.506 4.527 0.000 0.000 0.298 80 F C 1.731 177.554 175.800 0.037 0.000 1.131 80 F CA 0.542 58.567 58.000 0.042 0.000 1.457 80 F CB -0.270 38.745 39.000 0.025 0.000 1.095 80 F HN 0.399 nan 8.300 nan 0.000 0.574 81 N N 0.060 118.863 118.700 0.172 0.000 2.184 81 N HA 0.084 4.824 4.740 0.000 0.000 0.206 81 N C 0.155 175.711 175.510 0.077 0.000 1.151 81 N CA -0.052 53.074 53.050 0.126 0.000 0.878 81 N CB 0.481 39.044 38.487 0.126 0.000 1.014 81 N HN 0.156 nan 8.380 nan 0.000 0.512 82 L N 1.704 122.958 121.223 0.051 0.000 2.453 82 L HA 0.069 4.409 4.340 0.000 0.000 0.272 82 L C 1.383 178.255 176.870 0.003 0.000 1.182 82 L CA 0.469 55.313 54.840 0.005 0.000 0.858 82 L CB 0.677 42.713 42.059 -0.039 0.000 1.120 82 L HN -0.067 nan 8.230 nan 0.000 0.474 83 R N 1.758 122.250 120.500 -0.014 0.000 2.194 83 R HA 0.274 4.614 4.340 0.000 0.000 0.194 83 R C -0.185 176.088 176.300 -0.045 0.000 0.985 83 R CA 0.399 56.489 56.100 -0.017 0.000 1.104 83 R CB 0.266 30.563 30.300 -0.005 0.000 1.092 83 R HN 0.628 nan 8.270 nan 0.000 0.555 84 T N 1.867 116.386 114.554 -0.058 0.000 2.841 84 T HA 0.517 4.867 4.350 0.000 0.000 0.283 84 T C -1.174 173.461 174.700 -0.108 0.000 1.000 84 T CA -0.473 61.582 62.100 -0.075 0.000 0.977 84 T CB 2.142 70.976 68.868 -0.056 0.000 0.979 84 T HN -0.081 nan 8.240 nan 0.000 0.446 85 L N 2.691 123.838 121.223 -0.127 0.000 2.446 85 L HA 0.741 5.081 4.340 0.000 0.000 0.268 85 L C -0.151 176.655 176.870 -0.106 0.000 0.975 85 L CA -0.126 54.615 54.840 -0.165 0.000 0.848 85 L CB 1.261 43.163 42.059 -0.262 0.000 1.225 85 L HN 0.788 nan 8.230 nan 0.000 0.410 86 G N 5.117 113.874 108.800 -0.072 0.000 2.347 86 G HA2 0.547 4.507 3.960 0.000 0.000 0.314 86 G HA3 0.547 4.507 3.960 0.000 0.000 0.314 86 G C -0.199 174.709 174.900 0.014 0.000 1.126 86 G CA -0.328 44.758 45.100 -0.024 0.000 0.929 86 G HN 0.651 nan 8.290 nan 0.000 0.441 87 L N 2.292 123.543 121.223 0.046 0.000 3.267 87 L HA 0.327 4.668 4.340 0.000 0.000 0.289 87 L C 1.367 178.288 176.870 0.085 0.000 1.260 87 L CA -0.484 54.413 54.840 0.095 0.000 1.034 87 L CB 0.243 42.399 42.059 0.162 0.000 1.413 87 L HN 0.458 nan 8.230 nan 0.000 0.594 88 R N 0.861 121.395 120.500 0.056 0.000 2.640 88 R HA 0.020 4.360 4.340 0.000 0.000 0.270 88 R C 0.730 177.059 176.300 0.048 0.000 1.024 88 R CA 0.806 56.933 56.100 0.046 0.000 1.085 88 R CB 0.432 30.749 30.300 0.028 0.000 0.963 88 R HN 0.144 nan 8.270 nan 0.000 0.426 89 S N 2.344 118.068 115.700 0.040 0.000 3.625 89 S HA -0.145 4.325 4.470 0.000 0.000 0.426 89 S C -0.796 173.831 174.600 0.045 0.000 0.884 89 S CA 0.684 58.905 58.200 0.034 0.000 1.322 89 S CB -0.900 62.315 63.200 0.025 0.000 0.905 89 S HN 0.828 nan 8.310 nan 0.000 0.586 90 N N 1.055 119.786 118.700 0.053 0.000 3.369 90 N HA 0.497 5.237 4.740 0.000 0.000 0.362 90 N C 0.216 175.755 175.510 0.047 0.000 1.523 90 N CA -0.791 52.293 53.050 0.057 0.000 0.684 90 N CB 0.566 39.099 38.487 0.077 0.000 1.796 90 N HN 0.315 nan 8.380 nan 0.000 0.641 91 R N 0.722 121.250 120.500 0.048 0.000 2.690 91 R HA 0.392 4.732 4.340 0.000 0.000 0.419 91 R C -0.612 175.711 176.300 0.037 0.000 1.090 91 R CA -0.223 55.899 56.100 0.037 0.000 1.064 91 R CB -0.277 30.040 30.300 0.029 0.000 1.391 91 R HN 0.409 nan 8.270 nan 0.000 0.586 92 L N 1.104 122.357 121.223 0.050 0.000 2.360 92 L HA 0.161 4.501 4.340 0.000 0.000 0.276 92 L C 1.318 178.212 176.870 0.039 0.000 1.121 92 L CA 0.280 55.149 54.840 0.049 0.000 0.845 92 L CB 0.857 42.961 42.059 0.075 0.000 1.143 92 L HN -0.040 nan 8.230 nan 0.000 0.452 93 K N 2.768 123.183 120.400 0.025 0.000 2.216 93 K HA 0.255 4.575 4.320 0.000 0.000 0.207 93 K C -0.447 176.161 176.600 0.014 0.000 1.041 93 K CA 0.162 56.460 56.287 0.018 0.000 0.966 93 K CB 0.386 32.890 32.500 0.008 0.000 0.955 93 K HN 0.265 nan 8.250 nan 0.000 0.468 94 L N 1.823 123.049 121.223 0.004 0.000 2.427 94 L HA 0.406 4.746 4.340 0.000 0.000 0.264 94 L C -1.298 175.563 176.870 -0.014 0.000 0.989 94 L CA -0.357 54.479 54.840 -0.007 0.000 0.865 94 L CB 1.223 43.273 42.059 -0.015 0.000 1.209 94 L HN 0.056 nan 8.230 nan 0.000 0.430 95 I N 7.372 127.934 120.570 -0.014 0.000 2.452 95 I HA 0.227 4.398 4.170 0.000 0.000 0.287 95 I C -1.532 174.548 176.117 -0.061 0.000 1.079 95 I CA -1.425 59.855 61.300 -0.034 0.000 1.387 95 I CB 0.609 38.602 38.000 -0.012 0.000 1.404 95 I HN 0.506 nan 8.210 nan 0.000 0.522 96 P HA 0.180 nan 4.420 nan 0.000 0.274 96 P C -0.391 176.860 177.300 -0.081 0.000 1.237 96 P CA -0.468 62.591 63.100 -0.067 0.000 0.793 96 P CB 1.045 32.705 31.700 -0.067 0.000 0.977 97 L N 0.770 121.962 121.223 -0.051 0.000 2.461 97 L HA 0.272 4.612 4.340 0.000 0.000 0.272 97 L C 1.579 178.425 176.870 -0.040 0.000 1.197 97 L CA 1.107 55.927 54.840 -0.034 0.000 0.836 97 L CB -0.250 41.811 42.059 0.003 0.000 1.105 97 L HN 0.886 nan 8.230 nan 0.000 0.477 98 G N 1.719 110.506 108.800 -0.021 0.000 2.136 98 G HA2 -0.250 3.710 3.960 0.000 0.000 0.242 98 G HA3 -0.250 3.710 3.960 0.000 0.000 0.242 98 G C 0.528 175.400 174.900 -0.047 0.000 0.989 98 G CA 0.401 45.497 45.100 -0.008 0.000 0.682 98 G HN 0.698 nan 8.290 nan 0.000 0.522 99 V N -3.770 116.051 119.914 -0.154 0.000 2.725 99 V HA 0.448 4.568 4.120 0.000 0.000 0.247 99 V C 1.766 177.762 176.094 -0.163 0.000 1.058 99 V CA 1.494 63.643 62.300 -0.252 0.000 1.080 99 V CB -0.478 31.062 31.823 -0.471 0.000 0.713 99 V HN 0.296 nan 8.190 nan 0.000 0.465 100 F N 3.018 123.078 119.950 0.183 0.000 2.798 100 F HA 0.419 4.946 4.527 0.000 0.000 0.291 100 F C 1.045 176.943 175.800 0.163 0.000 1.174 100 F CA -0.396 57.716 58.000 0.187 0.000 1.392 100 F CB -0.859 38.252 39.000 0.184 0.000 0.966 100 F HN 0.190 nan 8.300 nan 0.000 0.509 101 T N -3.086 111.618 114.554 0.251 0.000 2.909 101 T HA 0.535 4.885 4.350 0.000 0.000 0.286 101 T C 1.291 176.111 174.700 0.199 0.000 1.002 101 T CA -0.157 62.065 62.100 0.203 0.000 1.074 101 T CB 1.665 70.616 68.868 0.139 0.000 0.984 101 T HN 0.456 nan 8.240 nan 0.000 0.495 102 G N 1.476 110.399 108.800 0.206 0.000 2.196 102 G HA2 -0.239 3.721 3.960 0.000 0.000 0.268 102 G HA3 -0.239 3.721 3.960 0.000 0.000 0.268 102 G C 0.263 175.311 174.900 0.246 0.000 0.975 102 G CA 0.240 45.491 45.100 0.252 0.000 0.648 102 G HN 0.820 nan 8.290 nan 0.000 0.538 103 L N 2.367 123.714 121.223 0.205 0.000 2.583 103 L HA 0.256 4.596 4.340 0.000 0.000 0.239 103 L C 2.127 179.097 176.870 0.167 0.000 1.347 103 L CA 0.352 55.291 54.840 0.164 0.000 1.246 103 L CB 0.185 42.329 42.059 0.143 0.000 1.496 103 L HN 0.385 nan 8.230 nan 0.000 0.413 104 S N -1.548 114.273 115.700 0.201 0.000 2.481 104 S HA -0.097 4.373 4.470 0.000 0.000 0.231 104 S C 1.305 175.992 174.600 0.145 0.000 0.996 104 S CA 0.602 58.908 58.200 0.176 0.000 0.942 104 S CB -0.105 63.196 63.200 0.168 0.000 0.768 104 S HN 0.628 nan 8.310 nan 0.000 0.520 105 N N 0.432 119.211 118.700 0.131 0.000 2.280 105 N HA 0.213 4.953 4.740 0.000 0.000 0.192 105 N C -0.359 175.186 175.510 0.058 0.000 1.109 105 N CA -0.150 52.957 53.050 0.095 0.000 0.855 105 N CB 0.118 38.663 38.487 0.097 0.000 0.974 105 N HN 0.308 nan 8.380 nan 0.000 0.482 106 L N 1.396 122.648 121.223 0.048 0.000 2.559 106 L HA -0.040 4.300 4.340 0.000 0.000 0.274 106 L C 1.177 178.037 176.870 -0.017 0.000 1.205 106 L CA 1.044 55.883 54.840 -0.000 0.000 0.907 106 L CB 0.871 42.920 42.059 -0.017 0.000 1.153 106 L HN -0.058 nan 8.230 nan 0.000 0.490 107 T N 2.952 117.484 114.554 -0.037 0.000 3.026 107 T HA 0.131 4.481 4.350 0.000 0.000 0.245 107 T C 0.282 174.935 174.700 -0.079 0.000 1.004 107 T CA 0.160 62.232 62.100 -0.047 0.000 1.069 107 T CB 0.167 69.016 68.868 -0.032 0.000 1.005 107 T HN 0.427 nan 8.240 nan 0.000 0.472 108 K N 1.102 121.452 120.400 -0.084 0.000 2.397 108 K HA 0.612 4.932 4.320 0.000 0.000 0.253 108 K C -2.110 174.417 176.600 -0.121 0.000 0.932 108 K CA -0.818 55.409 56.287 -0.099 0.000 0.795 108 K CB 1.583 34.038 32.500 -0.074 0.000 1.159 108 K HN 0.017 nan 8.250 nan 0.000 0.424 109 L N 3.269 124.404 121.223 -0.146 0.000 2.438 109 L HA 0.489 4.829 4.340 0.000 0.000 0.270 109 L C -1.832 174.967 176.870 -0.118 0.000 0.972 109 L CA -0.284 54.460 54.840 -0.159 0.000 0.831 109 L CB 1.959 43.865 42.059 -0.255 0.000 1.273 109 L HN 0.625 nan 8.230 nan 0.000 0.405 110 D N 4.908 125.267 120.400 -0.067 0.000 2.408 110 D HA 0.385 5.025 4.640 0.000 0.000 0.243 110 D C -0.081 176.232 176.300 0.023 0.000 1.075 110 D CA -0.204 53.781 54.000 -0.026 0.000 0.832 110 D CB 1.541 42.330 40.800 -0.017 0.000 1.162 110 D HN 0.540 nan 8.370 nan 0.000 0.515 111 I N 2.142 122.742 120.570 0.050 0.000 4.225 111 I HA -0.013 4.157 4.170 0.000 0.000 0.327 111 I C 0.732 176.908 176.117 0.098 0.000 1.422 111 I CA 0.092 61.459 61.300 0.113 0.000 1.150 111 I CB -0.083 38.024 38.000 0.177 0.000 1.192 111 I HN 0.265 nan 8.210 nan 0.000 0.440 112 S N 0.565 116.302 115.700 0.062 0.000 2.614 112 S HA 0.270 4.740 4.470 0.000 0.000 0.265 112 S C 0.601 175.224 174.600 0.038 0.000 1.303 112 S CA -0.142 58.086 58.200 0.048 0.000 1.000 112 S CB 1.217 64.433 63.200 0.027 0.000 0.935 112 S HN 0.328 nan 8.310 nan 0.000 0.551 113 E N -0.224 119.991 120.200 0.025 0.000 2.513 113 E HA -0.196 4.154 4.350 0.000 0.000 0.257 113 E C -0.114 176.502 176.600 0.027 0.000 1.098 113 E CA 0.441 56.849 56.400 0.013 0.000 0.752 113 E CB -1.632 28.067 29.700 -0.002 0.000 1.324 113 E HN 0.615 nan 8.360 nan 0.000 0.403 114 N N -0.097 118.627 118.700 0.040 0.000 2.786 114 N HA 0.283 5.023 4.740 0.000 0.000 0.315 114 N C 0.513 176.044 175.510 0.036 0.000 1.359 114 N CA -0.454 52.624 53.050 0.047 0.000 0.846 114 N CB 0.553 39.080 38.487 0.068 0.000 1.117 114 N HN -0.090 nan 8.380 nan 0.000 0.541 115 K N 0.907 121.329 120.400 0.037 0.000 2.564 115 K HA 0.404 4.724 4.320 0.000 0.000 0.205 115 K C -0.179 176.439 176.600 0.029 0.000 1.053 115 K CA -0.297 56.006 56.287 0.028 0.000 1.072 115 K CB 0.062 32.576 32.500 0.022 0.000 0.822 115 K HN 0.442 nan 8.250 nan 0.000 0.497 116 I N 1.244 121.838 120.570 0.040 0.000 2.683 116 I HA -0.111 4.059 4.170 0.000 0.000 0.286 116 I C 1.516 177.653 176.117 0.033 0.000 1.175 116 I CA 0.003 61.328 61.300 0.041 0.000 1.429 116 I CB 0.778 38.815 38.000 0.061 0.000 1.371 116 I HN -0.207 nan 8.210 nan 0.000 0.569 117 V N 6.926 126.855 119.914 0.025 0.000 3.085 117 V HA 0.238 4.358 4.120 0.000 0.000 0.245 117 V C 0.444 176.559 176.094 0.036 0.000 1.114 117 V CA 0.607 62.920 62.300 0.022 0.000 1.108 117 V CB 0.382 32.209 31.823 0.008 0.000 0.798 117 V HN 0.651 nan 8.190 nan 0.000 0.471 118 I N -0.011 120.579 120.570 0.032 0.000 2.752 118 I HA 0.405 4.575 4.170 0.000 0.000 0.295 118 I C -1.753 174.372 176.117 0.013 0.000 1.219 118 I CA -0.712 60.618 61.300 0.050 0.000 1.030 118 I CB 2.262 40.287 38.000 0.041 0.000 1.259 118 I HN -0.025 nan 8.210 nan 0.000 0.423 119 L N 7.452 128.667 121.223 -0.013 0.000 2.264 119 L HA 0.499 4.839 4.340 0.000 0.000 0.289 119 L C -0.632 176.166 176.870 -0.121 0.000 1.044 119 L CA -0.550 54.239 54.840 -0.085 0.000 0.807 119 L CB 1.256 43.230 42.059 -0.142 0.000 1.192 119 L HN 0.451 nan 8.230 nan 0.000 0.425 120 L N 1.923 123.068 121.223 -0.129 0.000 2.375 120 L HA 0.352 4.693 4.340 0.000 0.000 0.268 120 L C -0.053 176.696 176.870 -0.201 0.000 1.058 120 L CA -1.034 53.728 54.840 -0.130 0.000 0.803 120 L CB 1.087 43.096 42.059 -0.083 0.000 1.212 120 L HN 0.489 nan 8.230 nan 0.000 0.451 121 D N 1.267 121.518 120.400 -0.249 0.000 2.583 121 D HA -0.048 4.592 4.640 0.000 0.000 0.232 121 D C -0.106 176.007 176.300 -0.312 0.000 1.128 121 D CA 0.937 54.652 54.000 -0.474 0.000 0.859 121 D CB 0.113 40.505 40.800 -0.681 0.000 1.169 121 D HN 0.434 nan 8.370 nan 0.000 0.481 122 Y N -1.724 118.558 120.300 -0.030 0.000 4.929 122 Y HA -0.364 4.186 4.550 0.000 0.000 0.252 122 Y C 1.879 177.774 175.900 -0.010 0.000 0.950 122 Y CA 0.858 58.967 58.100 0.015 0.000 1.935 122 Y CB -2.710 35.767 38.460 0.029 0.000 1.440 122 Y HN 0.604 nan 8.280 nan 0.000 0.567 123 M N -2.922 116.656 119.600 -0.037 0.000 2.446 123 M HA 0.024 4.504 4.480 0.000 0.000 0.263 123 M C 0.830 177.005 176.300 -0.208 0.000 1.066 123 M CA 1.858 57.042 55.300 -0.194 0.000 1.087 123 M CB -0.433 31.905 32.600 -0.437 0.000 1.406 123 M HN 0.099 nan 8.290 nan 0.000 0.459 124 F N 0.080 120.148 119.950 0.198 0.000 2.683 124 F HA 0.319 4.846 4.527 0.000 0.000 0.306 124 F C 1.963 177.871 175.800 0.181 0.000 1.102 124 F CA -0.452 57.651 58.000 0.171 0.000 1.244 124 F CB -0.266 38.795 39.000 0.101 0.000 1.029 124 F HN 0.079 nan 8.300 nan 0.000 0.545 125 Q N 0.628 120.626 119.800 0.330 0.000 2.217 125 Q HA -0.248 4.092 4.340 0.000 0.000 0.209 125 Q C 1.487 177.642 176.000 0.259 0.000 0.988 125 Q CA 1.798 57.774 55.803 0.289 0.000 0.878 125 Q CB -0.225 28.662 28.738 0.248 0.000 0.909 125 Q HN 0.371 nan 8.270 nan 0.000 0.424 126 D N -0.700 119.853 120.400 0.255 0.000 2.333 126 D HA 0.007 4.647 4.640 0.000 0.000 0.208 126 D C 0.404 176.853 176.300 0.248 0.000 0.984 126 D CA 0.077 54.216 54.000 0.232 0.000 0.873 126 D CB 0.187 41.115 40.800 0.212 0.000 0.935 126 D HN 0.150 nan 8.370 nan 0.000 0.521 127 L N 1.642 123.016 121.223 0.253 0.000 2.650 127 L HA 0.047 4.387 4.340 0.000 0.000 0.239 127 L C 0.957 177.925 176.870 0.162 0.000 1.412 127 L CA -0.237 54.717 54.840 0.189 0.000 1.219 127 L CB -0.577 41.561 42.059 0.132 0.000 1.534 127 L HN 0.097 nan 8.230 nan 0.000 0.430 128 Y N 1.041 121.397 120.300 0.093 0.000 2.256 128 Y HA -0.246 4.304 4.550 0.000 0.000 0.288 128 Y C 2.107 178.036 175.900 0.048 0.000 1.155 128 Y CA 1.644 59.790 58.100 0.076 0.000 1.203 128 Y CB 0.174 38.679 38.460 0.075 0.000 0.980 128 Y HN 0.467 nan 8.280 nan 0.000 0.530 129 N N 0.228 119.014 118.700 0.144 0.000 2.392 129 N HA -0.015 4.726 4.740 0.000 0.000 0.177 129 N C -0.079 175.416 175.510 -0.026 0.000 1.066 129 N CA 0.067 53.159 53.050 0.070 0.000 0.895 129 N CB -0.113 38.454 38.487 0.133 0.000 0.988 129 N HN 0.224 nan 8.380 nan 0.000 0.457 130 L N 1.753 122.947 121.223 -0.048 0.000 2.578 130 L HA -0.089 4.251 4.340 0.000 0.000 0.279 130 L C 1.206 178.003 176.870 -0.121 0.000 1.227 130 L CA 0.889 55.672 54.840 -0.095 0.000 0.900 130 L CB 0.613 42.588 42.059 -0.140 0.000 1.144 130 L HN -0.045 nan 8.230 nan 0.000 0.496 131 K N 1.379 121.713 120.400 -0.111 0.000 2.399 131 K HA 0.201 4.521 4.320 0.000 0.000 0.196 131 K C 0.002 176.528 176.600 -0.122 0.000 1.117 131 K CA 0.086 56.309 56.287 -0.107 0.000 0.965 131 K CB 0.795 33.248 32.500 -0.077 0.000 0.983 131 K HN 0.574 nan 8.250 nan 0.000 0.531 132 S N 0.901 116.522 115.700 -0.132 0.000 2.557 132 S HA 0.566 5.037 4.470 0.000 0.000 0.291 132 S C -1.944 172.552 174.600 -0.174 0.000 1.116 132 S CA -0.759 57.360 58.200 -0.136 0.000 0.992 132 S CB 1.007 64.147 63.200 -0.100 0.000 1.028 132 S HN 0.117 nan 8.310 nan 0.000 0.484 133 L N 3.963 125.071 121.223 -0.191 0.000 2.436 133 L HA 0.641 4.981 4.340 0.000 0.000 0.268 133 L C -1.065 175.716 176.870 -0.149 0.000 0.974 133 L CA -0.043 54.664 54.840 -0.221 0.000 0.826 133 L CB 1.979 43.830 42.059 -0.347 0.000 1.291 133 L HN 0.696 nan 8.230 nan 0.000 0.406 134 E N 4.288 124.427 120.200 -0.100 0.000 2.158 134 E HA 0.702 5.053 4.350 0.000 0.000 0.271 134 E C -1.454 175.147 176.600 0.001 0.000 0.911 134 E CA -0.626 55.749 56.400 -0.042 0.000 0.767 134 E CB 2.321 32.005 29.700 -0.026 0.000 1.120 134 E HN 0.474 nan 8.360 nan 0.000 0.405 135 V N 0.475 120.411 119.914 0.037 0.000 3.049 135 V HA 0.902 5.022 4.120 0.000 0.000 0.309 135 V C -0.012 176.133 176.094 0.085 0.000 1.148 135 V CA -0.864 61.492 62.300 0.094 0.000 0.990 135 V CB 2.020 33.948 31.823 0.176 0.000 1.039 135 V HN 0.873 nan 8.190 nan 0.000 0.430 136 G N 1.476 110.326 108.800 0.084 0.000 2.351 136 G HA2 0.418 4.378 3.960 0.000 0.000 0.472 136 G HA3 0.418 4.378 3.960 0.000 0.000 0.472 136 G C -2.234 172.691 174.900 0.043 0.000 1.570 136 G CA -0.711 44.428 45.100 0.065 0.000 0.921 136 G HN 0.686 nan 8.290 nan 0.000 0.674 137 D N 0.261 120.682 120.400 0.034 0.000 2.661 137 D HA 0.332 4.973 4.640 0.000 0.000 0.228 137 D C 0.890 177.198 176.300 0.013 0.000 1.183 137 D CA -0.810 53.203 54.000 0.022 0.000 0.844 137 D CB 1.739 42.556 40.800 0.029 0.000 1.555 137 D HN 0.183 nan 8.370 nan 0.000 0.453 138 N N 0.299 119.003 118.700 0.006 0.000 2.192 138 N HA -0.143 4.597 4.740 0.000 0.000 0.188 138 N C 0.770 176.284 175.510 0.007 0.000 1.013 138 N CA 1.135 54.188 53.050 0.005 0.000 0.863 138 N CB 0.132 38.620 38.487 0.003 0.000 0.990 138 N HN 0.459 nan 8.380 nan 0.000 0.430 139 D N -0.063 120.344 120.400 0.011 0.000 2.289 139 D HA -0.045 4.595 4.640 0.000 0.000 0.207 139 D C 0.379 176.689 176.300 0.018 0.000 0.966 139 D CA -0.027 53.981 54.000 0.013 0.000 0.868 139 D CB 0.119 40.928 40.800 0.014 0.000 0.943 139 D HN 0.121 nan 8.370 nan 0.000 0.514 140 L N 1.959 123.195 121.223 0.023 0.000 2.530 140 L HA -0.040 4.300 4.340 0.000 0.000 0.273 140 L C 0.972 177.858 176.870 0.026 0.000 1.141 140 L CA 0.250 55.108 54.840 0.030 0.000 0.905 140 L CB 0.894 42.974 42.059 0.036 0.000 1.202 140 L HN -0.171 nan 8.230 nan 0.000 0.473 141 V N 2.835 122.776 119.914 0.044 0.000 3.604 141 V HA 0.364 4.484 4.120 0.000 0.000 0.277 141 V C -0.153 176.013 176.094 0.120 0.000 1.399 141 V CA -0.395 61.938 62.300 0.056 0.000 1.034 141 V CB -0.749 31.103 31.823 0.048 0.000 0.824 141 V HN 0.668 nan 8.190 nan 0.000 0.439 142 Y N -0.024 120.249 120.300 -0.046 0.000 2.482 142 Y HA 0.724 5.274 4.550 0.000 0.000 0.334 142 Y C -1.232 174.616 175.900 -0.087 0.000 1.091 142 Y CA -1.147 56.914 58.100 -0.066 0.000 1.027 142 Y CB 2.026 40.438 38.460 -0.080 0.000 1.306 142 Y HN 0.074 nan 8.280 nan 0.000 0.446 143 I N 4.928 125.186 120.570 -0.521 0.000 2.410 143 I HA 0.297 4.467 4.170 0.000 0.000 0.286 143 I C -0.057 175.690 176.117 -0.617 0.000 1.009 143 I CA -0.629 60.425 61.300 -0.410 0.000 1.111 143 I CB 1.729 39.555 38.000 -0.290 0.000 1.262 143 I HN 0.555 nan 8.210 nan 0.000 0.443 144 S N 4.128 119.627 115.700 -0.336 0.000 2.569 144 S HA 0.012 4.482 4.470 0.000 0.000 0.274 144 S C 1.306 175.678 174.600 -0.379 0.000 1.353 144 S CA -0.297 57.717 58.200 -0.310 0.000 1.023 144 S CB 0.351 63.434 63.200 -0.195 0.000 0.876 144 S HN 0.510 nan 8.310 nan 0.000 0.540 145 H N 2.058 121.012 119.070 -0.194 0.000 2.387 145 H HA -0.006 4.550 4.556 0.000 0.000 0.299 145 H C 1.241 176.298 175.328 -0.452 0.000 1.090 145 H CA 1.250 57.168 56.048 -0.216 0.000 1.332 145 H CB 0.063 29.784 29.762 -0.070 0.000 1.386 145 H HN 0.461 nan 8.280 nan 0.000 0.516 146 R N 0.495 120.786 120.500 -0.350 0.000 2.609 146 R HA 0.341 4.681 4.340 0.000 0.000 0.326 146 R C 1.740 177.774 176.300 -0.444 0.000 1.090 146 R CA 0.233 56.033 56.100 -0.500 0.000 1.072 146 R CB 0.536 30.533 30.300 -0.505 0.000 1.330 146 R HN 0.153 nan 8.270 nan 0.000 0.572 147 A N 0.749 123.297 122.820 -0.453 0.000 1.883 147 A HA -0.144 4.176 4.320 0.000 0.000 0.217 147 A C 1.058 178.484 177.584 -0.263 0.000 1.186 147 A CA 1.292 53.048 52.037 -0.469 0.000 0.624 147 A CB -0.266 18.287 19.000 -0.745 0.000 0.822 147 A HN 0.272 nan 8.150 nan 0.000 0.444 148 F N 0.480 120.448 119.950 0.031 0.000 2.664 148 F HA 0.299 4.826 4.527 0.000 0.000 0.301 148 F C 1.234 177.096 175.800 0.104 0.000 1.126 148 F CA -0.324 57.743 58.000 0.111 0.000 1.373 148 F CB -0.519 38.486 39.000 0.009 0.000 1.042 148 F HN 0.024 nan 8.300 nan 0.000 0.535 149 S N 0.128 115.947 115.700 0.198 0.000 2.533 149 S HA 0.424 4.894 4.470 0.000 0.000 0.282 149 S C 1.213 175.992 174.600 0.298 0.000 1.304 149 S CA 0.753 59.101 58.200 0.248 0.000 1.063 149 S CB 0.414 63.739 63.200 0.208 0.000 0.881 149 S HN 0.815 nan 8.310 nan 0.000 0.493 150 G N 3.536 112.502 108.800 0.276 0.000 2.213 150 G HA2 -0.186 3.774 3.960 0.000 0.000 0.226 150 G HA3 -0.186 3.774 3.960 0.000 0.000 0.226 150 G C 0.157 175.163 174.900 0.177 0.000 0.992 150 G CA 0.041 45.296 45.100 0.257 0.000 0.632 150 G HN 0.721 nan 8.290 nan 0.000 0.511 151 L N 1.902 123.203 121.223 0.129 0.000 2.480 151 L HA 0.308 4.648 4.340 0.000 0.000 0.243 151 L C 1.307 178.133 176.870 -0.074 0.000 1.315 151 L CA -0.477 54.362 54.840 -0.000 0.000 1.231 151 L CB -0.038 42.003 42.059 -0.031 0.000 1.444 151 L HN 0.091 nan 8.230 nan 0.000 0.409 152 N N -0.859 117.731 118.700 -0.184 0.000 2.409 152 N HA -0.092 4.648 4.740 0.000 0.000 0.179 152 N C 1.493 176.819 175.510 -0.307 0.000 1.032 152 N CA 0.632 53.535 53.050 -0.246 0.000 0.898 152 N CB 0.192 38.455 38.487 -0.374 0.000 0.971 152 N HN 0.282 nan 8.380 nan 0.000 0.441 153 S N -0.046 115.432 115.700 -0.369 0.000 2.535 153 S HA 0.179 4.649 4.470 0.000 0.000 0.214 153 S C 0.361 174.867 174.600 -0.158 0.000 0.980 153 S CA -0.486 57.562 58.200 -0.254 0.000 0.907 153 S CB 0.131 63.181 63.200 -0.249 0.000 0.790 153 S HN 0.185 nan 8.310 nan 0.000 0.510 154 L N 2.782 123.911 121.223 -0.156 0.000 2.559 154 L HA 0.039 4.379 4.340 0.000 0.000 0.274 154 L C 0.922 177.720 176.870 -0.120 0.000 1.205 154 L CA 1.063 55.814 54.840 -0.148 0.000 0.907 154 L CB 0.333 42.285 42.059 -0.179 0.000 1.153 154 L HN 0.116 nan 8.230 nan 0.000 0.490 155 E N 2.310 122.443 120.200 -0.112 0.000 2.421 155 E HA 0.085 4.435 4.350 0.000 0.000 0.209 155 E C -0.162 176.382 176.600 -0.093 0.000 0.871 155 E CA 0.004 56.350 56.400 -0.089 0.000 1.064 155 E CB 0.699 30.357 29.700 -0.071 0.000 1.075 155 E HN 0.652 nan 8.360 nan 0.000 0.513 156 Q N 1.596 121.331 119.800 -0.108 0.000 2.290 156 Q HA 0.400 4.740 4.340 0.000 0.000 0.269 156 Q C -1.893 174.026 176.000 -0.135 0.000 1.016 156 Q CA -0.600 55.141 55.803 -0.103 0.000 0.754 156 Q CB 1.484 30.172 28.738 -0.083 0.000 1.247 156 Q HN 0.010 nan 8.270 nan 0.000 0.451 157 L N 3.134 124.273 121.223 -0.141 0.000 2.341 157 L HA 0.649 4.989 4.340 0.000 0.000 0.278 157 L C -1.269 175.541 176.870 -0.100 0.000 1.005 157 L CA 0.138 54.874 54.840 -0.174 0.000 0.818 157 L CB 2.370 44.265 42.059 -0.273 0.000 1.259 157 L HN 0.585 nan 8.230 nan 0.000 0.418 158 T N 6.060 120.567 114.554 -0.078 0.000 2.815 158 T HA 0.533 4.883 4.350 0.000 0.000 0.289 158 T C -1.096 173.608 174.700 0.007 0.000 1.000 158 T CA -0.219 61.872 62.100 -0.015 0.000 0.958 158 T CB 1.082 69.948 68.868 -0.004 0.000 0.944 158 T HN 0.437 nan 8.240 nan 0.000 0.442 159 L N 4.880 126.134 121.223 0.051 0.000 2.319 159 L HA 0.577 4.918 4.340 0.000 0.000 0.281 159 L C -0.200 176.733 176.870 0.105 0.000 1.005 159 L CA -0.404 54.483 54.840 0.078 0.000 0.828 159 L CB 0.617 42.732 42.059 0.093 0.000 1.227 159 L HN 0.756 nan 8.230 nan 0.000 0.415 160 E N 3.633 123.884 120.200 0.086 0.000 2.392 160 E HA 0.487 4.837 4.350 0.000 0.000 0.269 160 E C -0.570 176.065 176.600 0.059 0.000 0.924 160 E CA -0.874 55.583 56.400 0.096 0.000 0.784 160 E CB 1.311 31.064 29.700 0.089 0.000 1.292 160 E HN 0.337 nan 8.360 nan 0.000 0.447 161 K N -1.165 119.275 120.400 0.067 0.000 3.495 161 K HA -0.174 4.146 4.320 0.000 0.000 0.315 161 K C -0.075 176.532 176.600 0.011 0.000 1.301 161 K CA 1.044 57.347 56.287 0.026 0.000 0.985 161 K CB -2.682 29.803 32.500 -0.025 0.000 1.244 161 K HN 0.724 nan 8.250 nan 0.000 0.433 162 C N 1.381 120.682 119.300 0.002 0.000 2.705 162 C HA 0.130 4.590 4.460 0.000 0.000 0.382 162 C C 1.475 176.443 174.990 -0.036 0.000 1.322 162 C CA -0.421 58.590 59.018 -0.013 0.000 2.290 162 C CB 0.169 27.899 27.740 -0.016 0.000 2.650 162 C HN 0.296 nan 8.230 nan 0.000 0.695 163 N N 1.052 119.735 118.700 -0.028 0.000 2.538 163 N HA 0.297 5.037 4.740 0.000 0.000 0.291 163 N C -0.848 174.634 175.510 -0.047 0.000 1.323 163 N CA -0.196 52.831 53.050 -0.038 0.000 0.934 163 N CB -0.098 38.377 38.487 -0.019 0.000 1.255 163 N HN 0.392 nan 8.380 nan 0.000 0.509 164 L N 0.479 121.662 121.223 -0.066 0.000 2.417 164 L HA 0.197 4.537 4.340 0.000 0.000 0.268 164 L C 2.033 178.850 176.870 -0.088 0.000 1.158 164 L CA 0.385 55.184 54.840 -0.067 0.000 0.819 164 L CB 0.622 42.635 42.059 -0.077 0.000 1.112 164 L HN 0.250 nan 8.230 nan 0.000 0.458 165 T N -2.297 112.221 114.554 -0.060 0.000 2.851 165 T HA 0.047 4.397 4.350 0.000 0.000 0.262 165 T C 0.692 175.357 174.700 -0.058 0.000 1.043 165 T CA 0.809 62.875 62.100 -0.058 0.000 1.140 165 T CB -0.140 68.711 68.868 -0.029 0.000 0.872 165 T HN 0.609 nan 8.240 nan 0.000 0.446 166 S N -0.063 115.606 115.700 -0.051 0.000 2.661 166 S HA 0.674 5.145 4.470 0.000 0.000 0.285 166 S C -0.544 174.027 174.600 -0.049 0.000 1.138 166 S CA -1.249 56.928 58.200 -0.037 0.000 0.855 166 S CB 0.997 64.188 63.200 -0.016 0.000 1.136 166 S HN 0.289 nan 8.310 nan 0.000 0.484 167 I N 2.515 123.066 120.570 -0.031 0.000 2.683 167 I HA 0.165 4.335 4.170 0.000 0.000 0.286 167 I C -1.814 174.266 176.117 -0.062 0.000 1.175 167 I CA -1.346 59.928 61.300 -0.042 0.000 1.429 167 I CB 0.353 38.275 38.000 -0.129 0.000 1.371 167 I HN 0.487 nan 8.210 nan 0.000 0.569 168 P HA 0.095 nan 4.420 nan 0.000 0.225 168 P C 0.594 177.899 177.300 0.008 0.000 1.813 168 P CA -0.195 62.895 63.100 -0.016 0.000 1.013 168 P CB 0.120 31.829 31.700 0.016 0.000 1.961 169 T N 0.317 114.846 114.554 -0.042 0.000 2.580 169 T HA -0.240 4.110 4.350 0.000 0.000 0.265 169 T C 1.580 176.297 174.700 0.028 0.000 1.063 169 T CA 1.786 63.859 62.100 -0.046 0.000 1.170 169 T CB -0.442 68.385 68.868 -0.068 0.000 0.863 169 T HN 0.371 nan 8.240 nan 0.000 0.418 170 E N 0.726 120.946 120.200 0.033 0.000 2.070 170 E HA -0.205 4.145 4.350 0.000 0.000 0.197 170 E C 2.392 179.091 176.600 0.164 0.000 1.004 170 E CA 1.261 57.692 56.400 0.053 0.000 0.805 170 E CB -0.309 29.352 29.700 -0.066 0.000 0.744 170 E HN 0.479 nan 8.360 nan 0.000 0.451 171 A N 0.564 123.474 122.820 0.151 0.000 1.908 171 A HA -0.173 4.147 4.320 0.000 0.000 0.218 171 A C 2.195 179.958 177.584 0.298 0.000 1.181 171 A CA 1.351 53.471 52.037 0.139 0.000 0.627 171 A CB -0.689 18.347 19.000 0.060 0.000 0.818 171 A HN 0.323 nan 8.150 nan 0.000 0.445 172 L N 0.614 121.978 121.223 0.235 0.000 2.201 172 L HA -0.140 4.200 4.340 0.000 0.000 0.212 172 L C 2.820 179.734 176.870 0.073 0.000 1.105 172 L CA 1.252 56.180 54.840 0.146 0.000 0.775 172 L CB -0.367 41.748 42.059 0.094 0.000 0.913 172 L HN 0.616 nan 8.230 nan 0.000 0.440 173 S N -1.701 114.054 115.700 0.091 0.000 2.469 173 S HA -0.202 4.268 4.470 0.000 0.000 0.238 173 S C 1.632 176.068 174.600 -0.274 0.000 0.998 173 S CA 0.843 59.010 58.200 -0.055 0.000 0.957 173 S CB -0.510 62.683 63.200 -0.011 0.000 0.764 173 S HN 0.479 nan 8.310 nan 0.000 0.514 174 H N 1.186 120.129 119.070 -0.212 0.000 2.495 174 H HA 0.310 4.866 4.556 0.000 0.000 0.287 174 H C 0.526 175.606 175.328 -0.414 0.000 1.033 174 H CA 0.662 56.550 56.048 -0.266 0.000 1.307 174 H CB -0.258 29.515 29.762 0.019 0.000 1.401 174 H HN 0.373 nan 8.280 nan 0.000 0.555 175 L N 2.117 123.220 121.223 -0.199 0.000 2.480 175 L HA 0.042 4.382 4.340 0.000 0.000 0.243 175 L C 0.776 177.536 176.870 -0.184 0.000 1.315 175 L CA -0.171 54.575 54.840 -0.157 0.000 1.231 175 L CB -0.074 41.897 42.059 -0.147 0.000 1.444 175 L HN 0.418 nan 8.230 nan 0.000 0.409 176 H N 1.185 120.271 119.070 0.026 0.000 2.518 176 H HA -0.040 4.516 4.556 0.000 0.000 0.289 176 H C 1.799 177.172 175.328 0.075 0.000 1.051 176 H CA 1.112 57.193 56.048 0.054 0.000 1.280 176 H CB 0.281 30.151 29.762 0.179 0.000 1.380 176 H HN 0.643 nan 8.280 nan 0.000 0.566 177 G N 0.446 109.317 108.800 0.118 0.000 3.393 177 G HA2 0.166 4.126 3.960 0.000 0.000 0.255 177 G HA3 0.166 4.126 3.960 0.000 0.000 0.255 177 G C 0.273 175.172 174.900 -0.001 0.000 1.097 177 G CA -0.338 44.799 45.100 0.062 0.000 0.780 177 G HN 0.086 nan 8.290 nan 0.000 0.540 178 L N 1.104 122.310 121.223 -0.028 0.000 2.455 178 L HA 0.355 4.695 4.340 0.000 0.000 0.272 178 L C 1.121 177.961 176.870 -0.050 0.000 1.174 178 L CA 0.311 55.113 54.840 -0.063 0.000 0.869 178 L CB 0.686 42.690 42.059 -0.093 0.000 1.130 178 L HN 0.105 nan 8.230 nan 0.000 0.474 179 I N 3.978 124.514 120.570 -0.057 0.000 3.039 179 I HA 0.086 4.256 4.170 0.000 0.000 0.270 179 I C -0.204 175.877 176.117 -0.059 0.000 1.150 179 I CA 0.249 61.519 61.300 -0.051 0.000 1.448 179 I CB 0.309 38.280 38.000 -0.047 0.000 1.197 179 I HN 0.277 nan 8.210 nan 0.000 0.450 180 V N 2.988 122.863 119.914 -0.065 0.000 2.444 180 V HA 0.403 4.523 4.120 0.000 0.000 0.294 180 V C -0.921 175.135 176.094 -0.063 0.000 1.022 180 V CA -0.598 61.665 62.300 -0.061 0.000 0.850 180 V CB 2.211 34.001 31.823 -0.055 0.000 0.992 180 V HN 0.042 nan 8.190 nan 0.000 0.426 181 L N 6.221 127.412 121.223 -0.054 0.000 2.341 181 L HA 0.714 5.054 4.340 0.000 0.000 0.278 181 L C -0.348 176.524 176.870 0.004 0.000 1.005 181 L CA -0.199 54.622 54.840 -0.032 0.000 0.818 181 L CB 1.638 43.687 42.059 -0.017 0.000 1.259 181 L HN 0.606 nan 8.230 nan 0.000 0.418 182 R N 5.937 126.456 120.500 0.033 0.000 2.451 182 R HA 0.619 4.959 4.340 0.000 0.000 0.307 182 R C -1.506 174.881 176.300 0.146 0.000 0.965 182 R CA -0.642 55.503 56.100 0.076 0.000 0.865 182 R CB 1.507 31.842 30.300 0.059 0.000 1.174 182 R HN 0.591 nan 8.270 nan 0.000 0.455 183 L N 4.233 125.597 121.223 0.234 0.000 2.295 183 L HA 0.547 4.887 4.340 0.000 0.000 0.281 183 L C -0.019 177.167 176.870 0.527 0.000 1.018 183 L CA -0.544 54.535 54.840 0.398 0.000 0.841 183 L CB 1.176 43.614 42.059 0.631 0.000 1.218 183 L HN 0.385 nan 8.230 nan 0.000 0.424 184 R N 0.887 121.619 120.500 0.386 0.000 2.711 184 R HA 0.504 4.844 4.340 0.000 0.000 0.284 184 R C -0.617 175.884 176.300 0.335 0.000 0.968 184 R CA -1.298 55.030 56.100 0.379 0.000 0.924 184 R CB 1.229 31.724 30.300 0.325 0.000 1.162 184 R HN 0.504 nan 8.270 nan 0.000 0.465 185 H N 0.298 119.510 119.070 0.236 0.000 2.592 185 H HA -0.177 4.379 4.556 0.000 0.000 0.323 185 H C -0.943 174.351 175.328 -0.056 0.000 1.117 185 H CA 0.456 56.559 56.048 0.093 0.000 1.120 185 H CB -1.420 28.348 29.762 0.009 0.000 1.561 185 H HN 0.284 nan 8.280 nan 0.000 0.409 186 L N -0.239 120.839 121.223 -0.242 0.000 2.322 186 L HA 0.322 4.662 4.340 0.000 0.000 0.269 186 L C 1.060 177.700 176.870 -0.383 0.000 1.012 186 L CA -0.662 53.883 54.840 -0.492 0.000 0.815 186 L CB 1.477 42.918 42.059 -1.030 0.000 1.295 186 L HN 0.298 nan 8.230 nan 0.000 0.438 187 N N 0.657 119.226 118.700 -0.219 0.000 2.230 187 N HA 0.267 5.007 4.740 0.000 0.000 0.202 187 N C -0.123 175.361 175.510 -0.042 0.000 1.119 187 N CA -0.258 52.809 53.050 0.028 0.000 0.851 187 N CB 0.333 38.832 38.487 0.020 0.000 0.990 187 N HN 0.402 nan 8.380 nan 0.000 0.497 188 I N 1.882 122.311 120.570 -0.234 0.000 2.752 188 I HA -0.103 4.067 4.170 0.000 0.000 0.287 188 I C 0.951 177.153 176.117 0.142 0.000 1.188 188 I CA 0.088 61.319 61.300 -0.114 0.000 1.427 188 I CB 0.488 38.340 38.000 -0.247 0.000 1.365 188 I HN 0.286 nan 8.210 nan 0.000 0.585 189 N N 3.848 122.635 118.700 0.145 0.000 2.220 189 N HA 0.319 5.059 4.740 0.000 0.000 0.195 189 N C -0.348 175.278 175.510 0.193 0.000 1.123 189 N CA -0.143 53.032 53.050 0.208 0.000 0.874 189 N CB 0.851 39.425 38.487 0.145 0.000 0.995 189 N HN 0.576 nan 8.380 nan 0.000 0.498 190 A N 0.258 123.189 122.820 0.185 0.000 2.488 190 A HA 0.654 4.974 4.320 0.000 0.000 0.298 190 A C -1.443 176.244 177.584 0.172 0.000 1.044 190 A CA -0.731 51.395 52.037 0.148 0.000 0.693 190 A CB 0.989 20.041 19.000 0.087 0.000 1.272 190 A HN 0.175 nan 8.150 nan 0.000 0.402 191 I N 3.385 124.043 120.570 0.147 0.000 2.330 191 I HA 0.374 4.544 4.170 0.000 0.000 0.289 191 I C 0.333 176.486 176.117 0.060 0.000 1.001 191 I CA -0.650 60.725 61.300 0.125 0.000 1.193 191 I CB 1.076 39.161 38.000 0.142 0.000 1.345 191 I HN 0.590 nan 8.210 nan 0.000 0.461 192 R N 3.236 123.753 120.500 0.029 0.000 2.549 192 R HA 0.319 4.659 4.340 0.000 0.000 0.259 192 R C -0.637 175.631 176.300 -0.053 0.000 1.095 192 R CA -1.046 55.050 56.100 -0.007 0.000 1.148 192 R CB 0.551 30.851 30.300 0.001 0.000 1.181 192 R HN 0.435 nan 8.270 nan 0.000 0.571 193 D N 1.128 121.445 120.400 -0.137 0.000 2.583 193 D HA -0.075 4.565 4.640 0.000 0.000 0.232 193 D C -0.080 176.055 176.300 -0.276 0.000 1.128 193 D CA 1.031 54.790 54.000 -0.402 0.000 0.859 193 D CB -0.063 40.379 40.800 -0.597 0.000 1.169 193 D HN 0.366 nan 8.370 nan 0.000 0.481 194 Y N -0.126 120.224 120.300 0.085 0.000 3.477 194 Y HA -0.265 4.285 4.550 0.000 0.000 0.216 194 Y C 1.622 177.547 175.900 0.040 0.000 1.296 194 Y CA 0.465 58.624 58.100 0.098 0.000 1.535 194 Y CB -2.530 35.950 38.460 0.033 0.000 1.482 194 Y HN 0.278 nan 8.280 nan 0.000 0.597 195 S N -1.212 114.525 115.700 0.062 0.000 2.481 195 S HA 0.099 4.569 4.470 0.000 0.000 0.231 195 S C 0.229 174.521 174.600 -0.513 0.000 0.996 195 S CA 0.617 58.670 58.200 -0.246 0.000 0.942 195 S CB -0.081 62.881 63.200 -0.396 0.000 0.768 195 S HN 0.349 nan 8.310 nan 0.000 0.520 196 F N 1.572 121.592 119.950 0.117 0.000 2.496 196 F HA 0.476 5.003 4.527 0.000 0.000 0.341 196 F C -0.091 175.755 175.800 0.077 0.000 1.134 196 F CA -0.882 57.163 58.000 0.075 0.000 0.968 196 F CB 1.280 40.309 39.000 0.049 0.000 1.205 196 F HN -0.367 nan 8.300 nan 0.000 0.436 197 K N 2.654 123.149 120.400 0.157 0.000 2.345 197 K HA 0.618 4.938 4.320 0.000 0.000 0.255 197 K C 0.055 176.622 176.600 -0.054 0.000 0.934 197 K CA -1.043 55.292 56.287 0.082 0.000 0.801 197 K CB 2.008 34.547 32.500 0.066 0.000 1.137 197 K HN 0.570 nan 8.250 nan 0.000 0.424 198 R N 0.992 121.376 120.500 -0.195 0.000 3.878 198 R HA -0.186 4.154 4.340 0.000 0.000 0.330 198 R C -0.514 175.320 176.300 -0.777 0.000 1.186 198 R CA 0.448 56.159 56.100 -0.649 0.000 0.885 198 R CB -1.886 28.246 30.300 -0.279 0.000 1.377 198 R HN 0.518 nan 8.270 nan 0.000 0.523 199 L N 1.445 122.433 121.223 -0.391 0.000 2.422 199 L HA 0.188 4.528 4.340 0.000 0.000 0.256 199 L C 0.823 177.606 176.870 -0.145 0.000 1.202 199 L CA -0.383 54.324 54.840 -0.222 0.000 1.119 199 L CB -0.032 41.986 42.059 -0.068 0.000 1.383 199 L HN 0.083 nan 8.230 nan 0.000 0.411 200 Y N -0.177 120.162 120.300 0.066 0.000 2.352 200 Y HA -0.063 4.487 4.550 0.000 0.000 0.292 200 Y C 2.093 177.989 175.900 -0.007 0.000 1.136 200 Y CA 0.618 58.736 58.100 0.029 0.000 1.227 200 Y CB -0.134 38.347 38.460 0.035 0.000 0.991 200 Y HN 0.341 nan 8.280 nan 0.000 0.545 201 R N -0.079 120.499 120.500 0.130 0.000 2.362 201 R HA 0.161 4.501 4.340 0.000 0.000 0.227 201 R C -0.095 176.205 176.300 -0.000 0.000 0.905 201 R CA -0.272 55.862 56.100 0.056 0.000 1.067 201 R CB -0.361 29.971 30.300 0.053 0.000 1.078 201 R HN 0.214 nan 8.270 nan 0.000 0.516 202 L N 1.951 123.163 121.223 -0.018 0.000 2.462 202 L HA -0.003 4.337 4.340 0.000 0.000 0.272 202 L C 0.993 177.828 176.870 -0.058 0.000 1.166 202 L CA 0.848 55.656 54.840 -0.054 0.000 0.880 202 L CB 0.639 42.646 42.059 -0.085 0.000 1.142 202 L HN -0.173 nan 8.230 nan 0.000 0.473 203 K N 3.203 123.569 120.400 -0.057 0.000 2.462 203 K HA 0.316 4.636 4.320 0.000 0.000 0.201 203 K C -0.755 175.818 176.600 -0.044 0.000 1.268 203 K CA 0.350 56.608 56.287 -0.047 0.000 0.933 203 K CB 0.740 33.216 32.500 -0.041 0.000 1.162 203 K HN 0.373 nan 8.250 nan 0.000 0.527 204 V N 3.111 122.992 119.914 -0.053 0.000 2.376 204 V HA 0.322 4.442 4.120 0.000 0.000 0.287 204 V C -1.055 175.001 176.094 -0.064 0.000 1.015 204 V CA -0.987 61.287 62.300 -0.043 0.000 0.834 204 V CB 1.643 33.443 31.823 -0.039 0.000 1.001 204 V HN 0.025 nan 8.190 nan 0.000 0.428 205 L N 4.497 125.675 121.223 -0.076 0.000 2.305 205 L HA 0.621 4.961 4.340 0.000 0.000 0.284 205 L C -0.210 176.625 176.870 -0.058 0.000 1.013 205 L CA 0.145 54.921 54.840 -0.108 0.000 0.819 205 L CB 1.464 43.391 42.059 -0.220 0.000 1.227 205 L HN 0.775 nan 8.230 nan 0.000 0.417 206 E N 6.042 126.226 120.200 -0.027 0.000 2.141 206 E HA 0.362 4.712 4.350 0.000 0.000 0.259 206 E C -1.384 175.211 176.600 -0.009 0.000 0.883 206 E CA -0.464 55.936 56.400 0.000 0.000 0.744 206 E CB 0.943 30.666 29.700 0.038 0.000 1.150 206 E HN 0.693 nan 8.360 nan 0.000 0.420 207 I N 3.170 123.677 120.570 -0.105 0.000 2.321 207 I HA 0.233 4.403 4.170 0.000 0.000 0.291 207 I C -0.183 175.798 176.117 -0.226 0.000 0.998 207 I CA -0.288 60.850 61.300 -0.269 0.000 1.227 207 I CB 1.783 39.424 38.000 -0.598 0.000 1.368 207 I HN 0.305 nan 8.210 nan 0.000 0.466 208 S N 4.353 120.011 115.700 -0.068 0.000 2.546 208 S HA 0.445 4.915 4.470 0.000 0.000 0.272 208 S C -0.598 174.159 174.600 0.262 0.000 1.140 208 S CA -0.498 57.749 58.200 0.078 0.000 0.920 208 S CB 0.402 63.710 63.200 0.181 0.000 1.083 208 S HN 0.789 nan 8.310 nan 0.000 0.476 209 H N 0.629 119.730 119.070 0.052 0.000 2.677 209 H HA -0.134 4.422 4.556 0.000 0.000 0.321 209 H C -1.603 173.868 175.328 0.238 0.000 1.171 209 H CA 1.551 57.575 56.048 -0.041 0.000 1.139 209 H CB -1.358 28.013 29.762 -0.651 0.000 1.515 209 H HN 0.430 nan 8.280 nan 0.000 0.423 210 W N 0.927 122.228 121.300 0.001 0.000 2.298 210 W HA 0.345 5.005 4.660 0.000 0.000 0.327 210 W C -1.897 174.610 176.519 -0.019 0.000 0.988 210 W CA -2.730 54.637 57.345 0.037 0.000 1.448 210 W CB 0.460 29.962 29.460 0.069 0.000 1.243 210 W HN 0.102 nan 8.180 nan 0.000 0.388 211 P HA -0.181 nan 4.420 nan 0.000 0.220 211 P C 0.824 177.979 177.300 -0.242 0.000 1.148 211 P CA 1.708 64.684 63.100 -0.207 0.000 0.803 211 P CB 0.212 31.594 31.700 -0.529 0.000 0.782 212 Y N -1.946 118.436 120.300 0.138 0.000 2.478 212 Y HA 0.212 4.762 4.550 0.000 0.000 0.261 212 Y C 1.094 177.073 175.900 0.133 0.000 1.127 212 Y CA -0.787 57.378 58.100 0.108 0.000 1.288 212 Y CB -0.624 37.883 38.460 0.077 0.000 1.084 212 Y HN -0.147 nan 8.280 nan 0.000 0.530 213 L N 3.144 124.558 121.223 0.318 0.000 2.562 213 L HA 0.067 4.407 4.340 0.000 0.000 0.271 213 L C 0.398 177.356 176.870 0.146 0.000 1.167 213 L CA 0.475 55.480 54.840 0.276 0.000 0.917 213 L CB 0.144 42.400 42.059 0.328 0.000 1.187 213 L HN 0.328 nan 8.230 nan 0.000 0.482 214 D N 0.783 121.255 120.400 0.120 0.000 2.497 214 D HA 0.088 4.728 4.640 0.000 0.000 0.256 214 D C -0.476 175.852 176.300 0.047 0.000 1.273 214 D CA -0.062 53.978 54.000 0.067 0.000 0.812 214 D CB 0.155 40.998 40.800 0.071 0.000 1.190 214 D HN 0.412 nan 8.370 nan 0.000 0.524 215 T N 1.218 115.808 114.554 0.060 0.000 2.890 215 T HA 0.501 4.851 4.350 0.000 0.000 0.295 215 T C -0.349 174.375 174.700 0.040 0.000 0.993 215 T CA -0.465 61.661 62.100 0.043 0.000 0.979 215 T CB 1.584 70.482 68.868 0.050 0.000 0.967 215 T HN -0.007 nan 8.240 nan 0.000 0.441 216 M N 3.506 123.114 119.600 0.013 0.000 2.125 216 M HA 0.332 4.812 4.480 0.000 0.000 0.321 216 M C 0.590 176.893 176.300 0.004 0.000 0.983 216 M CA -0.856 54.450 55.300 0.009 0.000 0.934 216 M CB 1.818 34.408 32.600 -0.016 0.000 1.542 216 M HN 0.704 nan 8.290 nan 0.000 0.424 217 T N -0.147 114.410 114.554 0.005 0.000 2.813 217 T HA 0.278 4.628 4.350 0.000 0.000 0.297 217 T C -2.074 172.617 174.700 -0.015 0.000 1.036 217 T CA -1.335 60.758 62.100 -0.012 0.000 1.044 217 T CB 0.488 69.335 68.868 -0.034 0.000 0.993 217 T HN 0.344 nan 8.240 nan 0.000 0.535 218 P HA -0.015 nan 4.420 nan 0.000 0.216 218 P C 0.695 178.001 177.300 0.011 0.000 1.150 218 P CA 0.886 63.987 63.100 0.001 0.000 0.837 218 P CB 0.002 31.706 31.700 0.007 0.000 0.786 219 N N -1.540 117.125 118.700 -0.059 0.000 2.279 219 N HA 0.011 4.751 4.740 0.000 0.000 0.226 219 N C 0.959 176.401 175.510 -0.114 0.000 1.126 219 N CA -0.040 52.957 53.050 -0.088 0.000 0.846 219 N CB -1.019 37.253 38.487 -0.359 0.000 1.050 219 N HN 0.290 nan 8.380 nan 0.000 0.502 220 C N -1.426 117.862 119.300 -0.019 0.000 2.448 220 C HA 0.161 4.621 4.460 0.000 0.000 0.280 220 C C 1.533 176.656 174.990 0.222 0.000 1.398 220 C CA 0.048 59.098 59.018 0.053 0.000 1.774 220 C CB -1.146 26.633 27.740 0.065 0.000 1.888 220 C HN 0.331 nan 8.230 nan 0.000 0.519 221 L N -1.442 119.902 121.223 0.202 0.000 2.728 221 L HA 0.266 4.606 4.340 0.000 0.000 0.238 221 L C 0.640 177.646 176.870 0.227 0.000 1.143 221 L CA -0.611 54.354 54.840 0.207 0.000 0.937 221 L CB -0.745 41.361 42.059 0.078 0.000 1.225 221 L HN 0.300 nan 8.230 nan 0.000 0.507 222 Y N 1.909 122.303 120.300 0.155 0.000 2.969 222 Y HA 0.067 4.617 4.550 0.000 0.000 0.339 222 Y C 1.451 177.459 175.900 0.179 0.000 1.272 222 Y CA 1.583 59.794 58.100 0.185 0.000 1.577 222 Y CB 0.459 39.074 38.460 0.259 0.000 1.234 222 Y HN 0.313 nan 8.280 nan 0.000 0.590 223 G N 3.998 112.504 108.800 -0.491 0.000 2.299 223 G HA2 -0.276 3.684 3.960 0.000 0.000 0.237 223 G HA3 -0.276 3.684 3.960 0.000 0.000 0.237 223 G C -0.074 174.757 174.900 -0.115 0.000 1.027 223 G CA 0.067 44.982 45.100 -0.309 0.000 0.619 223 G HN 0.725 nan 8.290 nan 0.000 0.513 224 L N 0.834 122.023 121.223 -0.057 0.000 2.417 224 L HA 0.487 4.827 4.340 0.000 0.000 0.268 224 L C 0.537 177.385 176.870 -0.038 0.000 1.158 224 L CA -0.443 54.367 54.840 -0.051 0.000 0.819 224 L CB 0.994 42.998 42.059 -0.090 0.000 1.112 224 L HN 0.181 nan 8.230 nan 0.000 0.458 225 N N 3.115 121.795 118.700 -0.033 0.000 2.886 225 N HA 0.332 5.072 4.740 0.000 0.000 0.285 225 N C -0.824 174.676 175.510 -0.016 0.000 1.706 225 N CA -0.258 52.784 53.050 -0.015 0.000 0.904 225 N CB 0.142 38.598 38.487 -0.051 0.000 1.224 225 N HN 0.428 nan 8.380 nan 0.000 0.488 226 L N -0.140 121.079 121.223 -0.007 0.000 2.453 226 L HA 0.341 4.681 4.340 0.000 0.000 0.261 226 L C 1.633 178.523 176.870 0.033 0.000 1.179 226 L CA -0.158 54.675 54.840 -0.012 0.000 0.813 226 L CB 1.039 43.075 42.059 -0.037 0.000 1.110 226 L HN 0.381 nan 8.230 nan 0.000 0.466 227 T N -4.423 110.149 114.554 0.030 0.000 2.955 227 T HA 0.175 4.525 4.350 0.000 0.000 0.251 227 T C 0.578 175.331 174.700 0.089 0.000 1.002 227 T CA -0.171 61.967 62.100 0.064 0.000 0.970 227 T CB 0.424 69.319 68.868 0.045 0.000 1.091 227 T HN 0.351 nan 8.240 nan 0.000 0.495 228 S N 1.240 116.986 115.700 0.077 0.000 2.532 228 S HA 0.778 5.248 4.470 0.000 0.000 0.299 228 S C -1.663 172.994 174.600 0.095 0.000 1.105 228 S CA -0.715 57.580 58.200 0.159 0.000 1.018 228 S CB 2.000 65.287 63.200 0.144 0.000 1.021 228 S HN 0.411 nan 8.310 nan 0.000 0.483 229 L N 2.882 124.164 121.223 0.099 0.000 2.381 229 L HA 0.741 5.081 4.340 0.000 0.000 0.274 229 L C -0.957 175.923 176.870 0.016 0.000 0.988 229 L CA 0.081 54.928 54.840 0.010 0.000 0.824 229 L CB 1.926 43.957 42.059 -0.046 0.000 1.263 229 L HN 0.573 nan 8.230 nan 0.000 0.410 230 S N 5.967 121.671 115.700 0.006 0.000 2.605 230 S HA 0.702 5.172 4.470 0.000 0.000 0.308 230 S C -0.635 173.921 174.600 -0.074 0.000 1.113 230 S CA -0.267 57.934 58.200 0.000 0.000 1.049 230 S CB 0.990 64.243 63.200 0.089 0.000 1.001 230 S HN 0.496 nan 8.310 nan 0.000 0.480 231 I N 3.617 124.122 120.570 -0.107 0.000 2.495 231 I HA 0.306 4.476 4.170 0.000 0.000 0.277 231 I C 0.009 176.052 176.117 -0.123 0.000 1.045 231 I CA -0.289 60.914 61.300 -0.161 0.000 1.135 231 I CB 1.329 39.213 38.000 -0.194 0.000 1.241 231 I HN 0.568 nan 8.210 nan 0.000 0.469 232 T N -0.662 113.842 114.554 -0.084 0.000 2.908 232 T HA 0.476 4.826 4.350 0.000 0.000 0.290 232 T C 0.057 174.735 174.700 -0.036 0.000 1.034 232 T CA -0.723 61.357 62.100 -0.032 0.000 1.010 232 T CB 1.170 70.100 68.868 0.103 0.000 1.068 232 T HN 0.642 nan 8.240 nan 0.000 0.481 233 H N -1.763 117.231 119.070 -0.126 0.000 2.692 233 H HA -0.136 4.420 4.556 0.000 0.000 0.316 233 H C 0.203 175.439 175.328 -0.154 0.000 1.176 233 H CA 0.613 56.522 56.048 -0.231 0.000 1.142 233 H CB -2.308 27.026 29.762 -0.714 0.000 1.475 233 H HN 0.799 nan 8.280 nan 0.000 0.423 234 C N -0.866 118.418 119.300 -0.027 0.000 2.924 234 C HA 0.400 4.860 4.460 0.000 0.000 0.399 234 C C 1.606 176.595 174.990 -0.003 0.000 1.795 234 C CA -0.664 58.357 59.018 0.006 0.000 1.685 234 C CB 1.489 29.213 27.740 -0.027 0.000 2.218 234 C HN 0.696 nan 8.230 nan 0.000 0.474 235 N N 0.414 119.125 118.700 0.018 0.000 2.458 235 N HA 0.348 5.088 4.740 0.000 0.000 0.274 235 N C -0.757 174.755 175.510 0.003 0.000 1.242 235 N CA -0.016 53.041 53.050 0.011 0.000 0.904 235 N CB -0.322 38.183 38.487 0.029 0.000 1.206 235 N HN 0.471 nan 8.380 nan 0.000 0.510 236 L N 0.389 121.598 121.223 -0.023 0.000 2.416 236 L HA 0.155 4.495 4.340 0.000 0.000 0.272 236 L C 1.376 178.218 176.870 -0.046 0.000 1.161 236 L CA 0.179 54.993 54.840 -0.042 0.000 0.845 236 L CB 0.955 42.967 42.059 -0.078 0.000 1.119 236 L HN 0.274 nan 8.230 nan 0.000 0.464 237 T N -1.509 113.021 114.554 -0.040 0.000 3.001 237 T HA 0.465 4.815 4.350 0.000 0.000 0.251 237 T C 0.302 174.975 174.700 -0.046 0.000 1.040 237 T CA 0.136 62.216 62.100 -0.034 0.000 0.985 237 T CB 0.614 69.474 68.868 -0.013 0.000 1.011 237 T HN 0.598 nan 8.240 nan 0.000 0.509 238 A N 0.668 123.443 122.820 -0.076 0.000 2.594 238 A HA 0.727 5.047 4.320 0.000 0.000 0.291 238 A C -0.714 176.729 177.584 -0.236 0.000 1.105 238 A CA -0.766 51.206 52.037 -0.108 0.000 0.694 238 A CB 1.292 20.259 19.000 -0.054 0.000 1.291 238 A HN 0.159 nan 8.150 nan 0.000 0.410 239 V N 2.431 122.077 119.914 -0.447 0.000 2.655 239 V HA 0.241 4.361 4.120 0.000 0.000 0.300 239 V C -1.709 173.945 176.094 -0.733 0.000 1.044 239 V CA -0.568 61.319 62.300 -0.687 0.000 1.095 239 V CB 0.908 32.108 31.823 -1.039 0.000 0.952 239 V HN 0.738 nan 8.190 nan 0.000 0.485 240 P HA 0.103 nan 4.420 nan 0.000 0.237 240 P C 0.042 177.223 177.300 -0.198 0.000 1.788 240 P CA -0.065 62.891 63.100 -0.241 0.000 1.061 240 P CB -0.041 31.569 31.700 -0.151 0.000 1.967 241 Y N 1.018 121.297 120.300 -0.035 0.000 2.070 241 Y HA -0.210 4.340 4.550 0.000 0.000 0.280 241 Y C 2.461 178.326 175.900 -0.058 0.000 1.148 241 Y CA 1.516 59.591 58.100 -0.042 0.000 1.125 241 Y CB -1.330 37.111 38.460 -0.032 0.000 0.975 241 Y HN 0.042 nan 8.280 nan 0.000 0.492 242 L N -0.750 120.543 121.223 0.117 0.000 2.046 242 L HA -0.212 4.128 4.340 0.000 0.000 0.208 242 L C 2.652 179.518 176.870 -0.007 0.000 1.077 242 L CA 1.193 56.050 54.840 0.030 0.000 0.747 242 L CB -0.911 41.168 42.059 0.034 0.000 0.896 242 L HN 0.225 nan 8.230 nan 0.000 0.432 243 A N -0.131 122.688 122.820 -0.001 0.000 1.940 243 A HA -0.172 4.148 4.320 0.000 0.000 0.219 243 A C 2.127 179.712 177.584 0.002 0.000 1.176 243 A CA 2.077 54.116 52.037 0.003 0.000 0.631 243 A CB -0.821 18.172 19.000 -0.012 0.000 0.814 243 A HN 0.363 nan 8.150 nan 0.000 0.446 244 V N -1.603 118.298 119.914 -0.021 0.000 3.647 244 V HA 0.076 4.196 4.120 0.000 0.000 0.279 244 V C 1.819 177.886 176.094 -0.044 0.000 1.314 244 V CA 0.770 63.056 62.300 -0.023 0.000 1.125 244 V CB -0.841 30.962 31.823 -0.033 0.000 0.907 244 V HN 0.683 nan 8.190 nan 0.000 0.434 245 R N -0.150 120.285 120.500 -0.108 0.000 2.293 245 R HA -0.112 4.228 4.340 0.000 0.000 0.219 245 R C 1.458 177.607 176.300 -0.251 0.000 1.091 245 R CA 2.098 58.073 56.100 -0.209 0.000 1.004 245 R CB -0.880 29.249 30.300 -0.285 0.000 0.865 245 R HN 0.669 nan 8.270 nan 0.000 0.469 246 H N 0.171 119.243 119.070 0.003 0.000 2.622 246 H HA 0.268 4.824 4.556 0.000 0.000 0.269 246 H C 0.259 175.592 175.328 0.008 0.000 0.977 246 H CA -0.352 55.699 56.048 0.004 0.000 1.179 246 H CB 0.509 30.276 29.762 0.008 0.000 1.458 246 H HN 0.005 nan 8.280 nan 0.000 0.531 247 L N 1.907 123.184 121.223 0.090 0.000 2.436 247 L HA 0.001 4.341 4.340 0.000 0.000 0.244 247 L C 0.810 177.718 176.870 0.062 0.000 1.396 247 L CA -0.212 54.673 54.840 0.075 0.000 1.217 247 L CB -0.023 42.058 42.059 0.036 0.000 1.420 247 L HN 0.247 nan 8.230 nan 0.000 0.434 248 V N 0.323 120.286 119.914 0.081 0.000 3.078 248 V HA -0.235 3.885 4.120 0.000 0.000 0.265 248 V C 1.212 177.200 176.094 -0.178 0.000 1.122 248 V CA 1.707 63.983 62.300 -0.040 0.000 1.141 248 V CB -0.587 31.214 31.823 -0.037 0.000 0.735 248 V HN 0.642 nan 8.190 nan 0.000 0.498 249 Y N -2.010 118.295 120.300 0.008 0.000 2.500 249 Y HA 0.374 4.924 4.550 0.000 0.000 0.246 249 Y C 0.684 176.589 175.900 0.008 0.000 1.146 249 Y CA -0.985 57.118 58.100 0.005 0.000 1.230 249 Y CB 0.519 38.977 38.460 -0.003 0.000 1.214 249 Y HN 0.106 nan 8.280 nan 0.000 0.526 250 L N 1.558 122.854 121.223 0.122 0.000 2.640 250 L HA -0.101 4.239 4.340 0.000 0.000 0.280 250 L C 1.075 177.992 176.870 0.078 0.000 1.229 250 L CA 1.074 55.964 54.840 0.083 0.000 0.919 250 L CB 0.483 42.567 42.059 0.043 0.000 1.168 250 L HN 0.235 nan 8.230 nan 0.000 0.496 251 R N 3.557 124.120 120.500 0.104 0.000 2.316 251 R HA 0.185 4.525 4.340 0.000 0.000 0.201 251 R C -0.604 175.798 176.300 0.169 0.000 0.888 251 R CA 0.001 56.168 56.100 0.112 0.000 1.041 251 R CB 0.582 30.943 30.300 0.103 0.000 1.115 251 R HN 0.499 nan 8.270 nan 0.000 0.559 252 F N 1.268 121.213 119.950 -0.008 0.000 2.562 252 F HA 0.431 4.958 4.527 0.000 0.000 0.319 252 F C -1.668 174.119 175.800 -0.022 0.000 1.154 252 F CA -1.329 56.661 58.000 -0.016 0.000 0.931 252 F CB 1.494 40.485 39.000 -0.014 0.000 1.198 252 F HN -0.276 nan 8.300 nan 0.000 0.444 253 L N 6.699 127.576 121.223 -0.576 0.000 2.356 253 L HA 0.576 4.916 4.340 0.000 0.000 0.277 253 L C -1.654 174.802 176.870 -0.690 0.000 0.996 253 L CA -0.288 54.274 54.840 -0.462 0.000 0.822 253 L CB 1.474 43.389 42.059 -0.240 0.000 1.256 253 L HN 0.673 nan 8.230 nan 0.000 0.413 254 N N 5.006 123.417 118.700 -0.480 0.000 2.448 254 N HA 0.432 5.172 4.740 0.000 0.000 0.279 254 N C -0.820 174.581 175.510 -0.181 0.000 1.025 254 N CA -0.299 52.548 53.050 -0.339 0.000 0.898 254 N CB 1.382 39.767 38.487 -0.170 0.000 1.303 254 N HN 0.753 nan 8.380 nan 0.000 0.495 255 L N 1.321 122.439 121.223 -0.175 0.000 3.267 255 L HA 0.315 4.655 4.340 0.000 0.000 0.289 255 L C 0.269 177.038 176.870 -0.168 0.000 1.260 255 L CA -0.200 54.548 54.840 -0.153 0.000 1.034 255 L CB 0.373 42.341 42.059 -0.152 0.000 1.413 255 L HN 0.320 nan 8.230 nan 0.000 0.594 256 S N -0.231 115.357 115.700 -0.186 0.000 2.563 256 S HA 0.056 4.526 4.470 0.000 0.000 0.284 256 S C -0.006 174.405 174.600 -0.316 0.000 1.331 256 S CA 0.132 58.125 58.200 -0.344 0.000 1.047 256 S CB -0.072 62.908 63.200 -0.366 0.000 0.859 256 S HN 0.373 nan 8.310 nan 0.000 0.514 257 Y N -0.598 119.536 120.300 -0.277 0.000 3.477 257 Y HA -0.221 4.329 4.550 0.000 0.000 0.216 257 Y C 0.224 175.959 175.900 -0.275 0.000 1.296 257 Y CA 0.010 57.892 58.100 -0.364 0.000 1.535 257 Y CB -2.323 35.659 38.460 -0.797 0.000 1.482 257 Y HN 0.563 nan 8.280 nan 0.000 0.597 258 N N 1.213 119.844 118.700 -0.115 0.000 2.319 258 N HA 0.324 5.064 4.740 0.000 0.000 0.305 258 N C -2.594 172.873 175.510 -0.072 0.000 1.103 258 N CA -1.772 51.228 53.050 -0.083 0.000 0.815 258 N CB 2.121 40.550 38.487 -0.097 0.000 1.288 258 N HN -0.183 nan 8.380 nan 0.000 0.493 259 P HA 0.194 nan 4.420 nan 0.000 0.232 259 P C -0.279 176.995 177.300 -0.042 0.000 1.738 259 P CA 0.216 63.294 63.100 -0.037 0.000 0.948 259 P CB -0.480 31.208 31.700 -0.020 0.000 1.943 260 I N 1.168 121.703 120.570 -0.059 0.000 2.342 260 I HA 0.058 4.228 4.170 0.000 0.000 0.291 260 I C 1.582 177.672 176.117 -0.045 0.000 1.010 260 I CA -0.054 61.211 61.300 -0.059 0.000 1.308 260 I CB 1.333 39.284 38.000 -0.082 0.000 1.400 260 I HN 0.065 nan 8.210 nan 0.000 0.488 261 S N 2.348 118.030 115.700 -0.030 0.000 2.511 261 S HA 0.114 4.584 4.470 0.000 0.000 0.214 261 S C 0.581 175.171 174.600 -0.018 0.000 0.997 261 S CA -0.115 58.071 58.200 -0.022 0.000 0.908 261 S CB 0.317 63.508 63.200 -0.015 0.000 0.803 261 S HN 0.724 nan 8.310 nan 0.000 0.504 262 T N 0.583 115.130 114.554 -0.012 0.000 2.942 262 T HA 0.601 4.951 4.350 0.000 0.000 0.327 262 T C -1.896 172.814 174.700 0.017 0.000 1.360 262 T CA -0.826 61.272 62.100 -0.004 0.000 1.055 262 T CB 1.150 70.019 68.868 0.003 0.000 1.261 262 T HN 0.244 nan 8.240 nan 0.000 0.485 263 I N 3.213 123.782 120.570 -0.000 0.000 2.404 263 I HA 0.459 4.629 4.170 0.000 0.000 0.293 263 I C 0.279 176.383 176.117 -0.022 0.000 0.992 263 I CA -0.832 60.488 61.300 0.032 0.000 1.149 263 I CB 1.922 39.888 38.000 -0.056 0.000 1.315 263 I HN 0.652 nan 8.210 nan 0.000 0.446 264 E N 3.240 123.461 120.200 0.035 0.000 2.248 264 E HA 0.435 4.785 4.350 0.000 0.000 0.272 264 E C 0.161 176.633 176.600 -0.214 0.000 1.008 264 E CA -0.653 55.672 56.400 -0.124 0.000 0.856 264 E CB 1.511 31.104 29.700 -0.178 0.000 1.120 264 E HN 0.745 nan 8.360 nan 0.000 0.397 265 G N 0.336 109.033 108.800 -0.172 0.000 2.442 265 G HA2 0.174 4.134 3.960 0.000 0.000 0.249 265 G HA3 0.174 4.134 3.960 0.000 0.000 0.249 265 G C -0.081 174.751 174.900 -0.113 0.000 1.263 265 G CA -0.250 44.776 45.100 -0.123 0.000 0.846 265 G HN 0.541 nan 8.290 nan 0.000 0.555 266 S N 0.721 116.393 115.700 -0.047 0.000 3.682 266 S HA -0.143 4.327 4.470 0.000 0.000 0.354 266 S C 0.953 175.568 174.600 0.026 0.000 1.034 266 S CA 1.053 59.244 58.200 -0.014 0.000 1.084 266 S CB -0.968 62.212 63.200 -0.034 0.000 0.903 266 S HN 0.664 nan 8.310 nan 0.000 0.470 267 M N -1.122 118.451 119.600 -0.045 0.000 2.289 267 M HA 0.348 4.828 4.480 0.000 0.000 0.335 267 M C 0.727 177.009 176.300 -0.030 0.000 0.961 267 M CA 0.507 55.703 55.300 -0.173 0.000 1.018 267 M CB -0.050 32.034 32.600 -0.860 0.000 1.678 267 M HN 0.393 nan 8.290 nan 0.000 0.589 268 L N -0.102 121.159 121.223 0.062 0.000 3.298 268 L HA 0.142 4.482 4.340 0.000 0.000 0.296 268 L C 1.934 178.791 176.870 -0.021 0.000 1.237 268 L CA -0.054 54.815 54.840 0.049 0.000 1.038 268 L CB -0.103 42.056 42.059 0.167 0.000 1.423 268 L HN 0.278 nan 8.230 nan 0.000 0.605 269 H N -0.959 118.104 119.070 -0.012 0.000 2.521 269 H HA -0.002 4.554 4.556 0.000 0.000 0.286 269 H C 1.052 176.358 175.328 -0.038 0.000 1.034 269 H CA 0.647 56.675 56.048 -0.034 0.000 1.278 269 H CB 0.130 29.861 29.762 -0.051 0.000 1.386 269 H HN 0.318 nan 8.280 nan 0.000 0.567 270 E N 1.420 121.344 120.200 -0.459 0.000 2.208 270 E HA 0.032 4.382 4.350 0.000 0.000 0.193 270 E C 1.071 177.590 176.600 -0.135 0.000 0.988 270 E CA 0.176 56.408 56.400 -0.280 0.000 0.828 270 E CB 0.077 29.588 29.700 -0.314 0.000 0.763 270 E HN 0.533 nan 8.360 nan 0.000 0.478 271 L N 2.376 123.538 121.223 -0.102 0.000 2.391 271 L HA 0.132 4.473 4.340 0.000 0.000 0.249 271 L C 1.336 178.180 176.870 -0.043 0.000 1.308 271 L CA -0.314 54.493 54.840 -0.057 0.000 1.209 271 L CB -0.292 41.751 42.059 -0.026 0.000 1.401 271 L HN -0.051 nan 8.230 nan 0.000 0.416 272 L N 0.186 121.372 121.223 -0.062 0.000 2.191 272 L HA -0.122 4.218 4.340 0.000 0.000 0.212 272 L C 2.292 179.191 176.870 0.048 0.000 1.103 272 L CA 1.437 56.255 54.840 -0.036 0.000 0.769 272 L CB -0.445 41.583 42.059 -0.052 0.000 0.908 272 L HN 0.498 nan 8.230 nan 0.000 0.438 273 R N -0.687 119.822 120.500 0.015 0.000 2.362 273 R HA 0.182 4.522 4.340 0.000 0.000 0.227 273 R C -0.006 176.335 176.300 0.067 0.000 0.905 273 R CA -0.513 55.619 56.100 0.054 0.000 1.067 273 R CB 0.285 30.561 30.300 -0.040 0.000 1.078 273 R HN 0.060 nan 8.270 nan 0.000 0.516 274 L N 1.926 123.175 121.223 0.044 0.000 2.584 274 L HA -0.093 4.247 4.340 0.000 0.000 0.272 274 L C 0.836 177.729 176.870 0.038 0.000 1.195 274 L CA 1.224 56.080 54.840 0.027 0.000 0.920 274 L CB 0.658 42.712 42.059 -0.009 0.000 1.173 274 L HN 0.130 nan 8.230 nan 0.000 0.489 275 Q N 2.413 122.240 119.800 0.045 0.000 2.353 275 Q HA 0.218 4.558 4.340 0.000 0.000 0.240 275 Q C -0.251 175.766 176.000 0.029 0.000 0.868 275 Q CA 0.147 55.983 55.803 0.055 0.000 0.944 275 Q CB 0.950 29.732 28.738 0.073 0.000 1.104 275 Q HN 0.710 nan 8.270 nan 0.000 0.531 276 E N 0.767 120.977 120.200 0.016 0.000 2.287 276 E HA 0.394 4.744 4.350 0.000 0.000 0.274 276 E C -1.581 174.908 176.600 -0.184 0.000 0.896 276 E CA -0.292 56.104 56.400 -0.007 0.000 0.788 276 E CB 1.399 31.212 29.700 0.188 0.000 1.244 276 E HN 0.045 nan 8.360 nan 0.000 0.408 277 I N 4.085 124.532 120.570 -0.204 0.000 2.410 277 I HA 0.253 4.423 4.170 0.000 0.000 0.286 277 I C -0.515 175.473 176.117 -0.214 0.000 1.009 277 I CA -0.834 60.308 61.300 -0.264 0.000 1.111 277 I CB 1.682 39.542 38.000 -0.235 0.000 1.262 277 I HN 0.385 nan 8.210 nan 0.000 0.443 278 Q N 7.316 126.939 119.800 -0.294 0.000 2.307 278 Q HA 0.557 4.897 4.340 0.000 0.000 0.262 278 Q C -0.687 175.207 176.000 -0.176 0.000 0.961 278 Q CA -0.457 55.233 55.803 -0.189 0.000 0.882 278 Q CB 3.091 31.731 28.738 -0.164 0.000 1.264 278 Q HN 0.624 nan 8.270 nan 0.000 0.446 279 L N 2.904 124.040 121.223 -0.144 0.000 2.435 279 L HA 0.223 4.563 4.340 0.000 0.000 0.259 279 L C -0.667 176.078 176.870 -0.209 0.000 1.563 279 L CA -0.517 54.223 54.840 -0.167 0.000 0.789 279 L CB 1.276 43.275 42.059 -0.101 0.000 0.989 279 L HN 0.433 nan 8.230 nan 0.000 0.522 280 V N -0.786 118.935 119.914 -0.322 0.000 2.716 280 V HA 0.855 4.975 4.120 0.000 0.000 0.304 280 V C 1.149 176.845 176.094 -0.665 0.000 1.053 280 V CA 0.714 62.783 62.300 -0.385 0.000 0.984 280 V CB 1.441 33.084 31.823 -0.300 0.000 1.021 280 V HN 0.745 nan 8.190 nan 0.000 0.467 281 G N 2.345 110.880 108.800 -0.442 0.000 2.203 281 G HA2 -0.136 3.824 3.960 0.000 0.000 0.263 281 G HA3 -0.136 3.824 3.960 0.000 0.000 0.263 281 G C 0.645 175.392 174.900 -0.255 0.000 1.012 281 G CA 0.690 45.576 45.100 -0.358 0.000 0.749 281 G HN 1.783 nan 8.290 nan 0.000 0.512 282 G N -1.407 107.255 108.800 -0.231 0.000 2.546 282 G HA2 0.490 4.450 3.960 0.000 0.000 0.239 282 G HA3 0.490 4.450 3.960 0.000 0.000 0.239 282 G C 0.483 175.333 174.900 -0.083 0.000 1.476 282 G CA 0.279 45.293 45.100 -0.144 0.000 1.064 282 G HN 0.441 nan 8.290 nan 0.000 0.561 283 Q N -0.692 119.070 119.800 -0.063 0.000 2.141 283 Q HA 0.310 4.650 4.340 0.000 0.000 0.248 283 Q C -0.048 175.930 176.000 -0.037 0.000 0.834 283 Q CA -0.305 55.473 55.803 -0.042 0.000 1.096 283 Q CB 0.546 29.266 28.738 -0.030 0.000 1.189 283 Q HN 0.277 nan 8.270 nan 0.000 0.471 284 L N 0.545 121.742 121.223 -0.043 0.000 2.601 284 L HA -0.042 4.298 4.340 0.000 0.000 0.277 284 L C 0.954 177.809 176.870 -0.023 0.000 1.219 284 L CA 0.206 55.027 54.840 -0.032 0.000 0.915 284 L CB 0.496 42.537 42.059 -0.030 0.000 1.160 284 L HN 0.317 nan 8.230 nan 0.000 0.494 285 A N 4.120 126.928 122.820 -0.019 0.000 2.192 285 A HA 0.418 4.738 4.320 0.000 0.000 0.208 285 A C 0.252 177.829 177.584 -0.012 0.000 1.220 285 A CA 0.133 52.161 52.037 -0.014 0.000 0.900 285 A CB 0.733 19.725 19.000 -0.013 0.000 0.937 285 A HN 0.421 nan 8.150 nan 0.000 0.487 286 V N 0.367 120.271 119.914 -0.017 0.000 2.733 286 V HA 0.431 4.551 4.120 0.000 0.000 0.306 286 V C -1.058 175.011 176.094 -0.041 0.000 1.084 286 V CA -0.723 61.562 62.300 -0.024 0.000 0.905 286 V CB 1.647 33.453 31.823 -0.029 0.000 1.010 286 V HN -0.042 nan 8.190 nan 0.000 0.424 287 V N 3.175 123.056 119.914 -0.056 0.000 2.328 287 V HA 0.360 4.480 4.120 0.000 0.000 0.278 287 V C 0.303 176.306 176.094 -0.152 0.000 1.021 287 V CA -0.423 61.802 62.300 -0.125 0.000 0.838 287 V CB 1.214 32.955 31.823 -0.136 0.000 0.999 287 V HN 0.955 nan 8.190 nan 0.000 0.447 288 E N 6.113 126.213 120.200 -0.167 0.000 2.383 288 E HA 0.228 4.578 4.350 0.000 0.000 0.264 288 E C -2.340 174.157 176.600 -0.171 0.000 1.050 288 E CA -1.592 54.722 56.400 -0.143 0.000 0.896 288 E CB 0.758 30.386 29.700 -0.120 0.000 0.982 288 E HN 0.454 nan 8.360 nan 0.000 0.424 289 P HA -0.161 nan 4.420 nan 0.000 0.264 289 P C -0.841 176.453 177.300 -0.010 0.000 1.179 289 P CA 0.745 63.788 63.100 -0.096 0.000 0.763 289 P CB 0.160 31.772 31.700 -0.147 0.000 0.806 290 Y N -0.271 119.910 120.300 -0.199 0.000 4.668 290 Y HA -0.292 4.258 4.550 0.000 0.000 0.234 290 Y C 1.832 177.596 175.900 -0.226 0.000 1.056 290 Y CA 0.462 58.461 58.100 -0.168 0.000 2.025 290 Y CB -2.620 35.761 38.460 -0.131 0.000 1.613 290 Y HN 0.469 nan 8.280 nan 0.000 0.653 291 A N -0.594 122.063 122.820 -0.273 0.000 1.940 291 A HA -0.077 4.243 4.320 0.000 0.000 0.219 291 A C 1.364 178.652 177.584 -0.493 0.000 1.176 291 A CA 1.998 53.716 52.037 -0.531 0.000 0.631 291 A CB -0.555 17.868 19.000 -0.961 0.000 0.814 291 A HN 0.298 nan 8.150 nan 0.000 0.446 292 F N -1.006 118.891 119.950 -0.088 0.000 2.735 292 F HA 0.404 4.931 4.527 0.000 0.000 0.304 292 F C 0.602 176.384 175.800 -0.030 0.000 1.119 292 F CA -1.303 56.665 58.000 -0.053 0.000 1.280 292 F CB -0.313 38.651 39.000 -0.060 0.000 0.994 292 F HN -0.043 nan 8.300 nan 0.000 0.520 293 R N 0.799 121.310 120.500 0.018 0.000 2.583 293 R HA 0.352 4.692 4.340 0.000 0.000 0.274 293 R C 1.414 177.732 176.300 0.031 0.000 0.998 293 R CA 1.195 57.252 56.100 -0.071 0.000 1.081 293 R CB -0.199 29.893 30.300 -0.347 0.000 0.940 293 R HN 0.567 nan 8.270 nan 0.000 0.413 294 G N 2.728 111.525 108.800 -0.006 0.000 2.225 294 G HA2 -0.271 3.689 3.960 0.000 0.000 0.254 294 G HA3 -0.271 3.689 3.960 0.000 0.000 0.254 294 G C -0.359 174.404 174.900 -0.228 0.000 0.988 294 G CA 0.176 45.183 45.100 -0.154 0.000 0.625 294 G HN 0.455 nan 8.290 nan 0.000 0.527 295 L N 2.087 123.231 121.223 -0.131 0.000 2.512 295 L HA 0.444 4.784 4.340 0.000 0.000 0.247 295 L C 1.195 177.942 176.870 -0.204 0.000 1.204 295 L CA -0.330 54.451 54.840 -0.099 0.000 1.153 295 L CB 0.436 42.516 42.059 0.035 0.000 1.415 295 L HN 0.100 nan 8.230 nan 0.000 0.406 296 N N 0.650 119.056 118.700 -0.491 0.000 2.364 296 N HA -0.166 4.574 4.740 0.000 0.000 0.183 296 N C 0.479 175.611 175.510 -0.631 0.000 1.022 296 N CA 1.192 53.830 53.050 -0.688 0.000 0.883 296 N CB -0.069 37.786 38.487 -1.053 0.000 0.965 296 N HN 0.435 nan 8.380 nan 0.000 0.438 297 Y N -0.502 119.770 120.300 -0.047 0.000 2.636 297 Y HA 0.349 4.899 4.550 0.000 0.000 0.260 297 Y C 0.053 175.938 175.900 -0.025 0.000 1.177 297 Y CA -1.177 56.905 58.100 -0.030 0.000 1.209 297 Y CB -0.111 38.328 38.460 -0.036 0.000 1.166 297 Y HN -0.084 nan 8.280 nan 0.000 0.531 298 L N 1.693 122.947 121.223 0.052 0.000 2.530 298 L HA 0.171 4.511 4.340 0.000 0.000 0.273 298 L C 0.939 177.814 176.870 0.008 0.000 1.141 298 L CA 0.702 55.547 54.840 0.009 0.000 0.905 298 L CB 0.397 42.434 42.059 -0.036 0.000 1.202 298 L HN 0.218 nan 8.230 nan 0.000 0.473 299 R N 2.856 123.363 120.500 0.013 0.000 2.167 299 R HA 0.295 4.635 4.340 0.000 0.000 0.201 299 R C -0.511 175.784 176.300 -0.008 0.000 1.024 299 R CA 0.229 56.333 56.100 0.007 0.000 1.053 299 R CB 0.539 30.855 30.300 0.028 0.000 0.987 299 R HN 0.451 nan 8.270 nan 0.000 0.493 300 V N 2.119 122.032 119.914 -0.001 0.000 2.525 300 V HA 0.337 4.457 4.120 0.000 0.000 0.299 300 V C -1.345 174.745 176.094 -0.005 0.000 1.034 300 V CA -0.882 61.425 62.300 0.011 0.000 0.863 300 V CB 1.998 33.846 31.823 0.042 0.000 0.999 300 V HN 0.009 nan 8.190 nan 0.000 0.423 301 L N 4.609 125.848 121.223 0.026 0.000 2.381 301 L HA 0.711 5.051 4.340 0.000 0.000 0.274 301 L C -0.766 176.139 176.870 0.059 0.000 0.988 301 L CA -0.041 54.824 54.840 0.042 0.000 0.824 301 L CB 1.907 44.059 42.059 0.155 0.000 1.263 301 L HN 0.626 nan 8.230 nan 0.000 0.410 302 N N 3.712 122.425 118.700 0.022 0.000 2.479 302 N HA 0.419 5.159 4.740 0.000 0.000 0.261 302 N C -0.376 175.127 175.510 -0.011 0.000 0.979 302 N CA -0.334 52.723 53.050 0.012 0.000 0.930 302 N CB 1.629 40.117 38.487 0.002 0.000 1.172 302 N HN 0.460 nan 8.380 nan 0.000 0.499 303 V N 0.877 120.791 119.914 0.001 0.000 2.988 303 V HA 0.375 4.495 4.120 0.000 0.000 0.356 303 V C 0.756 176.819 176.094 -0.050 0.000 1.380 303 V CA -0.770 61.519 62.300 -0.020 0.000 1.184 303 V CB -0.168 31.673 31.823 0.030 0.000 1.204 303 V HN 0.485 nan 8.190 nan 0.000 0.530 304 S N 1.909 117.572 115.700 -0.061 0.000 2.552 304 S HA 0.430 4.900 4.470 0.000 0.000 0.289 304 S C 1.433 175.982 174.600 -0.085 0.000 1.304 304 S CA 1.340 59.499 58.200 -0.068 0.000 1.063 304 S CB 0.082 63.251 63.200 -0.052 0.000 0.848 304 S HN 2.303 nan 8.310 nan 0.000 0.499 305 G N 4.094 112.854 108.800 -0.067 0.000 2.212 305 G HA2 -0.196 3.764 3.960 0.000 0.000 0.255 305 G HA3 -0.196 3.764 3.960 0.000 0.000 0.255 305 G C 0.064 174.924 174.900 -0.067 0.000 1.062 305 G CA 0.119 45.185 45.100 -0.058 0.000 0.815 305 G HN 0.692 nan 8.290 nan 0.000 0.497 306 N N -0.944 117.719 118.700 -0.061 0.000 3.040 306 N HA 0.442 5.183 4.740 0.000 0.000 0.339 306 N C 0.733 176.221 175.510 -0.037 0.000 1.387 306 N CA -0.546 52.471 53.050 -0.053 0.000 0.745 306 N CB 0.519 38.974 38.487 -0.053 0.000 1.237 306 N HN 0.249 nan 8.380 nan 0.000 0.565 307 Q N 0.490 120.272 119.800 -0.030 0.000 2.110 307 Q HA 0.381 4.721 4.340 0.000 0.000 0.232 307 Q C -0.639 175.351 176.000 -0.017 0.000 0.810 307 Q CA -0.185 55.604 55.803 -0.023 0.000 1.083 307 Q CB 0.512 29.238 28.738 -0.020 0.000 1.193 307 Q HN 0.341 nan 8.270 nan 0.000 0.471 308 L N 1.075 122.289 121.223 -0.015 0.000 2.490 308 L HA 0.032 4.372 4.340 0.000 0.000 0.274 308 L C 1.532 178.402 176.870 0.000 0.000 1.201 308 L CA 0.484 55.322 54.840 -0.002 0.000 0.869 308 L CB 0.537 42.602 42.059 0.009 0.000 1.123 308 L HN 0.257 nan 8.230 nan 0.000 0.484 309 T N -2.598 111.961 114.554 0.008 0.000 3.014 309 T HA 0.088 4.438 4.350 0.000 0.000 0.250 309 T C 0.638 175.360 174.700 0.035 0.000 1.060 309 T CA 0.164 62.270 62.100 0.010 0.000 1.040 309 T CB 0.429 69.297 68.868 0.001 0.000 0.971 309 T HN 0.606 nan 8.240 nan 0.000 0.497 310 T N 0.292 114.879 114.554 0.055 0.000 2.821 310 T HA 0.616 4.966 4.350 0.000 0.000 0.306 310 T C -2.499 172.280 174.700 0.132 0.000 1.313 310 T CA -0.717 61.444 62.100 0.102 0.000 1.012 310 T CB 1.793 70.724 68.868 0.105 0.000 1.298 310 T HN 0.176 nan 8.240 nan 0.000 0.502 311 L N 2.910 124.266 121.223 0.222 0.000 2.485 311 L HA 0.527 4.867 4.340 0.000 0.000 0.260 311 L C -0.273 176.897 176.870 0.499 0.000 0.998 311 L CA -0.205 54.821 54.840 0.311 0.000 0.883 311 L CB 1.276 43.553 42.059 0.363 0.000 1.196 311 L HN 0.689 nan 8.230 nan 0.000 0.443 312 E N 2.183 122.561 120.200 0.297 0.000 2.373 312 E HA -0.009 4.341 4.350 0.000 0.000 0.267 312 E C 0.420 177.082 176.600 0.103 0.000 1.032 312 E CA 0.103 56.641 56.400 0.230 0.000 0.889 312 E CB 1.230 30.978 29.700 0.079 0.000 0.984 312 E HN 0.627 nan 8.360 nan 0.000 0.425 313 E N 1.584 121.647 120.200 -0.228 0.000 2.153 313 E HA -0.190 4.160 4.350 0.000 0.000 0.194 313 E C 1.635 178.082 176.600 -0.255 0.000 0.988 313 E CA 1.319 57.280 56.400 -0.732 0.000 0.811 313 E CB 0.120 29.189 29.700 -1.051 0.000 0.746 313 E HN 0.505 nan 8.360 nan 0.000 0.466 314 S N -0.032 115.588 115.700 -0.134 0.000 2.547 314 S HA -0.101 4.369 4.470 0.000 0.000 0.235 314 S C 1.994 176.602 174.600 0.013 0.000 0.980 314 S CA 0.812 58.997 58.200 -0.025 0.000 0.941 314 S CB -0.232 62.959 63.200 -0.015 0.000 0.763 314 S HN 0.312 nan 8.310 nan 0.000 0.532 315 V N -2.221 117.629 119.914 -0.107 0.000 2.809 315 V HA 0.279 4.399 4.120 0.000 0.000 0.256 315 V C 0.549 176.476 176.094 -0.279 0.000 1.080 315 V CA 0.254 62.385 62.300 -0.281 0.000 1.102 315 V CB -1.205 30.324 31.823 -0.490 0.000 0.705 315 V HN 0.345 nan 8.190 nan 0.000 0.475 316 F N 0.120 120.119 119.950 0.082 0.000 2.399 316 F HA 0.524 5.051 4.527 0.000 0.000 0.328 316 F C 1.630 177.442 175.800 0.021 0.000 1.084 316 F CA -0.415 57.664 58.000 0.132 0.000 1.053 316 F CB 0.692 39.729 39.000 0.063 0.000 1.209 316 F HN -0.058 nan 8.300 nan 0.000 0.502 317 H N 0.866 120.035 119.070 0.166 0.000 2.276 317 H HA 0.007 4.563 4.556 0.000 0.000 0.307 317 H C 0.292 175.613 175.328 -0.011 0.000 1.061 317 H CA 1.595 57.640 56.048 -0.005 0.000 1.336 317 H CB 0.233 29.957 29.762 -0.062 0.000 1.396 317 H HN 0.441 nan 8.280 nan 0.000 0.503 318 S N 1.168 116.978 115.700 0.184 0.000 2.667 318 S HA 0.302 4.772 4.470 0.000 0.000 0.304 318 S C 1.061 175.664 174.600 0.004 0.000 1.135 318 S CA -0.558 57.681 58.200 0.065 0.000 1.125 318 S CB 1.281 64.525 63.200 0.074 0.000 0.996 318 S HN 0.108 nan 8.310 nan 0.000 0.474 319 V N 3.499 123.382 119.914 -0.051 0.000 2.720 319 V HA -0.035 4.085 4.120 0.000 0.000 0.256 319 V C 2.668 178.726 176.094 -0.060 0.000 1.082 319 V CA 2.040 64.269 62.300 -0.119 0.000 1.101 319 V CB -1.637 30.102 31.823 -0.141 0.000 0.693 319 V HN 0.881 nan 8.190 nan 0.000 0.479 320 G N 0.713 109.494 108.800 -0.032 0.000 2.442 320 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 320 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 320 G C 1.312 176.203 174.900 -0.013 0.000 1.141 320 G CA 0.990 46.081 45.100 -0.014 0.000 0.763 320 G HN 0.566 nan 8.290 nan 0.000 0.554 321 N N -0.372 118.319 118.700 -0.016 0.000 2.353 321 N HA 0.108 4.848 4.740 0.000 0.000 0.185 321 N C 0.232 175.726 175.510 -0.026 0.000 1.098 321 N CA -0.287 52.763 53.050 -0.001 0.000 0.872 321 N CB 0.148 38.652 38.487 0.029 0.000 0.970 321 N HN 0.163 nan 8.380 nan 0.000 0.467 322 L N 1.454 122.632 121.223 -0.074 0.000 2.462 322 L HA 0.033 4.373 4.340 0.000 0.000 0.272 322 L C 1.122 177.949 176.870 -0.072 0.000 1.166 322 L CA 0.819 55.592 54.840 -0.113 0.000 0.880 322 L CB 0.403 42.326 42.059 -0.227 0.000 1.142 322 L HN 0.110 nan 8.230 nan 0.000 0.473 323 E N 1.162 121.328 120.200 -0.056 0.000 2.421 323 E HA 0.171 4.521 4.350 0.000 0.000 0.209 323 E C -0.438 176.127 176.600 -0.058 0.000 0.871 323 E CA 0.257 56.628 56.400 -0.048 0.000 1.064 323 E CB 0.745 30.431 29.700 -0.022 0.000 1.075 323 E HN 0.621 nan 8.360 nan 0.000 0.513 324 T N 1.341 115.872 114.554 -0.038 0.000 3.066 324 T HA 0.347 4.697 4.350 0.000 0.000 0.318 324 T C -1.519 173.197 174.700 0.027 0.000 0.979 324 T CA -0.503 61.591 62.100 -0.009 0.000 1.025 324 T CB 1.342 70.220 68.868 0.017 0.000 1.002 324 T HN -0.111 nan 8.240 nan 0.000 0.453 325 L N 5.393 126.656 121.223 0.067 0.000 2.319 325 L HA 0.637 4.977 4.340 0.000 0.000 0.281 325 L C -1.227 175.765 176.870 0.204 0.000 1.005 325 L CA -0.794 54.130 54.840 0.139 0.000 0.828 325 L CB 0.757 42.900 42.059 0.140 0.000 1.227 325 L HN 0.508 nan 8.230 nan 0.000 0.415 326 I N 7.173 127.808 120.570 0.108 0.000 2.354 326 I HA 0.247 4.417 4.170 0.000 0.000 0.286 326 I C 0.445 176.540 176.117 -0.036 0.000 1.007 326 I CA -0.020 61.303 61.300 0.038 0.000 1.167 326 I CB 1.470 39.490 38.000 0.033 0.000 1.320 326 I HN 0.690 nan 8.210 nan 0.000 0.458 327 L N 4.255 125.381 121.223 -0.161 0.000 2.858 327 L HA 0.112 4.452 4.340 0.000 0.000 0.251 327 L C 0.715 177.462 176.870 -0.205 0.000 1.149 327 L CA -0.220 54.511 54.840 -0.182 0.000 0.955 327 L CB 0.177 42.075 42.059 -0.269 0.000 1.289 327 L HN 0.582 nan 8.230 nan 0.000 0.542 328 D N -0.441 119.833 120.400 -0.211 0.000 2.378 328 D HA -0.071 4.569 4.640 0.000 0.000 0.238 328 D C 0.481 176.718 176.300 -0.106 0.000 1.180 328 D CA 0.334 54.229 54.000 -0.176 0.000 0.895 328 D CB 1.152 41.863 40.800 -0.149 0.000 1.192 328 D HN -0.001 nan 8.370 nan 0.000 0.438 329 S N -0.117 115.532 115.700 -0.085 0.000 3.635 329 S HA -0.171 4.299 4.470 0.000 0.000 0.328 329 S C -0.481 174.086 174.600 -0.054 0.000 1.135 329 S CA 0.294 58.461 58.200 -0.056 0.000 0.942 329 S CB -1.876 61.300 63.200 -0.039 0.000 0.930 329 S HN 0.697 nan 8.310 nan 0.000 0.512 330 N N 1.245 119.907 118.700 -0.064 0.000 2.269 330 N HA 0.339 5.079 4.740 0.000 0.000 0.304 330 N C -2.876 172.608 175.510 -0.043 0.000 1.072 330 N CA -1.541 51.478 53.050 -0.050 0.000 0.802 330 N CB 1.967 40.422 38.487 -0.053 0.000 1.348 330 N HN -0.031 nan 8.380 nan 0.000 0.484 331 P HA 0.119 nan 4.420 nan 0.000 0.231 331 P C -0.111 177.174 177.300 -0.025 0.000 1.756 331 P CA 0.014 63.096 63.100 -0.030 0.000 0.990 331 P CB -0.262 31.421 31.700 -0.028 0.000 1.973 332 L N 0.906 122.119 121.223 -0.017 0.000 2.453 332 L HA 0.222 4.562 4.340 0.000 0.000 0.272 332 L C 1.099 177.963 176.870 -0.011 0.000 1.182 332 L CA -0.452 54.393 54.840 0.009 0.000 0.858 332 L CB 0.260 42.348 42.059 0.048 0.000 1.120 332 L HN 0.158 nan 8.230 nan 0.000 0.474 333 A N 3.260 126.073 122.820 -0.011 0.000 2.302 333 A HA 0.273 4.593 4.320 0.000 0.000 0.295 333 A C 0.044 177.587 177.584 -0.069 0.000 1.235 333 A CA -0.473 51.528 52.037 -0.059 0.000 0.876 333 A CB 0.123 19.098 19.000 -0.041 0.000 1.133 333 A HN 0.869 nan 8.150 nan 0.000 0.533 334 c N 4.071 122.540 118.600 -0.218 0.000 2.615 334 c HA 0.336 4.906 4.570 0.000 0.000 0.503 334 c C 0.569 174.410 174.090 -0.416 0.000 1.039 334 c CA -0.530 55.545 56.329 -0.424 0.000 1.226 334 c CB -2.427 39.557 42.510 -0.877 0.000 1.447 334 c HN 0.926 nan 8.230 nan 0.000 0.572 335 D N -0.345 120.001 120.400 -0.090 0.000 2.616 335 D HA 0.245 4.885 4.640 0.000 0.000 0.260 335 D C 1.317 177.718 176.300 0.170 0.000 1.158 335 D CA -0.686 53.314 54.000 -0.000 0.000 1.085 335 D CB -0.044 40.756 40.800 -0.000 0.000 1.222 335 D HN 0.309 nan 8.370 nan 0.000 0.626 336 c N -1.325 117.360 118.600 0.143 0.000 2.422 336 c HA 0.102 4.672 4.570 0.000 0.000 0.286 336 c C 2.081 176.295 174.090 0.207 0.000 1.412 336 c CA -0.009 56.423 56.329 0.171 0.000 1.786 336 c CB -1.259 41.322 42.510 0.118 0.000 1.835 336 c HN 0.488 nan 8.230 nan 0.000 0.533 337 R N 0.457 121.078 120.500 0.201 0.000 2.285 337 R HA 0.167 4.507 4.340 0.000 0.000 0.213 337 R C 1.543 178.077 176.300 0.389 0.000 1.068 337 R CA 0.807 57.060 56.100 0.256 0.000 1.004 337 R CB -0.179 30.234 30.300 0.188 0.000 0.873 337 R HN 0.584 nan 8.270 nan 0.000 0.467 338 L N -0.087 121.325 121.223 0.315 0.000 2.858 338 L HA 0.078 4.418 4.340 0.000 0.000 0.251 338 L C 1.333 178.223 176.870 0.033 0.000 1.149 338 L CA -0.231 54.736 54.840 0.212 0.000 0.955 338 L CB 0.239 42.500 42.059 0.335 0.000 1.289 338 L HN 0.122 nan 8.230 nan 0.000 0.542 339 L N 1.263 122.555 121.223 0.115 0.000 2.079 339 L HA -0.177 4.163 4.340 0.000 0.000 0.210 339 L C 2.439 179.325 176.870 0.027 0.000 1.081 339 L CA 2.028 56.847 54.840 -0.035 0.000 0.752 339 L CB -0.687 41.422 42.059 0.083 0.000 0.896 339 L HN 0.483 nan 8.230 nan 0.000 0.433 340 W N -1.550 119.774 121.300 0.040 0.000 2.392 340 W HA -0.065 4.595 4.660 0.000 0.000 0.279 340 W C 1.580 178.129 176.519 0.050 0.000 1.225 340 W CA 1.191 58.558 57.345 0.037 0.000 1.233 340 W CB -1.247 28.247 29.460 0.057 0.000 1.122 340 W HN 0.040 nan 8.180 nan 0.000 0.561 341 V N 1.044 120.484 119.914 -0.790 0.000 2.446 341 V HA -0.221 3.899 4.120 0.000 0.000 0.244 341 V C 2.267 178.305 176.094 -0.093 0.000 1.039 341 V CA 1.742 63.666 62.300 -0.626 0.000 1.045 341 V CB -1.217 30.225 31.823 -0.635 0.000 0.681 341 V HN 0.055 nan 8.190 nan 0.000 0.459 342 F N 1.919 121.706 119.950 -0.272 0.000 2.095 342 F HA -0.175 4.352 4.527 0.000 0.000 0.298 342 F C 2.481 178.103 175.800 -0.297 0.000 1.104 342 F CA 1.657 59.398 58.000 -0.431 0.000 1.232 342 F CB -0.255 37.947 39.000 -1.331 0.000 0.987 342 F HN -0.016 nan 8.300 nan 0.000 0.475 343 R N 0.462 120.741 120.500 -0.368 0.000 2.285 343 R HA -0.018 4.323 4.340 0.000 0.000 0.213 343 R C 1.483 177.629 176.300 -0.257 0.000 1.068 343 R CA 0.719 56.612 56.100 -0.346 0.000 1.004 343 R CB -0.611 29.614 30.300 -0.125 0.000 0.873 343 R HN 0.385 nan 8.270 nan 0.000 0.467 344 R N 0.528 120.888 120.500 -0.234 0.000 2.507 344 R HA 0.123 4.463 4.340 0.000 0.000 0.298 344 R C 1.628 177.716 176.300 -0.354 0.000 0.999 344 R CA -0.138 55.835 56.100 -0.212 0.000 1.082 344 R CB 0.359 30.573 30.300 -0.143 0.000 1.246 344 R HN 0.187 nan 8.270 nan 0.000 0.553 345 R N -0.236 120.000 120.500 -0.440 0.000 2.152 345 R HA -0.126 4.214 4.340 0.000 0.000 0.232 345 R C 0.478 176.335 176.300 -0.739 0.000 1.117 345 R CA 1.298 57.095 56.100 -0.506 0.000 0.981 345 R CB -0.203 29.780 30.300 -0.527 0.000 0.870 345 R HN 0.306 nan 8.270 nan 0.000 0.451 346 W N 0.269 121.453 121.300 -0.194 0.000 3.278 346 W HA 0.335 4.995 4.660 0.000 0.000 0.308 346 W C 1.050 177.443 176.519 -0.210 0.000 1.253 346 W CA -0.749 56.498 57.345 -0.163 0.000 1.759 346 W CB 0.558 29.958 29.460 -0.099 0.000 1.093 346 W HN -0.038 nan 8.180 nan 0.000 0.648 347 R N -0.083 120.322 120.500 -0.159 0.000 2.549 347 R HA 0.264 4.604 4.340 0.000 0.000 0.344 347 R C 0.782 176.929 176.300 -0.256 0.000 0.979 347 R CA -0.034 55.978 56.100 -0.148 0.000 1.140 347 R CB 0.154 30.404 30.300 -0.083 0.000 1.377 347 R HN 0.185 nan 8.270 nan 0.000 0.541 348 L N 0.305 121.223 121.223 -0.508 0.000 2.965 348 L HA 0.278 4.618 4.340 0.000 0.000 0.254 348 L C -0.371 176.254 176.870 -0.409 0.000 1.220 348 L CA -0.201 54.343 54.840 -0.494 0.000 1.023 348 L CB 0.177 41.861 42.059 -0.625 0.000 1.355 348 L HN 0.173 nan 8.230 nan 0.000 0.545 349 N N -1.013 117.506 118.700 -0.302 0.000 2.725 349 N HA -0.249 4.491 4.740 0.000 0.000 0.249 349 N C 0.682 176.208 175.510 0.026 0.000 1.103 349 N CA 0.460 53.449 53.050 -0.101 0.000 0.707 349 N CB -1.003 37.461 38.487 -0.037 0.000 1.043 349 N HN 0.158 nan 8.380 nan 0.000 0.553 350 F N 0.250 120.186 119.950 -0.024 0.000 2.046 350 F HA -0.157 4.370 4.527 0.000 0.000 0.297 350 F C 2.083 177.880 175.800 -0.005 0.000 1.123 350 F CA 1.571 59.546 58.000 -0.041 0.000 1.199 350 F CB -0.767 38.187 39.000 -0.077 0.000 0.972 350 F HN 0.196 nan 8.300 nan 0.000 0.474 351 N N -0.445 118.396 118.700 0.234 0.000 1.347 351 N HA -0.333 4.407 4.740 0.000 0.000 0.148 351 N C 1.373 176.969 175.510 0.143 0.000 0.780 351 N CA 1.841 54.986 53.050 0.158 0.000 1.015 351 N CB -1.128 37.422 38.487 0.106 0.000 1.262 351 N HN 0.147 nan 8.380 nan 0.000 0.496 352 R N 0.720 121.278 120.500 0.096 0.000 2.153 352 R HA 0.032 4.372 4.340 0.000 0.000 0.218 352 R C 0.313 176.636 176.300 0.039 0.000 1.072 352 R CA 0.860 57.001 56.100 0.067 0.000 0.990 352 R CB -0.143 30.188 30.300 0.052 0.000 0.889 352 R HN 0.383 nan 8.270 nan 0.000 0.452 353 Q N 1.677 121.498 119.800 0.036 0.000 3.254 353 Q HA 0.068 4.408 4.340 0.000 0.000 0.315 353 Q C -0.658 175.269 176.000 -0.122 0.000 1.405 353 Q CA 0.363 56.152 55.803 -0.023 0.000 0.966 353 Q CB 0.191 28.926 28.738 -0.005 0.000 1.706 353 Q HN 0.026 nan 8.270 nan 0.000 0.525 354 Q N 2.065 121.786 119.800 -0.133 0.000 2.352 354 Q HA 0.177 4.517 4.340 0.000 0.000 0.260 354 Q C -2.089 173.655 176.000 -0.428 0.000 0.976 354 Q CA -1.681 53.948 55.803 -0.290 0.000 0.881 354 Q CB 0.420 29.098 28.738 -0.100 0.000 1.235 354 Q HN 0.293 nan 8.270 nan 0.000 0.419 355 P HA 0.049 nan 4.420 nan 0.000 0.276 355 P C -0.604 176.494 177.300 -0.338 0.000 1.230 355 P CA -0.135 62.547 63.100 -0.697 0.000 0.776 355 P CB 0.574 31.507 31.700 -1.279 0.000 0.888 356 T N 0.178 114.649 114.554 -0.138 0.000 2.824 356 T HA 0.369 4.719 4.350 0.000 0.000 0.280 356 T C -0.018 174.724 174.700 0.070 0.000 0.995 356 T CA -0.627 61.486 62.100 0.022 0.000 1.009 356 T CB 0.043 68.899 68.868 -0.020 0.000 0.955 356 T HN 0.356 nan 8.240 nan 0.000 0.452 357 c N 2.759 121.443 118.600 0.140 0.000 2.632 357 c HA 0.602 5.172 4.570 0.000 0.000 0.415 357 c C 1.981 176.049 174.090 -0.037 0.000 1.332 357 c CA -0.042 56.314 56.329 0.045 0.000 1.874 357 c CB -0.594 41.901 42.510 -0.025 0.000 2.596 357 c HN 1.129 nan 8.230 nan 0.000 0.590 358 A N 2.773 125.556 122.820 -0.060 0.000 1.956 358 A HA 0.282 4.602 4.320 0.000 0.000 0.212 358 A C 1.022 178.533 177.584 -0.121 0.000 1.188 358 A CA 1.153 53.145 52.037 -0.076 0.000 0.675 358 A CB -0.138 18.828 19.000 -0.057 0.000 0.845 358 A HN 0.898 nan 8.150 nan 0.000 0.455 359 T N -3.542 110.917 114.554 -0.158 0.000 2.883 359 T HA 0.622 4.972 4.350 0.000 0.000 0.296 359 T C -3.373 171.119 174.700 -0.347 0.000 1.117 359 T CA -2.143 59.821 62.100 -0.226 0.000 1.006 359 T CB 2.088 70.861 68.868 -0.158 0.000 1.191 359 T HN -0.030 nan 8.240 nan 0.000 0.508 360 P HA 0.216 nan 4.420 nan 0.000 0.272 360 P C 0.765 177.758 177.300 -0.512 0.000 1.240 360 P CA -0.162 62.650 63.100 -0.480 0.000 0.791 360 P CB 0.709 32.050 31.700 -0.599 0.000 0.978 361 E N 0.199 120.236 120.200 -0.272 0.000 2.147 361 E HA -0.204 4.146 4.350 0.000 0.000 0.199 361 E C 1.624 178.131 176.600 -0.155 0.000 1.005 361 E CA 1.553 57.861 56.400 -0.154 0.000 0.810 361 E CB -0.541 29.141 29.700 -0.030 0.000 0.736 361 E HN 0.596 nan 8.360 nan 0.000 0.460 362 F N -0.447 119.425 119.950 -0.130 0.000 2.604 362 F HA -0.021 4.506 4.527 0.000 0.000 0.298 362 F C 1.815 177.526 175.800 -0.150 0.000 1.131 362 F CA 0.437 58.361 58.000 -0.127 0.000 1.457 362 F CB -0.345 38.577 39.000 -0.131 0.000 1.095 362 F HN -0.131 nan 8.300 nan 0.000 0.574 363 V N -2.188 117.393 119.914 -0.556 0.000 3.380 363 V HA 0.170 4.290 4.120 0.000 0.000 0.307 363 V C 0.746 176.718 176.094 -0.204 0.000 1.434 363 V CA -0.425 61.677 62.300 -0.331 0.000 1.075 363 V CB -0.959 30.587 31.823 -0.463 0.000 0.954 363 V HN 0.397 nan 8.190 nan 0.000 0.444 364 Q N 1.512 121.191 119.800 -0.202 0.000 2.269 364 Q HA 0.311 4.651 4.340 0.000 0.000 0.300 364 Q C 1.361 177.314 176.000 -0.078 0.000 1.070 364 Q CA 1.582 57.307 55.803 -0.130 0.000 0.957 364 Q CB 0.265 28.938 28.738 -0.108 0.000 1.131 364 Q HN 1.041 nan 8.270 nan 0.000 0.377 365 G N 3.688 112.452 108.800 -0.060 0.000 2.241 365 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 365 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 365 G C -0.127 174.747 174.900 -0.044 0.000 0.998 365 G CA 0.121 45.196 45.100 -0.042 0.000 0.621 365 G HN 0.576 nan 8.290 nan 0.000 0.519 366 K N 1.419 121.781 120.400 -0.063 0.000 2.350 366 K HA 0.384 4.704 4.320 0.000 0.000 0.279 366 K C 0.420 176.995 176.600 -0.043 0.000 1.027 366 K CA -0.041 56.166 56.287 -0.133 0.000 0.969 366 K CB 0.796 33.111 32.500 -0.308 0.000 0.954 366 K HN 0.479 nan 8.250 nan 0.000 0.474 367 E N 1.365 121.533 120.200 -0.054 0.000 2.314 367 E HA 0.084 4.434 4.350 0.000 0.000 0.262 367 E C 0.536 177.289 176.600 0.255 0.000 1.093 367 E CA -0.312 56.153 56.400 0.109 0.000 0.908 367 E CB 0.565 30.294 29.700 0.050 0.000 1.091 367 E HN 0.472 nan 8.360 nan 0.000 0.425 368 F N 1.188 121.228 119.950 0.151 0.000 2.134 368 F HA -0.188 4.339 4.527 0.000 0.000 0.299 368 F C 2.359 178.359 175.800 0.334 0.000 1.097 368 F CA 0.954 59.212 58.000 0.431 0.000 1.264 368 F CB -0.008 39.154 39.000 0.270 0.000 1.001 368 F HN 0.457 nan 8.300 nan 0.000 0.479 369 K N -0.173 120.393 120.400 0.277 0.000 2.360 369 K HA -0.180 4.140 4.320 0.000 0.000 0.201 369 K C 0.888 177.668 176.600 0.300 0.000 1.046 369 K CA 1.809 58.234 56.287 0.229 0.000 0.940 369 K CB -0.337 32.341 32.500 0.297 0.000 0.748 369 K HN 0.164 nan 8.250 nan 0.000 0.465 370 D N 0.433 120.894 120.400 0.102 0.000 2.277 370 D HA 0.015 4.655 4.640 0.000 0.000 0.208 370 D C 0.082 176.371 176.300 -0.017 0.000 0.962 370 D CA 0.525 54.498 54.000 -0.044 0.000 0.865 370 D CB -0.084 40.563 40.800 -0.255 0.000 0.939 370 D HN 0.108 nan 8.370 nan 0.000 0.510 371 F N 1.886 121.995 119.950 0.265 0.000 2.410 371 F HA 0.237 4.764 4.527 0.000 0.000 0.334 371 F C -1.303 174.665 175.800 0.280 0.000 1.134 371 F CA -2.054 56.096 58.000 0.250 0.000 1.227 371 F CB -0.187 38.975 39.000 0.269 0.000 1.194 371 F HN -0.184 nan 8.300 nan 0.000 0.571 372 P HA 0.066 nan 4.420 nan 0.000 0.274 372 P C -0.124 177.388 177.300 0.354 0.000 1.246 372 P CA -0.236 63.037 63.100 0.290 0.000 0.795 372 P CB 0.916 32.711 31.700 0.159 0.000 1.006 373 D N -0.750 119.802 120.400 0.254 0.000 2.269 373 D HA -0.014 4.626 4.640 0.000 0.000 0.208 373 D C 0.503 176.916 176.300 0.188 0.000 0.963 373 D CA 0.860 54.988 54.000 0.213 0.000 0.864 373 D CB 0.033 40.913 40.800 0.133 0.000 0.936 373 D HN 0.112 nan 8.370 nan 0.000 0.505 374 V N 1.891 121.891 119.914 0.143 0.000 2.686 374 V HA 0.047 4.167 4.120 0.000 0.000 0.295 374 V C 0.857 177.006 176.094 0.092 0.000 1.055 374 V CA -0.479 61.877 62.300 0.092 0.000 1.050 374 V CB 1.280 33.129 31.823 0.044 0.000 0.984 374 V HN -0.006 nan 8.190 nan 0.000 0.482 375 L N 5.195 126.464 121.223 0.076 0.000 2.433 375 L HA 0.283 4.623 4.340 0.000 0.000 0.275 375 L C -0.075 176.779 176.870 -0.027 0.000 1.128 375 L CA 0.141 55.007 54.840 0.043 0.000 0.875 375 L CB 0.126 42.227 42.059 0.069 0.000 1.171 375 L HN 0.472 nan 8.230 nan 0.000 0.463 376 L N 5.393 126.530 121.223 -0.144 0.000 2.379 376 L HA 0.428 4.768 4.340 0.000 0.000 0.269 376 L C -2.066 174.805 176.870 0.001 0.000 1.084 376 L CA -2.184 52.509 54.840 -0.245 0.000 0.802 376 L CB 0.972 42.561 42.059 -0.783 0.000 1.175 376 L HN 0.325 nan 8.230 nan 0.000 0.448 377 P HA 0.025 nan 4.420 nan 0.000 0.263 377 P C -0.263 177.181 177.300 0.241 0.000 1.195 377 P CA 0.313 63.481 63.100 0.114 0.000 0.762 377 P CB 0.191 31.912 31.700 0.036 0.000 0.799 378 N N -0.203 118.607 118.700 0.184 0.000 2.815 378 N HA -0.233 4.507 4.740 0.000 0.000 0.247 378 N C -0.633 175.041 175.510 0.273 0.000 1.030 378 N CA 1.099 54.270 53.050 0.202 0.000 0.881 378 N CB -2.004 36.569 38.487 0.143 0.000 1.134 378 N HN 0.540 nan 8.380 nan 0.000 0.582 379 Y N 0.330 120.664 120.300 0.058 0.000 2.336 379 Y HA 0.269 4.819 4.550 0.000 0.000 0.335 379 Y C 0.978 176.765 175.900 -0.190 0.000 1.046 379 Y CA -0.759 57.232 58.100 -0.182 0.000 1.198 379 Y CB 0.294 38.618 38.460 -0.226 0.000 1.182 379 Y HN -0.035 nan 8.280 nan 0.000 0.502 380 F N 0.580 120.404 119.950 -0.209 0.000 3.090 380 F HA -0.261 4.266 4.527 0.000 0.000 0.282 380 F C 0.609 176.361 175.800 -0.081 0.000 0.923 380 F CA 0.902 58.773 58.000 -0.215 0.000 0.977 380 F CB -2.125 36.657 39.000 -0.362 0.000 0.954 380 F HN 0.474 nan 8.300 nan 0.000 0.695 381 T N -3.418 111.181 114.554 0.074 0.000 2.942 381 T HA 0.844 5.195 4.350 0.000 0.000 0.289 381 T C -0.124 174.606 174.700 0.051 0.000 1.044 381 T CA -0.667 61.478 62.100 0.076 0.000 1.023 381 T CB 2.473 71.385 68.868 0.073 0.000 1.123 381 T HN 0.151 nan 8.240 nan 0.000 0.512 382 c N 0.633 119.262 118.600 0.049 0.000 2.707 382 c HA 0.667 5.237 4.570 0.000 0.000 0.313 382 c C 0.224 174.331 174.090 0.028 0.000 1.209 382 c CA -1.100 55.249 56.329 0.034 0.000 1.635 382 c CB 1.428 43.961 42.510 0.037 0.000 2.206 382 c HN 0.947 nan 8.230 nan 0.000 0.485 383 R N 1.465 121.976 120.500 0.019 0.000 2.216 383 R HA 0.352 4.692 4.340 0.000 0.000 0.332 383 R C -0.098 176.207 176.300 0.009 0.000 1.056 383 R CA -0.199 55.909 56.100 0.014 0.000 0.901 383 R CB 0.555 30.862 30.300 0.011 0.000 1.039 383 R HN 0.621 nan 8.270 nan 0.000 0.456 384 R N 1.448 121.952 120.500 0.007 0.000 2.698 384 R HA 0.043 4.383 4.340 0.000 0.000 0.266 384 R C 0.225 176.521 176.300 -0.008 0.000 1.026 384 R CA -0.020 56.080 56.100 -0.000 0.000 1.102 384 R CB 0.424 30.723 30.300 -0.002 0.000 0.978 384 R HN 0.600 nan 8.270 nan 0.000 0.436 385 A N 3.483 126.294 122.820 -0.015 0.000 2.520 385 A HA 0.108 4.428 4.320 0.000 0.000 0.245 385 A C -0.086 177.481 177.584 -0.028 0.000 1.072 385 A CA 0.330 52.353 52.037 -0.023 0.000 0.761 385 A CB 0.214 19.194 19.000 -0.033 0.000 1.004 385 A HN 0.693 nan 8.150 nan 0.000 0.499 386 R N 2.258 122.742 120.500 -0.027 0.000 2.533 386 R HA 0.330 4.670 4.340 0.000 0.000 0.288 386 R C -0.883 175.399 176.300 -0.031 0.000 1.039 386 R CA -0.780 55.303 56.100 -0.029 0.000 0.909 386 R CB 1.534 31.824 30.300 -0.018 0.000 1.195 386 R HN 0.680 nan 8.270 nan 0.000 0.438 387 I N 4.008 124.552 120.570 -0.043 0.000 2.587 387 I HA -0.010 4.160 4.170 0.000 0.000 0.284 387 I C 1.601 177.706 176.117 -0.019 0.000 1.134 387 I CA 0.472 61.747 61.300 -0.042 0.000 1.410 387 I CB 0.465 38.424 38.000 -0.068 0.000 1.392 387 I HN 0.629 nan 8.210 nan 0.000 0.545 388 R N 2.515 123.011 120.500 -0.006 0.000 2.096 388 R HA -0.131 4.209 4.340 0.000 0.000 0.235 388 R C 0.227 176.533 176.300 0.011 0.000 1.127 388 R CA 1.091 57.195 56.100 0.005 0.000 0.968 388 R CB -0.061 30.247 30.300 0.014 0.000 0.861 388 R HN 0.618 nan 8.270 nan 0.000 0.440 389 D N 0.037 120.447 120.400 0.015 0.000 2.329 389 D HA 0.088 4.728 4.640 0.000 0.000 0.232 389 D C 0.378 176.688 176.300 0.016 0.000 1.088 389 D CA -0.286 53.729 54.000 0.024 0.000 0.835 389 D CB 0.907 41.733 40.800 0.044 0.000 1.078 389 D HN -0.135 nan 8.370 nan 0.000 0.495 390 R N 2.893 123.403 120.500 0.017 0.000 2.312 390 R HA 0.099 4.439 4.340 0.000 0.000 0.205 390 R C 0.591 176.906 176.300 0.025 0.000 0.904 390 R CA -0.062 56.045 56.100 0.011 0.000 1.052 390 R CB -0.203 30.102 30.300 0.008 0.000 1.014 390 R HN 0.296 nan 8.270 nan 0.000 0.503 391 K N 1.840 122.264 120.400 0.039 0.000 2.258 391 K HA 0.349 4.669 4.320 0.000 0.000 0.284 391 K C -0.575 176.071 176.600 0.077 0.000 1.051 391 K CA -0.187 56.134 56.287 0.058 0.000 0.923 391 K CB 1.047 33.583 32.500 0.061 0.000 1.046 391 K HN 0.009 nan 8.250 nan 0.000 0.474 392 A N 4.560 127.440 122.820 0.100 0.000 2.537 392 A HA -0.040 4.280 4.320 0.000 0.000 0.260 392 A C 0.093 177.787 177.584 0.183 0.000 1.082 392 A CA 0.200 52.322 52.037 0.142 0.000 0.765 392 A CB -0.076 19.076 19.000 0.253 0.000 1.019 392 A HN 0.868 nan 8.150 nan 0.000 0.507 393 Q N 1.489 121.371 119.800 0.138 0.000 2.300 393 Q HA 0.111 4.451 4.340 0.000 0.000 0.280 393 Q C -0.551 175.630 176.000 0.301 0.000 1.033 393 Q CA 0.553 56.477 55.803 0.202 0.000 0.903 393 Q CB 0.353 29.212 28.738 0.203 0.000 1.195 393 Q HN 0.703 nan 8.270 nan 0.000 0.386 394 Q N 3.133 123.128 119.800 0.326 0.000 2.347 394 Q HA 0.364 4.704 4.340 0.000 0.000 0.265 394 Q C -1.471 174.719 176.000 0.318 0.000 1.024 394 Q CA -0.426 55.589 55.803 0.353 0.000 0.731 394 Q CB 1.921 30.854 28.738 0.324 0.000 1.245 394 Q HN 0.393 nan 8.270 nan 0.000 0.472 395 V N 4.000 124.082 119.914 0.281 0.000 2.444 395 V HA 0.488 4.608 4.120 0.000 0.000 0.294 395 V C -0.617 175.471 176.094 -0.011 0.000 1.022 395 V CA -0.580 61.788 62.300 0.114 0.000 0.850 395 V CB 0.990 32.716 31.823 -0.162 0.000 0.992 395 V HN 0.546 nan 8.190 nan 0.000 0.426 396 F N 3.846 123.833 119.950 0.061 0.000 2.420 396 F HA 0.701 5.228 4.527 0.000 0.000 0.342 396 F C 0.080 175.871 175.800 -0.015 0.000 1.113 396 F CA -0.628 57.400 58.000 0.046 0.000 1.059 396 F CB 1.949 40.945 39.000 -0.008 0.000 1.128 396 F HN 0.301 nan 8.300 nan 0.000 0.475 397 V N 3.681 123.671 119.914 0.126 0.000 2.686 397 V HA 0.376 4.496 4.120 0.000 0.000 0.306 397 V C -1.152 174.971 176.094 0.049 0.000 1.065 397 V CA -0.698 61.623 62.300 0.035 0.000 0.894 397 V CB 1.859 33.672 31.823 -0.016 0.000 1.004 397 V HN 0.597 nan 8.190 nan 0.000 0.424 398 D N 4.387 124.776 120.400 -0.018 0.000 2.383 398 D HA 0.164 4.804 4.640 0.000 0.000 0.252 398 D C 0.312 176.700 176.300 0.146 0.000 1.166 398 D CA 0.446 54.464 54.000 0.029 0.000 0.879 398 D CB 0.910 41.663 40.800 -0.078 0.000 1.164 398 D HN 0.716 nan 8.370 nan 0.000 0.462 399 E N 1.133 121.412 120.200 0.131 0.000 2.568 399 E HA 0.061 4.411 4.350 0.000 0.000 0.262 399 E C 1.053 177.754 176.600 0.168 0.000 0.961 399 E CA 0.743 57.221 56.400 0.130 0.000 0.945 399 E CB 0.158 29.915 29.700 0.096 0.000 0.924 399 E HN 0.698 nan 8.360 nan 0.000 0.467 400 G N 3.260 112.148 108.800 0.147 0.000 2.176 400 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 400 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 400 G C -0.134 174.814 174.900 0.081 0.000 0.979 400 G CA 0.498 45.686 45.100 0.146 0.000 0.641 400 G HN 0.734 nan 8.290 nan 0.000 0.530 401 H N -0.083 119.004 119.070 0.028 0.000 2.495 401 H HA 0.666 5.222 4.556 0.000 0.000 0.350 401 H C 0.592 175.837 175.328 -0.138 0.000 1.202 401 H CA 0.739 56.760 56.048 -0.045 0.000 1.322 401 H CB 1.452 31.193 29.762 -0.035 0.000 1.544 401 H HN 0.138 nan 8.280 nan 0.000 0.565 402 T N 1.406 115.899 114.554 -0.102 0.000 2.837 402 T HA 0.522 4.872 4.350 0.000 0.000 0.285 402 T C -1.040 173.576 174.700 -0.141 0.000 0.984 402 T CA -0.518 61.454 62.100 -0.213 0.000 1.049 402 T CB 0.096 68.769 68.868 -0.327 0.000 0.947 402 T HN 0.294 nan 8.240 nan 0.000 0.472 403 V N 5.462 125.262 119.914 -0.189 0.000 3.012 403 V HA 0.682 4.802 4.120 0.000 0.000 0.307 403 V C -1.924 173.971 176.094 -0.331 0.000 1.166 403 V CA -0.709 61.445 62.300 -0.244 0.000 0.974 403 V CB 2.412 34.073 31.823 -0.270 0.000 1.040 403 V HN 1.074 nan 8.190 nan 0.000 0.428 404 Q N 4.323 123.910 119.800 -0.356 0.000 2.331 404 Q HA 0.673 5.013 4.340 0.000 0.000 0.272 404 Q C -1.849 173.900 176.000 -0.419 0.000 1.062 404 Q CA -0.636 54.957 55.803 -0.351 0.000 0.806 404 Q CB 2.349 31.008 28.738 -0.132 0.000 1.312 404 Q HN 0.486 nan 8.270 nan 0.000 0.431 405 F N 0.873 120.656 119.950 -0.279 0.000 2.379 405 F HA 0.529 5.056 4.527 0.000 0.000 0.332 405 F C -0.028 175.748 175.800 -0.041 0.000 1.096 405 F CA -0.875 57.005 58.000 -0.199 0.000 1.105 405 F CB 1.620 40.377 39.000 -0.404 0.000 1.189 405 F HN 0.345 nan 8.300 nan 0.000 0.515 406 V N 1.997 122.108 119.914 0.329 0.000 2.547 406 V HA 0.499 4.619 4.120 0.000 0.000 0.299 406 V C -0.776 175.546 176.094 0.380 0.000 1.040 406 V CA -0.755 61.719 62.300 0.290 0.000 0.913 406 V CB 1.797 33.725 31.823 0.176 0.000 0.992 406 V HN 0.912 nan 8.190 nan 0.000 0.449 407 c N 6.468 125.277 118.600 0.347 0.000 2.620 407 c HA 0.662 5.232 4.570 0.000 0.000 0.356 407 c C -0.600 173.565 174.090 0.125 0.000 1.082 407 c CA -0.661 55.798 56.329 0.217 0.000 1.293 407 c CB 0.531 43.138 42.510 0.162 0.000 1.836 407 c HN 1.024 nan 8.230 nan 0.000 0.453 408 R N 3.886 124.427 120.500 0.068 0.000 2.513 408 R HA 0.793 5.133 4.340 0.000 0.000 0.301 408 R C -0.770 175.538 176.300 0.014 0.000 0.968 408 R CA -0.059 56.069 56.100 0.047 0.000 0.872 408 R CB 1.830 32.161 30.300 0.051 0.000 1.177 408 R HN 0.896 nan 8.270 nan 0.000 0.444 409 A N 3.375 126.198 122.820 0.005 0.000 2.371 409 A HA 0.445 4.765 4.320 0.000 0.000 0.311 409 A C -1.132 176.450 177.584 -0.004 0.000 1.068 409 A CA -0.825 51.206 52.037 -0.010 0.000 0.744 409 A CB 1.349 20.332 19.000 -0.028 0.000 1.239 409 A HN 0.659 nan 8.150 nan 0.000 0.435 410 D N 0.152 120.549 120.400 -0.006 0.000 2.312 410 D HA 0.671 5.311 4.640 0.000 0.000 0.248 410 D C 0.373 176.670 176.300 -0.005 0.000 1.086 410 D CA 1.140 55.139 54.000 -0.003 0.000 0.948 410 D CB 1.812 42.611 40.800 -0.001 0.000 1.162 410 D HN 1.168 nan 8.370 nan 0.000 0.446 411 G N 0.632 109.431 108.800 -0.002 0.000 2.312 411 G HA2 0.253 4.213 3.960 0.000 0.000 0.347 411 G HA3 0.253 4.213 3.960 0.000 0.000 0.347 411 G C -1.942 172.959 174.900 0.001 0.000 1.564 411 G CA -0.824 44.276 45.100 -0.001 0.000 0.981 411 G HN 0.426 nan 8.290 nan 0.000 0.678 412 D N 1.116 121.519 120.400 0.004 0.000 2.757 412 D HA 0.677 5.317 4.640 0.000 0.000 0.249 412 D C -2.376 173.928 176.300 0.007 0.000 1.168 412 D CA -1.451 52.551 54.000 0.004 0.000 0.870 412 D CB 2.882 43.684 40.800 0.003 0.000 1.411 412 D HN 0.205 nan 8.370 nan 0.000 0.525 413 P HA 0.201 nan 4.420 nan 0.000 0.269 413 P C -2.465 174.836 177.300 0.001 0.000 1.215 413 P CA -0.975 62.127 63.100 0.004 0.000 0.780 413 P CB -0.138 31.566 31.700 0.007 0.000 0.898 414 P HA 0.084 nan 4.420 nan 0.000 0.263 414 P C -2.410 174.889 177.300 -0.002 0.000 1.195 414 P CA -0.753 62.347 63.100 0.001 0.000 0.762 414 P CB -0.824 30.878 31.700 0.003 0.000 0.799 415 P HA 0.203 nan 4.420 nan 0.000 0.272 415 P C -0.382 176.912 177.300 -0.010 0.000 1.223 415 P CA -0.198 62.894 63.100 -0.013 0.000 0.784 415 P CB 0.519 32.206 31.700 -0.021 0.000 0.923 416 A N 2.920 125.730 122.820 -0.017 0.000 2.310 416 A HA 0.554 4.874 4.320 0.000 0.000 0.299 416 A C -0.277 177.291 177.584 -0.026 0.000 1.147 416 A CA -0.398 51.632 52.037 -0.012 0.000 0.818 416 A CB -0.020 18.970 19.000 -0.017 0.000 1.096 416 A HN 0.392 nan 8.150 nan 0.000 0.495 417 I N 2.743 123.308 120.570 -0.007 0.000 2.378 417 I HA 0.426 4.596 4.170 0.000 0.000 0.291 417 I C -0.341 175.768 176.117 -0.013 0.000 0.992 417 I CA -0.139 61.140 61.300 -0.035 0.000 1.154 417 I CB 0.783 38.797 38.000 0.024 0.000 1.315 417 I HN 0.515 nan 8.210 nan 0.000 0.448 418 L N 4.960 126.118 121.223 -0.108 0.000 2.354 418 L HA 0.550 4.890 4.340 0.000 0.000 0.264 418 L C -1.371 175.410 176.870 -0.149 0.000 1.008 418 L CA -0.676 54.143 54.840 -0.035 0.000 0.819 418 L CB 2.468 44.502 42.059 -0.042 0.000 1.339 418 L HN 0.444 nan 8.230 nan 0.000 0.420 419 W N 2.082 123.388 121.300 0.009 0.000 2.656 419 W HA 0.610 5.270 4.660 0.000 0.000 0.327 419 W C -0.937 175.600 176.519 0.029 0.000 1.041 419 W CA -0.312 57.050 57.345 0.029 0.000 1.229 419 W CB 1.689 31.190 29.460 0.068 0.000 1.397 419 W HN 0.133 nan 8.180 nan 0.000 0.479 420 L N 3.515 124.868 121.223 0.217 0.000 2.292 420 L HA 0.388 4.728 4.340 0.000 0.000 0.284 420 L C 0.888 177.822 176.870 0.106 0.000 1.065 420 L CA 0.020 54.928 54.840 0.112 0.000 0.806 420 L CB 1.003 43.058 42.059 -0.007 0.000 1.175 420 L HN 0.489 nan 8.230 nan 0.000 0.431 421 S N 4.781 120.486 115.700 0.008 0.000 2.608 421 S HA 0.315 4.785 4.470 0.000 0.000 0.261 421 S C -1.614 172.737 174.600 -0.415 0.000 1.314 421 S CA -0.824 57.222 58.200 -0.256 0.000 0.992 421 S CB 0.389 63.545 63.200 -0.073 0.000 0.935 421 S HN 0.582 nan 8.310 nan 0.000 0.564 422 P HA -0.112 nan 4.420 nan 0.000 0.219 422 P C 0.773 177.940 177.300 -0.222 0.000 1.146 422 P CA 1.185 64.047 63.100 -0.397 0.000 0.808 422 P CB -0.061 31.424 31.700 -0.359 0.000 0.779 423 R N -0.172 120.222 120.500 -0.177 0.000 2.313 423 R HA 0.098 4.438 4.340 0.000 0.000 0.199 423 R C 0.483 176.587 176.300 -0.327 0.000 0.958 423 R CA 0.065 56.069 56.100 -0.159 0.000 1.047 423 R CB -0.452 29.842 30.300 -0.009 0.000 0.955 423 R HN 0.105 nan 8.270 nan 0.000 0.481 424 K N 0.083 120.314 120.400 -0.280 0.000 3.241 424 K HA -0.190 4.130 4.320 0.000 0.000 0.270 424 K C -1.123 175.236 176.600 -0.401 0.000 1.118 424 K CA 0.510 56.626 56.287 -0.284 0.000 0.792 424 K CB -1.854 30.500 32.500 -0.244 0.000 1.283 424 K HN 0.451 nan 8.250 nan 0.000 0.480 425 H N -0.870 118.173 119.070 -0.044 0.000 2.771 425 H HA 0.471 5.027 4.556 0.000 0.000 0.367 425 H C 0.180 175.508 175.328 -0.000 0.000 1.172 425 H CA -1.272 54.762 56.048 -0.023 0.000 1.186 425 H CB 1.022 30.771 29.762 -0.022 0.000 1.790 425 H HN -0.064 nan 8.280 nan 0.000 0.556 426 L N 0.861 122.173 121.223 0.148 0.000 2.475 426 L HA 0.181 4.521 4.340 0.000 0.000 0.250 426 L C -0.140 176.797 176.870 0.111 0.000 1.224 426 L CA 0.196 55.099 54.840 0.105 0.000 0.821 426 L CB 0.568 42.664 42.059 0.063 0.000 1.141 426 L HN 0.399 nan 8.230 nan 0.000 0.494 433 G N 0.995 109.785 108.800 -0.016 0.000 2.559 433 G HA2 -0.344 3.616 3.960 0.000 0.000 0.282 433 G HA3 -0.344 3.616 3.960 0.000 0.000 0.282 433 G C 0.229 175.130 174.900 0.001 0.000 1.177 433 G CA 1.040 46.134 45.100 -0.010 0.000 0.960 433 G HN 1.026 nan 8.290 nan 0.000 0.540 434 R N -1.357 119.144 120.500 0.001 0.000 2.676 434 R HA 0.402 4.742 4.340 0.000 0.000 0.241 434 R C 0.278 176.564 176.300 -0.023 0.000 0.964 434 R CA -0.065 56.047 56.100 0.021 0.000 1.054 434 R CB 0.234 30.566 30.300 0.052 0.000 1.603 434 R HN 0.402 nan 8.270 nan 0.000 0.577 435 L N 2.262 123.460 121.223 -0.041 0.000 2.276 435 L HA 0.402 4.742 4.340 0.000 0.000 0.286 435 L C -0.339 176.438 176.870 -0.155 0.000 1.061 435 L CA -0.371 54.414 54.840 -0.091 0.000 0.807 435 L CB 1.805 43.848 42.059 -0.027 0.000 1.177 435 L HN 0.109 nan 8.230 nan 0.000 0.429 436 T N 0.454 114.837 114.554 -0.286 0.000 2.879 436 T HA 0.417 4.767 4.350 0.000 0.000 0.290 436 T C -0.678 173.683 174.700 -0.566 0.000 0.993 436 T CA -0.735 61.113 62.100 -0.420 0.000 0.975 436 T CB 1.786 70.316 68.868 -0.564 0.000 0.981 436 T HN 0.265 nan 8.240 nan 0.000 0.439 437 V N 5.682 125.381 119.914 -0.358 0.000 2.385 437 V HA 0.576 4.696 4.120 0.000 0.000 0.269 437 V C -0.958 175.019 176.094 -0.196 0.000 1.043 437 V CA -0.677 61.486 62.300 -0.228 0.000 0.906 437 V CB -0.795 31.061 31.823 0.055 0.000 0.995 437 V HN 0.795 nan 8.190 nan 0.000 0.467 438 F N 8.666 128.632 119.950 0.027 0.000 2.406 438 F HA 0.449 4.976 4.527 0.000 0.000 0.327 438 F C -0.648 175.184 175.800 0.054 0.000 1.153 438 F CA -1.879 56.138 58.000 0.028 0.000 1.218 438 F CB 0.328 39.334 39.000 0.010 0.000 1.215 438 F HN 0.404 nan 8.300 nan 0.000 0.570 439 P HA -0.182 nan 4.420 nan 0.000 0.220 439 P C 0.790 178.171 177.300 0.135 0.000 1.144 439 P CA 1.325 64.515 63.100 0.150 0.000 0.800 439 P CB 0.181 31.948 31.700 0.111 0.000 0.772 440 D N -0.117 120.378 120.400 0.160 0.000 2.149 440 D HA -0.136 4.504 4.640 0.000 0.000 0.194 440 D C 1.910 178.304 176.300 0.156 0.000 1.001 440 D CA 2.285 56.364 54.000 0.132 0.000 0.849 440 D CB -0.752 40.127 40.800 0.133 0.000 0.939 440 D HN 0.331 nan 8.370 nan 0.000 0.449 441 G N -0.762 108.170 108.800 0.219 0.000 2.201 441 G HA2 -0.224 3.736 3.960 0.000 0.000 0.212 441 G HA3 -0.224 3.736 3.960 0.000 0.000 0.212 441 G C 0.529 175.676 174.900 0.413 0.000 0.994 441 G CA 0.562 45.827 45.100 0.275 0.000 0.644 441 G HN 0.592 nan 8.290 nan 0.000 0.508 442 T N -0.611 114.131 114.554 0.314 0.000 2.897 442 T HA 0.640 4.991 4.350 0.000 0.000 0.294 442 T C -0.036 174.712 174.700 0.080 0.000 1.004 442 T CA -0.247 62.004 62.100 0.251 0.000 1.106 442 T CB 2.276 71.278 68.868 0.222 0.000 0.949 442 T HN 1.167 nan 8.240 nan 0.000 0.520 443 L N 2.249 123.317 121.223 -0.258 0.000 2.287 443 L HA 0.524 4.864 4.340 0.000 0.000 0.287 443 L C -0.130 176.504 176.870 -0.393 0.000 1.022 443 L CA -0.449 54.036 54.840 -0.592 0.000 0.814 443 L CB 1.131 42.324 42.059 -1.443 0.000 1.217 443 L HN 0.891 nan 8.230 nan 0.000 0.420 444 E N 4.154 124.157 120.200 -0.327 0.000 2.156 444 E HA 0.401 4.751 4.350 0.000 0.000 0.279 444 E C -1.464 174.982 176.600 -0.257 0.000 0.965 444 E CA -0.694 55.572 56.400 -0.224 0.000 0.789 444 E CB 1.568 31.241 29.700 -0.044 0.000 1.098 444 E HN 0.533 nan 8.360 nan 0.000 0.397 445 V N 6.780 126.540 119.914 -0.257 0.000 2.304 445 V HA 0.211 4.331 4.120 0.000 0.000 0.269 445 V C 1.462 177.464 176.094 -0.154 0.000 1.036 445 V CA -0.374 61.812 62.300 -0.190 0.000 0.840 445 V CB 0.796 32.492 31.823 -0.212 0.000 1.036 445 V HN 0.756 nan 8.190 nan 0.000 0.466 446 R N 2.953 123.390 120.500 -0.105 0.000 2.082 446 R HA -0.095 4.245 4.340 0.000 0.000 0.234 446 R C -0.194 175.897 176.300 -0.348 0.000 1.136 446 R CA 1.802 57.803 56.100 -0.166 0.000 0.935 446 R CB 0.033 30.354 30.300 0.034 0.000 0.842 446 R HN 0.663 nan 8.270 nan 0.000 0.430 447 Y N -0.552 119.728 120.300 -0.034 0.000 2.535 447 Y HA 0.358 4.908 4.550 0.000 0.000 0.351 447 Y C -0.512 175.381 175.900 -0.012 0.000 1.050 447 Y CA -0.780 57.305 58.100 -0.026 0.000 1.168 447 Y CB 1.116 39.558 38.460 -0.029 0.000 1.116 447 Y HN 0.099 nan 8.280 nan 0.000 0.654 448 A N 2.249 125.109 122.820 0.067 0.000 2.591 448 A HA 0.102 4.422 4.320 0.000 0.000 0.244 448 A C 0.130 177.762 177.584 0.081 0.000 1.031 448 A CA 0.618 52.686 52.037 0.051 0.000 0.767 448 A CB 0.156 19.162 19.000 0.011 0.000 0.942 448 A HN 0.759 nan 8.150 nan 0.000 0.514 449 Q N 1.421 121.265 119.800 0.074 0.000 2.495 449 Q HA 0.434 4.775 4.340 0.000 0.000 0.283 449 Q C 0.974 177.013 176.000 0.064 0.000 1.097 449 Q CA -1.051 54.793 55.803 0.068 0.000 0.836 449 Q CB 1.572 30.346 28.738 0.060 0.000 1.426 449 Q HN 0.416 nan 8.270 nan 0.000 0.459 450 V N 0.661 120.609 119.914 0.056 0.000 2.407 450 V HA -0.280 3.840 4.120 0.000 0.000 0.248 450 V C 1.764 177.887 176.094 0.049 0.000 1.055 450 V CA 2.301 64.633 62.300 0.052 0.000 1.049 450 V CB -0.636 31.213 31.823 0.044 0.000 0.662 450 V HN 0.769 nan 8.190 nan 0.000 0.455 451 Q N -0.328 119.499 119.800 0.046 0.000 2.408 451 Q HA -0.062 4.278 4.340 0.000 0.000 0.214 451 Q C 0.397 176.431 176.000 0.056 0.000 0.957 451 Q CA 1.032 56.860 55.803 0.041 0.000 0.965 451 Q CB -0.127 28.631 28.738 0.032 0.000 0.991 451 Q HN 0.541 nan 8.270 nan 0.000 0.505 452 D N -0.379 120.070 120.400 0.082 0.000 2.510 452 D HA 0.025 4.665 4.640 0.000 0.000 0.234 452 D C -0.417 175.996 176.300 0.189 0.000 1.178 452 D CA -0.193 53.894 54.000 0.145 0.000 0.816 452 D CB 0.165 41.057 40.800 0.154 0.000 1.143 452 D HN 0.318 nan 8.370 nan 0.000 0.526 453 N N 0.796 119.561 118.700 0.110 0.000 2.395 453 N HA 0.292 5.032 4.740 0.000 0.000 0.246 453 N C 0.611 176.158 175.510 0.063 0.000 1.246 453 N CA 1.448 54.551 53.050 0.088 0.000 0.879 453 N CB 0.530 39.043 38.487 0.043 0.000 1.098 453 N HN 0.170 nan 8.380 nan 0.000 0.444 454 G N 0.430 109.261 108.800 0.053 0.000 2.298 454 G HA2 -0.065 3.895 3.960 0.000 0.000 0.309 454 G HA3 -0.065 3.895 3.960 0.000 0.000 0.309 454 G C -1.227 173.701 174.900 0.046 0.000 1.279 454 G CA -0.654 44.442 45.100 -0.006 0.000 1.042 454 G HN 0.606 nan 8.290 nan 0.000 0.480 455 T N 1.018 115.551 114.554 -0.036 0.000 2.806 455 T HA 0.613 4.963 4.350 0.000 0.000 0.290 455 T C -0.803 173.804 174.700 -0.154 0.000 0.966 455 T CA 0.342 62.416 62.100 -0.044 0.000 1.060 455 T CB 0.678 69.530 68.868 -0.026 0.000 0.927 455 T HN 0.411 nan 8.240 nan 0.000 0.485 456 Y N 1.734 121.935 120.300 -0.165 0.000 2.446 456 Y HA 0.561 5.111 4.550 0.000 0.000 0.338 456 Y C 0.127 175.992 175.900 -0.059 0.000 1.055 456 Y CA -1.164 56.918 58.100 -0.030 0.000 1.101 456 Y CB 1.357 39.832 38.460 0.025 0.000 1.221 456 Y HN 0.323 nan 8.280 nan 0.000 0.460 457 L N 3.798 125.082 121.223 0.102 0.000 2.313 457 L HA 0.450 4.790 4.340 0.000 0.000 0.283 457 L C -0.548 176.088 176.870 -0.390 0.000 1.013 457 L CA -0.884 53.877 54.840 -0.132 0.000 0.816 457 L CB 0.990 42.966 42.059 -0.138 0.000 1.236 457 L HN 0.826 nan 8.230 nan 0.000 0.419 458 c N 4.321 122.342 118.600 -0.964 0.000 2.365 458 c HA 0.722 5.292 4.570 0.000 0.000 0.351 458 c C -0.129 173.552 174.090 -0.681 0.000 1.240 458 c CA -0.761 54.694 56.329 -1.457 0.000 2.062 458 c CB -0.032 41.177 42.510 -2.167 0.000 2.387 458 c HN 0.673 nan 8.230 nan 0.000 0.537 459 I N 3.943 124.197 120.570 -0.526 0.000 2.439 459 I HA 0.545 4.715 4.170 0.000 0.000 0.285 459 I C 0.449 176.429 176.117 -0.228 0.000 1.021 459 I CA -0.308 60.817 61.300 -0.291 0.000 1.091 459 I CB 1.468 39.346 38.000 -0.202 0.000 1.242 459 I HN 0.949 nan 8.210 nan 0.000 0.439 460 A N 5.205 127.919 122.820 -0.176 0.000 2.290 460 A HA 0.919 5.239 4.320 0.000 0.000 0.310 460 A C -0.253 177.280 177.584 -0.085 0.000 1.202 460 A CA -0.359 51.607 52.037 -0.119 0.000 0.837 460 A CB 0.855 19.796 19.000 -0.098 0.000 1.139 460 A HN 0.809 nan 8.150 nan 0.000 0.509 461 A N 3.385 126.165 122.820 -0.065 0.000 2.398 461 A HA 0.773 5.093 4.320 0.000 0.000 0.301 461 A C -0.687 176.876 177.584 -0.035 0.000 1.041 461 A CA -0.680 51.327 52.037 -0.051 0.000 0.711 461 A CB 1.156 20.123 19.000 -0.056 0.000 1.240 461 A HN 1.279 nan 8.150 nan 0.000 0.420 462 N N 0.310 118.994 118.700 -0.026 0.000 2.774 462 N HA 0.589 5.329 4.740 0.000 0.000 0.264 462 N C 0.749 176.254 175.510 -0.007 0.000 1.415 462 N CA -0.077 52.964 53.050 -0.015 0.000 0.815 462 N CB 0.954 39.436 38.487 -0.008 0.000 1.514 462 N HN 0.735 nan 8.380 nan 0.000 0.523 463 A N -0.174 122.648 122.820 0.004 0.000 1.971 463 A HA -0.070 4.250 4.320 0.000 0.000 0.222 463 A C 1.789 179.387 177.584 0.023 0.000 1.182 463 A CA 2.464 54.511 52.037 0.017 0.000 0.649 463 A CB -1.608 17.415 19.000 0.038 0.000 0.818 463 A HN 0.871 nan 8.150 nan 0.000 0.458 464 G N -2.159 106.654 108.800 0.022 0.000 2.551 464 G HA2 0.428 4.388 3.960 0.000 0.000 0.216 464 G HA3 0.428 4.388 3.960 0.000 0.000 0.216 464 G C 0.677 175.584 174.900 0.012 0.000 1.137 464 G CA 1.004 46.120 45.100 0.025 0.000 0.798 464 G HN 1.455 nan 8.290 nan 0.000 0.536 465 G N -0.627 108.173 108.800 -0.000 0.000 2.317 465 G HA2 0.430 4.390 3.960 0.000 0.000 0.293 465 G HA3 0.430 4.390 3.960 0.000 0.000 0.293 465 G C -1.679 173.208 174.900 -0.022 0.000 1.287 465 G CA -0.244 44.850 45.100 -0.010 0.000 0.850 465 G HN 0.749 nan 8.290 nan 0.000 0.515 466 N N -0.984 117.697 118.700 -0.031 0.000 2.902 466 N HA 0.751 5.491 4.740 0.000 0.000 0.268 466 N C -1.680 173.799 175.510 -0.052 0.000 1.450 466 N CA -0.717 52.306 53.050 -0.046 0.000 0.819 466 N CB 2.755 41.210 38.487 -0.054 0.000 1.540 466 N HN 0.656 nan 8.380 nan 0.000 0.545 467 D N -2.067 118.290 120.400 -0.071 0.000 2.623 467 D HA 0.666 5.306 4.640 0.000 0.000 0.241 467 D C -1.792 174.440 176.300 -0.113 0.000 1.241 467 D CA -0.250 53.703 54.000 -0.078 0.000 0.788 467 D CB 2.114 42.873 40.800 -0.069 0.000 1.413 467 D HN 0.763 nan 8.370 nan 0.000 0.429 468 S N 0.976 116.606 115.700 -0.117 0.000 2.556 468 S HA 0.822 5.292 4.470 0.000 0.000 0.271 468 S C -1.117 173.393 174.600 -0.150 0.000 1.135 468 S CA -0.982 57.122 58.200 -0.160 0.000 0.858 468 S CB 1.732 64.844 63.200 -0.147 0.000 1.114 468 S HN 0.389 nan 8.310 nan 0.000 0.468 469 M N 1.536 121.014 119.600 -0.203 0.000 2.378 469 M HA 0.517 4.997 4.480 0.000 0.000 0.289 469 M C -3.097 173.075 176.300 -0.212 0.000 1.136 469 M CA -2.013 53.186 55.300 -0.170 0.000 0.917 469 M CB 1.905 34.416 32.600 -0.149 0.000 1.669 469 M HN 0.424 nan 8.290 nan 0.000 0.461 470 P HA 0.443 nan 4.420 nan 0.000 0.275 470 P C -1.315 175.749 177.300 -0.393 0.000 1.228 470 P CA -0.339 62.594 63.100 -0.278 0.000 0.786 470 P CB 0.725 32.286 31.700 -0.231 0.000 0.927 471 A N 2.353 124.865 122.820 -0.514 0.000 2.371 471 A HA 0.590 4.910 4.320 0.000 0.000 0.311 471 A C -1.057 176.094 177.584 -0.721 0.000 1.068 471 A CA -0.522 51.114 52.037 -0.670 0.000 0.744 471 A CB 0.905 19.328 19.000 -0.962 0.000 1.239 471 A HN 0.566 nan 8.150 nan 0.000 0.435 472 H N 2.660 121.655 119.070 -0.125 0.000 2.595 472 H HA 0.344 4.900 4.556 0.000 0.000 0.313 472 H C -1.289 174.085 175.328 0.075 0.000 1.023 472 H CA -0.515 55.508 56.048 -0.042 0.000 1.218 472 H CB 1.655 31.402 29.762 -0.024 0.000 1.403 472 H HN 0.461 nan 8.280 nan 0.000 0.477 473 L N 5.731 127.072 121.223 0.198 0.000 2.259 473 L HA 0.173 4.513 4.340 0.000 0.000 0.288 473 L C -0.176 176.614 176.870 -0.132 0.000 1.051 473 L CA -0.399 54.547 54.840 0.177 0.000 0.824 473 L CB -0.089 42.145 42.059 0.290 0.000 1.206 473 L HN 0.535 nan 8.230 nan 0.000 0.429 474 H N 4.907 123.864 119.070 -0.188 0.000 2.690 474 H HA 0.278 4.834 4.556 0.000 0.000 0.289 474 H C -0.496 174.774 175.328 -0.096 0.000 1.089 474 H CA -0.591 55.318 56.048 -0.231 0.000 1.299 474 H CB 1.661 31.036 29.762 -0.646 0.000 1.405 474 H HN 0.408 nan 8.280 nan 0.000 0.463 475 V N 5.762 125.724 119.914 0.081 0.000 2.407 475 V HA 0.262 4.382 4.120 0.000 0.000 0.278 475 V C 0.041 176.202 176.094 0.112 0.000 1.037 475 V CA -0.578 61.775 62.300 0.089 0.000 0.900 475 V CB 0.729 32.593 31.823 0.068 0.000 0.983 475 V HN 0.742 nan 8.190 nan 0.000 0.459 476 R N 4.215 124.786 120.500 0.120 0.000 2.553 476 R HA 0.620 4.960 4.340 0.000 0.000 0.263 476 R C -0.077 176.274 176.300 0.085 0.000 1.066 476 R CA -0.685 55.481 56.100 0.109 0.000 1.135 476 R CB 1.221 31.588 30.300 0.112 0.000 1.148 476 R HN 0.708 nan 8.270 nan 0.000 0.558 477 S N 0.000 115.743 115.700 0.072 0.000 2.498 477 S HA 0.000 4.470 4.470 0.000 0.000 0.327 477 S CA 0.000 58.237 58.200 0.062 0.000 1.107 477 S CB 0.000 63.231 63.200 0.052 0.000 0.593 477 S HN 0.000 nan 8.310 nan 0.000 0.517