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 2vna_1_A DATA FIRST_RESID 0 DATA SEQUENCE MMIVQRVVLN SRPGKNGNPV AENFRMEEVY LPDNINEGQV QVRTLYLSVD DATA SEQUENCE PYMRCRMNED TGTDYITPWQ LSQVVDGGGI GIIEESKHTN LTKGDFVTSF DATA SEQUENCE YWPWQTKVIL DGNSLEKVDP QLVDGHLSYF LGAIGMPGLT SLIGIQEKGH DATA SEQUENCE ITAGSNKTMV VSGAAGACGS VAGQIGHFLG CSRVVGICGT HEKCILLTSE DATA SEQUENCE LGFDAAINYK KDNVAEQLRE SCPAGVDVYF DNVGGNISDT VISQMNENSH DATA SEQUENCE IILCGQISQY NKDVPYPPPL SPAIEAIQKE RNITRERFLV LNYKDKFEPG DATA SEQUENCE ILQLSQWFKE GKLKIKETVI NGLENMGAAF QSMMTGGNIG KQIVCISEE 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.418 176.300 0.197 0.000 1.140 0 M CA 0.000 55.323 55.300 0.038 0.000 0.988 0 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 1 M N 2.145 121.852 119.600 0.179 0.000 2.247 1 M HA 0.758 5.258 4.480 0.033 0.000 0.326 1 M C -0.694 175.706 176.300 0.166 0.000 1.134 1 M CA 0.106 55.499 55.300 0.155 0.000 1.136 1 M CB 0.136 32.784 32.600 0.080 0.000 1.454 1 M HN 0.656 nan 8.290 nan 0.000 0.467 2 I N 3.603 124.197 120.570 0.040 0.000 2.321 2 I HA 0.564 4.754 4.170 0.033 0.000 0.291 2 I C 0.106 176.186 176.117 -0.063 0.000 0.998 2 I CA -0.776 60.455 61.300 -0.116 0.000 1.227 2 I CB 0.889 38.753 38.000 -0.228 0.000 1.368 2 I HN 0.800 nan 8.210 nan 0.000 0.466 3 V N 3.347 123.226 119.914 -0.058 0.000 3.166 3 V HA 0.634 4.774 4.120 0.033 0.000 0.317 3 V C -0.692 175.382 176.094 -0.034 0.000 1.136 3 V CA -0.732 61.553 62.300 -0.025 0.000 1.035 3 V CB 1.822 33.650 31.823 0.008 0.000 1.110 3 V HN 0.624 nan 8.190 nan 0.000 0.450 4 Q N 0.658 120.451 119.800 -0.012 0.000 2.248 4 Q HA 0.789 5.149 4.340 0.033 0.000 0.263 4 Q C -0.535 175.475 176.000 0.017 0.000 1.007 4 Q CA -0.450 55.348 55.803 -0.009 0.000 0.877 4 Q CB 1.866 30.597 28.738 -0.012 0.000 1.315 4 Q HN 0.816 nan 8.270 nan 0.000 0.454 5 R N -0.041 120.472 120.500 0.022 0.000 2.643 5 R HA 0.655 5.015 4.340 0.033 0.000 0.269 5 R C -1.783 174.552 176.300 0.058 0.000 1.037 5 R CA -0.540 55.588 56.100 0.046 0.000 0.894 5 R CB 1.523 31.837 30.300 0.023 0.000 1.238 5 R HN 0.479 nan 8.270 nan 0.000 0.459 6 V N 4.494 124.470 119.914 0.103 0.000 2.417 6 V HA 0.523 4.663 4.120 0.033 0.000 0.291 6 V C 0.016 176.130 176.094 0.034 0.000 1.024 6 V CA -0.638 61.736 62.300 0.124 0.000 0.861 6 V CB 1.396 33.384 31.823 0.274 0.000 0.985 6 V HN 0.577 nan 8.190 nan 0.000 0.436 7 V N 2.964 122.895 119.914 0.028 0.000 3.046 7 V HA 0.711 4.851 4.120 0.033 0.000 0.316 7 V C -0.513 175.556 176.094 -0.042 0.000 1.104 7 V CA -1.252 61.014 62.300 -0.057 0.000 1.006 7 V CB 1.989 33.785 31.823 -0.045 0.000 1.058 7 V HN 0.657 nan 8.190 nan 0.000 0.440 8 L N 2.878 124.016 121.223 -0.143 0.000 2.385 8 L HA 0.383 4.743 4.340 0.033 0.000 0.281 8 L C 1.153 177.947 176.870 -0.127 0.000 1.106 8 L CA 0.629 55.359 54.840 -0.184 0.000 0.856 8 L CB -0.053 41.911 42.059 -0.159 0.000 1.186 8 L HN 0.941 nan 8.230 nan 0.000 0.453 9 N N 1.815 120.432 118.700 -0.139 0.000 2.290 9 N HA -0.003 4.757 4.740 0.033 0.000 0.179 9 N C -0.279 175.179 175.510 -0.087 0.000 1.016 9 N CA 0.926 53.927 53.050 -0.081 0.000 0.871 9 N CB 0.403 38.863 38.487 -0.044 0.000 0.987 9 N HN 0.725 nan 8.380 nan 0.000 0.431 10 S N -1.628 113.992 115.700 -0.133 0.000 2.578 10 S HA 0.466 4.956 4.470 0.033 0.000 0.272 10 S C -1.400 173.131 174.600 -0.116 0.000 1.145 10 S CA -1.116 57.026 58.200 -0.096 0.000 0.835 10 S CB 1.402 64.566 63.200 -0.060 0.000 1.104 10 S HN 0.140 nan 8.310 nan 0.000 0.458 11 R N 1.284 121.743 120.500 -0.068 0.000 2.368 11 R HA 0.482 4.842 4.340 0.033 0.000 0.302 11 R C -1.739 174.544 176.300 -0.028 0.000 1.002 11 R CA -2.060 54.009 56.100 -0.053 0.000 0.929 11 R CB 0.941 31.222 30.300 -0.031 0.000 1.073 11 R HN 0.582 nan 8.270 nan 0.000 0.464 12 P HA 0.045 nan 4.420 nan 0.000 0.245 12 P C 0.154 177.467 177.300 0.021 0.000 1.206 12 P CA 0.418 63.528 63.100 0.016 0.000 0.781 12 P CB 0.502 32.231 31.700 0.049 0.000 0.994 13 G N 1.355 110.163 108.800 0.013 0.000 2.721 13 G HA2 -0.219 3.761 3.960 0.033 0.000 0.686 13 G HA3 -0.219 3.761 3.960 0.033 0.000 0.686 13 G C 0.500 175.415 174.900 0.024 0.000 1.236 13 G CA -0.232 44.877 45.100 0.015 0.000 0.786 13 G HN 0.103 nan 8.290 nan 0.000 0.616 14 K N 0.389 120.801 120.400 0.020 0.000 2.173 14 K HA -0.139 4.201 4.320 0.033 0.000 0.207 14 K C 1.646 178.271 176.600 0.041 0.000 1.046 14 K CA 1.739 58.042 56.287 0.026 0.000 0.929 14 K CB -0.056 32.456 32.500 0.020 0.000 0.720 14 K HN 0.457 nan 8.250 nan 0.000 0.453 15 N N 0.242 118.966 118.700 0.039 0.000 2.214 15 N HA 0.046 4.806 4.740 0.033 0.000 0.214 15 N C 0.221 175.760 175.510 0.048 0.000 1.132 15 N CA 0.110 53.187 53.050 0.046 0.000 0.856 15 N CB 1.112 39.622 38.487 0.038 0.000 1.020 15 N HN 0.114 nan 8.380 nan 0.000 0.509 16 G N 0.058 108.888 108.800 0.050 0.000 2.462 16 G HA2 0.245 4.225 3.960 0.033 0.000 0.319 16 G HA3 0.245 4.225 3.960 0.033 0.000 0.319 16 G C 0.004 174.946 174.900 0.070 0.000 1.171 16 G CA -0.412 44.719 45.100 0.052 0.000 0.920 16 G HN 0.030 nan 8.290 nan 0.000 0.499 17 N N 1.160 119.901 118.700 0.068 0.000 2.499 17 N HA 0.308 5.068 4.740 0.033 0.000 0.281 17 N C -2.343 173.232 175.510 0.109 0.000 1.098 17 N CA -0.887 52.213 53.050 0.083 0.000 0.979 17 N CB 1.759 40.285 38.487 0.065 0.000 1.121 17 N HN 0.253 nan 8.380 nan 0.000 0.466 18 P HA 0.081 nan 4.420 nan 0.000 0.276 18 P C -0.502 176.934 177.300 0.226 0.000 1.243 18 P CA -0.249 63.001 63.100 0.250 0.000 0.768 18 P CB 0.774 32.740 31.700 0.444 0.000 0.856 19 V N -0.452 119.586 119.914 0.208 0.000 2.914 19 V HA 0.673 4.813 4.120 0.033 0.000 0.314 19 V C 1.505 177.754 176.094 0.259 0.000 1.084 19 V CA -0.453 61.960 62.300 0.189 0.000 0.963 19 V CB 1.056 32.946 31.823 0.112 0.000 1.025 19 V HN 0.506 nan 8.190 nan 0.000 0.432 20 A N 1.231 124.202 122.820 0.251 0.000 1.940 20 A HA -0.224 4.116 4.320 0.033 0.000 0.221 20 A C 1.625 179.378 177.584 0.282 0.000 1.190 20 A CA 2.646 54.856 52.037 0.289 0.000 0.647 20 A CB -0.842 18.263 19.000 0.174 0.000 0.821 20 A HN 1.063 nan 8.150 nan 0.000 0.457 21 E N -0.002 120.294 120.200 0.159 0.000 2.511 21 E HA -0.026 4.344 4.350 0.033 0.000 0.196 21 E C 1.219 177.837 176.600 0.030 0.000 1.066 21 E CA 0.617 57.076 56.400 0.097 0.000 0.871 21 E CB -0.501 29.236 29.700 0.061 0.000 0.863 21 E HN 0.816 nan 8.360 nan 0.000 0.520 22 N N -0.501 118.183 118.700 -0.027 0.000 2.512 22 N HA -0.007 4.753 4.740 0.033 0.000 0.183 22 N C -0.515 174.685 175.510 -0.517 0.000 1.073 22 N CA 0.262 53.145 53.050 -0.278 0.000 0.911 22 N CB 0.152 38.415 38.487 -0.373 0.000 0.964 22 N HN 0.043 nan 8.380 nan 0.000 0.447 23 F N 0.026 119.999 119.950 0.038 0.000 2.538 23 F HA 0.488 5.037 4.527 0.035 0.000 0.325 23 F C 0.296 176.106 175.800 0.016 0.000 1.066 23 F CA -1.058 56.950 58.000 0.014 0.000 0.946 23 F CB 1.533 40.569 39.000 0.060 0.000 1.199 23 F HN -0.299 nan 8.300 nan 0.000 0.473 24 R N 2.773 123.387 120.500 0.191 0.000 2.574 24 R HA 0.521 4.881 4.340 0.033 0.000 0.288 24 R C -1.294 175.059 176.300 0.088 0.000 1.004 24 R CA -0.821 55.341 56.100 0.103 0.000 0.895 24 R CB 1.187 31.515 30.300 0.046 0.000 1.191 24 R HN 0.553 nan 8.270 nan 0.000 0.444 25 M N 2.761 122.401 119.600 0.066 0.000 2.233 25 M HA 0.282 4.782 4.480 0.033 0.000 0.350 25 M C -0.269 176.043 176.300 0.020 0.000 1.176 25 M CA 0.641 55.965 55.300 0.041 0.000 1.150 25 M CB 0.852 33.468 32.600 0.027 0.000 1.530 25 M HN 0.655 nan 8.290 nan 0.000 0.459 26 E N 0.626 120.831 120.200 0.009 0.000 2.446 26 E HA 0.478 4.848 4.350 0.033 0.000 0.276 26 E C -1.216 175.369 176.600 -0.025 0.000 0.969 26 E CA -0.816 55.579 56.400 -0.009 0.000 0.800 26 E CB 2.394 32.089 29.700 -0.009 0.000 1.341 26 E HN 0.527 nan 8.360 nan 0.000 0.460 27 E N 1.043 121.212 120.200 -0.051 0.000 2.187 27 E HA 0.449 4.819 4.350 0.033 0.000 0.268 27 E C -0.990 175.538 176.600 -0.120 0.000 0.896 27 E CA -0.681 55.666 56.400 -0.088 0.000 0.766 27 E CB 2.227 31.858 29.700 -0.116 0.000 1.142 27 E HN 0.276 nan 8.360 nan 0.000 0.408 28 V N -0.268 119.571 119.914 -0.124 0.000 3.126 28 V HA 0.524 4.664 4.120 0.033 0.000 0.314 28 V C -0.952 175.043 176.094 -0.166 0.000 1.138 28 V CA -1.047 61.185 62.300 -0.112 0.000 1.034 28 V CB 0.964 32.776 31.823 -0.019 0.000 1.075 28 V HN 0.579 nan 8.190 nan 0.000 0.442 29 Y N 0.939 121.241 120.300 0.003 0.000 2.310 29 Y HA 0.655 5.225 4.550 0.033 0.000 0.326 29 Y C -0.007 175.893 175.900 0.001 0.000 1.151 29 Y CA -0.312 57.789 58.100 0.002 0.000 1.195 29 Y CB 1.832 40.292 38.460 -0.000 0.000 1.210 29 Y HN 0.662 nan 8.280 nan 0.000 0.483 30 L N 6.721 128.058 121.223 0.191 0.000 2.287 30 L HA 0.584 4.944 4.340 0.033 0.000 0.287 30 L C -2.660 174.264 176.870 0.090 0.000 1.022 30 L CA -2.136 52.767 54.840 0.105 0.000 0.814 30 L CB 0.899 43.000 42.059 0.070 0.000 1.217 30 L HN 0.341 nan 8.230 nan 0.000 0.420 31 P HA 0.064 nan 4.420 nan 0.000 0.269 31 P C -0.565 176.745 177.300 0.018 0.000 1.211 31 P CA 0.096 63.210 63.100 0.023 0.000 0.781 31 P CB 0.588 32.295 31.700 0.011 0.000 0.877 32 D N -1.107 119.295 120.400 0.004 0.000 2.366 32 D HA 0.005 4.665 4.640 0.033 0.000 0.205 32 D C 0.685 176.986 176.300 0.000 0.000 1.022 32 D CA 0.697 54.699 54.000 0.004 0.000 0.868 32 D CB -0.040 40.757 40.800 -0.004 0.000 0.953 32 D HN 0.473 nan 8.370 nan 0.000 0.514 33 N N 0.933 119.631 118.700 -0.003 0.000 2.314 33 N HA 0.608 5.368 4.740 0.033 0.000 0.304 33 N C -0.107 175.402 175.510 -0.003 0.000 1.073 33 N CA -0.675 52.372 53.050 -0.004 0.000 0.822 33 N CB 1.491 39.974 38.487 -0.007 0.000 1.280 33 N HN 0.085 nan 8.380 nan 0.000 0.489 34 I N -2.134 118.435 120.570 -0.002 0.000 2.982 34 I HA 0.705 4.895 4.170 0.033 0.000 0.312 34 I C -0.690 175.427 176.117 -0.001 0.000 1.041 34 I CA -1.022 60.277 61.300 -0.002 0.000 1.053 34 I CB 2.062 40.061 38.000 -0.001 0.000 1.248 34 I HN 0.412 nan 8.210 nan 0.000 0.471 35 N N 1.207 119.907 118.700 0.001 0.000 2.518 35 N HA 0.333 5.093 4.740 0.033 0.000 0.284 35 N C -0.764 174.751 175.510 0.008 0.000 1.230 35 N CA -0.730 52.321 53.050 0.001 0.000 0.941 35 N CB 0.603 39.090 38.487 -0.001 0.000 1.219 35 N HN 0.615 nan 8.380 nan 0.000 0.560 36 E N -0.184 120.019 120.200 0.004 0.000 2.437 36 E HA 0.161 4.531 4.350 0.033 0.000 0.263 36 E C 0.680 177.293 176.600 0.021 0.000 1.030 36 E CA 0.816 57.218 56.400 0.003 0.000 0.934 36 E CB 0.259 29.953 29.700 -0.010 0.000 0.943 36 E HN 0.803 nan 8.360 nan 0.000 0.444 37 G N 2.340 111.161 108.800 0.035 0.000 2.245 37 G HA2 -0.336 3.644 3.960 0.033 0.000 0.264 37 G HA3 -0.336 3.644 3.960 0.033 0.000 0.264 37 G C 0.293 175.303 174.900 0.184 0.000 0.985 37 G CA 0.621 45.795 45.100 0.122 0.000 0.625 37 G HN 0.510 nan 8.290 nan 0.000 0.536 38 Q N -0.468 119.386 119.800 0.089 0.000 2.215 38 Q HA 0.815 5.175 4.340 0.033 0.000 0.256 38 Q C 0.070 176.092 176.000 0.037 0.000 0.972 38 Q CA -0.003 55.825 55.803 0.042 0.000 0.889 38 Q CB 2.203 30.947 28.738 0.009 0.000 1.281 38 Q HN 1.069 nan 8.270 nan 0.000 0.456 39 V N 0.134 120.043 119.914 -0.008 0.000 3.078 39 V HA 0.515 4.655 4.120 0.033 0.000 0.311 39 V C -1.411 174.661 176.094 -0.038 0.000 1.138 39 V CA -0.898 61.394 62.300 -0.013 0.000 1.007 39 V CB 2.226 34.036 31.823 -0.022 0.000 1.045 39 V HN 0.642 nan 8.190 nan 0.000 0.432 40 Q N 1.872 121.659 119.800 -0.022 0.000 2.331 40 Q HA 0.753 5.113 4.340 0.033 0.000 0.267 40 Q C -1.992 174.006 176.000 -0.003 0.000 1.006 40 Q CA -0.476 55.314 55.803 -0.022 0.000 0.818 40 Q CB 2.094 30.829 28.738 -0.005 0.000 1.276 40 Q HN 0.721 nan 8.270 nan 0.000 0.450 41 V N 3.765 123.680 119.914 0.003 0.000 2.628 41 V HA 0.514 4.654 4.120 0.033 0.000 0.306 41 V C -0.348 175.841 176.094 0.159 0.000 1.045 41 V CA -0.940 61.414 62.300 0.091 0.000 0.905 41 V CB 1.800 33.690 31.823 0.111 0.000 0.997 41 V HN 0.792 nan 8.190 nan 0.000 0.436 42 R N 1.934 122.539 120.500 0.175 0.000 2.221 42 R HA 0.427 4.787 4.340 0.033 0.000 0.327 42 R C -0.284 176.163 176.300 0.245 0.000 1.033 42 R CA -0.222 55.978 56.100 0.167 0.000 0.887 42 R CB 0.873 31.226 30.300 0.087 0.000 1.057 42 R HN 0.814 nan 8.270 nan 0.000 0.455 43 T N 6.001 120.716 114.554 0.268 0.000 2.834 43 T HA 0.118 4.488 4.350 0.033 0.000 0.298 43 T C 1.186 175.844 174.700 -0.070 0.000 0.966 43 T CA -0.149 62.056 62.100 0.175 0.000 1.141 43 T CB 0.744 69.755 68.868 0.239 0.000 0.905 43 T HN 0.569 nan 8.240 nan 0.000 0.535 44 L N 1.805 122.909 121.223 -0.197 0.000 2.347 44 L HA 0.330 4.690 4.340 0.033 0.000 0.196 44 L C -0.281 176.228 176.870 -0.602 0.000 1.072 44 L CA 0.396 55.051 54.840 -0.308 0.000 0.817 44 L CB 0.186 42.171 42.059 -0.124 0.000 1.029 44 L HN 0.574 nan 8.230 nan 0.000 0.478 45 Y N -0.301 119.853 120.300 -0.242 0.000 2.512 45 Y HA 0.618 5.183 4.550 0.025 0.000 0.348 45 Y C -0.559 175.148 175.900 -0.322 0.000 0.990 45 Y CA -0.721 57.239 58.100 -0.232 0.000 1.033 45 Y CB 1.926 40.289 38.460 -0.161 0.000 1.259 45 Y HN -0.184 nan 8.280 nan 0.000 0.461 46 L N 1.594 122.736 121.223 -0.135 0.000 2.362 46 L HA 0.578 4.938 4.340 0.033 0.000 0.271 46 L C -0.140 176.647 176.870 -0.139 0.000 1.002 46 L CA -0.891 53.820 54.840 -0.215 0.000 0.818 46 L CB 2.220 44.011 42.059 -0.447 0.000 1.298 46 L HN 0.573 nan 8.230 nan 0.000 0.420 47 S N 1.450 117.125 115.700 -0.043 0.000 2.586 47 S HA 0.619 5.109 4.470 0.033 0.000 0.274 47 S C -0.518 174.113 174.600 0.050 0.000 1.281 47 S CA -0.655 57.564 58.200 0.032 0.000 1.035 47 S CB 1.188 64.462 63.200 0.124 0.000 0.962 47 S HN 0.405 nan 8.310 nan 0.000 0.512 48 V N 1.932 121.897 119.914 0.084 0.000 2.555 48 V HA 0.758 4.898 4.120 0.033 0.000 0.302 48 V C -0.950 175.294 176.094 0.251 0.000 1.038 48 V CA -0.716 61.721 62.300 0.228 0.000 0.887 48 V CB 1.787 33.776 31.823 0.276 0.000 0.991 48 V HN 0.834 nan 8.190 nan 0.000 0.434 49 D N 4.192 124.768 120.400 0.294 0.000 2.756 49 D HA 0.411 5.071 4.640 0.033 0.000 0.226 49 D C -2.388 174.065 176.300 0.255 0.000 1.186 49 D CA -1.160 52.979 54.000 0.232 0.000 0.845 49 D CB 2.967 43.912 40.800 0.243 0.000 1.610 49 D HN 0.248 nan 8.370 nan 0.000 0.465 50 P HA -0.147 nan 4.420 nan 0.000 0.219 50 P C 1.423 178.888 177.300 0.275 0.000 1.146 50 P CA 1.104 64.401 63.100 0.328 0.000 0.808 50 P CB -0.156 31.771 31.700 0.378 0.000 0.779 51 Y N -1.889 118.515 120.300 0.175 0.000 2.421 51 Y HA -0.012 4.557 4.550 0.032 0.000 0.292 51 Y C 1.933 177.787 175.900 -0.076 0.000 1.136 51 Y CA 0.728 58.808 58.100 -0.034 0.000 1.255 51 Y CB -1.585 36.871 38.460 -0.008 0.000 0.991 51 Y HN -0.166 nan 8.280 nan 0.000 0.552 52 M N 0.227 119.436 119.600 -0.653 0.000 2.358 52 M HA -0.134 4.366 4.480 0.033 0.000 0.264 52 M C 2.193 178.297 176.300 -0.327 0.000 1.064 52 M CA 1.436 56.354 55.300 -0.637 0.000 1.093 52 M CB -0.226 32.138 32.600 -0.392 0.000 1.401 52 M HN 0.234 nan 8.290 nan 0.000 0.440 53 R N 1.304 121.846 120.500 0.070 0.000 2.083 53 R HA -0.175 4.185 4.340 0.033 0.000 0.237 53 R C 2.346 178.610 176.300 -0.059 0.000 1.137 53 R CA 2.452 58.670 56.100 0.197 0.000 0.951 53 R CB -1.423 29.036 30.300 0.266 0.000 0.851 53 R HN 0.659 nan 8.270 nan 0.000 0.434 54 C N 0.034 119.224 119.300 -0.183 0.000 2.435 54 C HA 0.141 4.621 4.460 0.033 0.000 0.279 54 C C 2.181 177.018 174.990 -0.254 0.000 1.321 54 C CA 0.379 59.279 59.018 -0.197 0.000 1.752 54 C CB -0.898 26.709 27.740 -0.222 0.000 1.959 54 C HN 0.426 nan 8.230 nan 0.000 0.500 55 R N 0.748 120.980 120.500 -0.446 0.000 2.241 55 R HA 0.032 4.392 4.340 0.033 0.000 0.224 55 R C 1.996 178.013 176.300 -0.471 0.000 1.101 55 R CA 1.396 57.092 56.100 -0.674 0.000 0.995 55 R CB -0.380 29.014 30.300 -1.510 0.000 0.870 55 R HN 0.619 nan 8.270 nan 0.000 0.463 56 M N 0.332 119.765 119.600 -0.278 0.000 2.595 56 M HA 0.014 4.514 4.480 0.033 0.000 0.248 56 M C -0.043 176.228 176.300 -0.050 0.000 1.119 56 M CA 0.394 55.658 55.300 -0.059 0.000 1.079 56 M CB 0.046 32.645 32.600 -0.000 0.000 1.472 56 M HN -0.006 nan 8.290 nan 0.000 0.501 57 N N 0.707 119.362 118.700 -0.076 0.000 2.463 57 N HA 0.079 4.839 4.740 0.033 0.000 0.270 57 N C 0.534 176.015 175.510 -0.048 0.000 1.205 57 N CA -0.128 52.893 53.050 -0.047 0.000 0.974 57 N CB 0.673 39.134 38.487 -0.043 0.000 1.197 57 N HN 0.148 nan 8.380 nan 0.000 0.504 58 E N -0.440 119.742 120.200 -0.030 0.000 2.150 58 E HA -0.121 4.249 4.350 0.033 0.000 0.193 58 E C -0.445 176.137 176.600 -0.030 0.000 0.985 58 E CA 0.986 57.372 56.400 -0.024 0.000 0.814 58 E CB 0.189 29.880 29.700 -0.015 0.000 0.752 58 E HN 0.453 nan 8.360 nan 0.000 0.466 59 D N -1.039 119.341 120.400 -0.033 0.000 2.505 59 D HA 0.048 4.708 4.640 0.033 0.000 0.249 59 D C 0.597 176.866 176.300 -0.052 0.000 1.082 59 D CA -0.269 53.709 54.000 -0.035 0.000 0.839 59 D CB 1.703 42.490 40.800 -0.021 0.000 1.317 59 D HN -0.103 nan 8.370 nan 0.000 0.497 60 T N 0.424 114.940 114.554 -0.064 0.000 3.043 60 T HA 0.251 4.621 4.350 0.033 0.000 0.263 60 T C 1.493 176.157 174.700 -0.060 0.000 1.094 60 T CA 0.497 62.546 62.100 -0.085 0.000 1.127 60 T CB -0.155 68.651 68.868 -0.103 0.000 0.905 60 T HN 0.859 nan 8.240 nan 0.000 0.490 61 G N 0.783 109.563 108.800 -0.034 0.000 2.171 61 G HA2 -0.062 3.918 3.960 0.033 0.000 0.238 61 G HA3 -0.062 3.918 3.960 0.033 0.000 0.238 61 G C 0.120 175.018 174.900 -0.004 0.000 1.039 61 G CA 0.404 45.497 45.100 -0.011 0.000 0.759 61 G HN 1.346 nan 8.290 nan 0.000 0.501 62 T N -2.189 112.356 114.554 -0.015 0.000 3.343 62 T HA 0.426 4.796 4.350 0.033 0.000 0.383 62 T C 0.419 175.111 174.700 -0.013 0.000 1.615 62 T CA 0.512 62.606 62.100 -0.009 0.000 1.153 62 T CB 1.020 69.880 68.868 -0.013 0.000 1.434 62 T HN -0.114 nan 8.240 nan 0.000 0.476 63 D N 1.466 121.861 120.400 -0.007 0.000 2.097 63 D HA -0.116 4.544 4.640 0.033 0.000 0.195 63 D C 2.159 178.458 176.300 -0.002 0.000 0.989 63 D CA 2.330 56.327 54.000 -0.007 0.000 0.827 63 D CB -0.342 40.455 40.800 -0.006 0.000 0.966 63 D HN 0.760 nan 8.370 nan 0.000 0.456 64 Y N -0.379 119.919 120.300 -0.003 0.000 2.465 64 Y HA 0.103 4.673 4.550 0.033 0.000 0.289 64 Y C 1.300 177.217 175.900 0.029 0.000 1.150 64 Y CA -0.225 57.880 58.100 0.008 0.000 1.293 64 Y CB -1.323 37.129 38.460 -0.014 0.000 0.977 64 Y HN -0.098 nan 8.280 nan 0.000 0.556 65 I N 1.769 122.343 120.570 0.008 0.000 2.499 65 I HA 0.412 4.602 4.170 0.033 0.000 0.288 65 I C -0.231 175.873 176.117 -0.022 0.000 1.048 65 I CA -0.843 60.463 61.300 0.011 0.000 1.062 65 I CB 2.436 40.429 38.000 -0.012 0.000 1.238 65 I HN 0.227 nan 8.210 nan 0.000 0.426 66 T N 3.159 117.702 114.554 -0.018 0.000 2.902 66 T HA 0.574 4.944 4.350 0.033 0.000 0.283 66 T C -2.636 171.996 174.700 -0.113 0.000 1.009 66 T CA -2.187 59.887 62.100 -0.043 0.000 1.051 66 T CB 1.749 70.612 68.868 -0.008 0.000 0.999 66 T HN 0.275 nan 8.240 nan 0.000 0.474 67 P HA 0.125 nan 4.420 nan 0.000 0.275 67 P C -0.204 177.067 177.300 -0.048 0.000 1.227 67 P CA -0.558 62.452 63.100 -0.149 0.000 0.781 67 P CB 0.513 32.167 31.700 -0.077 0.000 0.906 68 W N 1.886 123.137 121.300 -0.081 0.000 2.170 68 W HA 0.092 4.772 4.660 0.033 0.000 0.342 68 W C 0.824 177.289 176.519 -0.090 0.000 1.294 68 W CA 0.355 57.637 57.345 -0.104 0.000 1.246 68 W CB -0.500 28.867 29.460 -0.154 0.000 1.156 68 W HN 0.353 nan 8.180 nan 0.000 0.572 69 Q N 1.337 121.231 119.800 0.157 0.000 2.222 69 Q HA 0.312 4.672 4.340 0.033 0.000 0.252 69 Q C -0.324 175.687 176.000 0.019 0.000 0.926 69 Q CA -1.402 54.436 55.803 0.059 0.000 0.899 69 Q CB 1.464 30.220 28.738 0.030 0.000 1.250 69 Q HN 0.155 nan 8.270 nan 0.000 0.441 70 L N 1.242 122.465 121.223 -0.001 0.000 2.490 70 L HA -0.000 4.359 4.340 0.033 0.000 0.274 70 L C 0.988 177.840 176.870 -0.030 0.000 1.201 70 L CA 1.185 56.010 54.840 -0.025 0.000 0.869 70 L CB 0.017 42.062 42.059 -0.023 0.000 1.123 70 L HN 0.874 nan 8.230 nan 0.000 0.484 71 S N -0.121 115.554 115.700 -0.042 0.000 2.769 71 S HA -0.207 4.283 4.470 0.033 0.000 0.264 71 S C 0.431 175.007 174.600 -0.040 0.000 1.288 71 S CA 1.392 59.571 58.200 -0.035 0.000 1.378 71 S CB -0.867 62.320 63.200 -0.022 0.000 1.702 71 S HN 0.687 nan 8.310 nan 0.000 0.656 72 Q N 0.221 119.990 119.800 -0.052 0.000 2.230 72 Q HA 0.593 4.953 4.340 0.033 0.000 0.253 72 Q C 0.236 176.164 176.000 -0.119 0.000 0.919 72 Q CA -0.078 55.688 55.803 -0.061 0.000 0.908 72 Q CB 1.950 30.666 28.738 -0.037 0.000 1.245 72 Q HN 0.495 nan 8.270 nan 0.000 0.437 73 V N 3.163 123.009 119.914 -0.113 0.000 2.720 73 V HA 0.093 4.233 4.120 0.033 0.000 0.307 73 V C 0.476 176.364 176.094 -0.344 0.000 1.071 73 V CA 0.596 62.796 62.300 -0.166 0.000 1.199 73 V CB 0.806 32.576 31.823 -0.090 0.000 0.900 73 V HN 0.732 nan 8.190 nan 0.000 0.494 74 V N 6.986 126.535 119.914 -0.609 0.000 2.953 74 V HA 0.650 4.790 4.120 0.033 0.000 0.304 74 V C -0.400 175.093 176.094 -1.001 0.000 1.073 74 V CA -0.057 61.496 62.300 -1.245 0.000 1.064 74 V CB 1.767 32.306 31.823 -2.139 0.000 1.047 74 V HN 1.117 nan 8.190 nan 0.000 0.478 75 D N 2.922 122.867 120.400 -0.759 0.000 2.645 75 D HA 0.826 5.486 4.640 0.033 0.000 0.228 75 D C -0.222 176.110 176.300 0.054 0.000 1.148 75 D CA 0.170 54.060 54.000 -0.184 0.000 0.860 75 D CB 1.744 42.605 40.800 0.101 0.000 1.548 75 D HN 1.141 nan 8.370 nan 0.000 0.460 76 G N -1.018 107.933 108.800 0.252 0.000 2.427 76 G HA2 0.535 4.515 3.960 0.033 0.000 0.306 76 G HA3 0.535 4.515 3.960 0.033 0.000 0.306 76 G C -0.395 174.592 174.900 0.144 0.000 1.280 76 G CA -0.381 44.815 45.100 0.159 0.000 0.837 76 G HN 0.644 nan 8.290 nan 0.000 0.482 77 G N -0.898 107.925 108.800 0.038 0.000 2.265 77 G HA2 0.578 4.558 3.960 0.033 0.000 0.240 77 G HA3 0.578 4.558 3.960 0.033 0.000 0.240 77 G C 0.415 175.408 174.900 0.154 0.000 1.270 77 G CA 1.034 46.231 45.100 0.162 0.000 0.901 77 G HN 1.556 nan 8.290 nan 0.000 0.507 78 G N 0.295 109.170 108.800 0.124 0.000 2.704 78 G HA2 0.573 4.553 3.960 0.033 0.000 0.293 78 G HA3 0.573 4.553 3.960 0.033 0.000 0.293 78 G C -1.479 173.171 174.900 -0.417 0.000 1.421 78 G CA -0.725 44.222 45.100 -0.254 0.000 0.870 78 G HN 0.895 nan 8.290 nan 0.000 0.492 79 I N 0.374 120.563 120.570 -0.635 0.000 2.647 79 I HA 0.846 5.036 4.170 0.033 0.000 0.295 79 I C 0.063 175.836 176.117 -0.573 0.000 1.078 79 I CA -0.511 60.532 61.300 -0.427 0.000 1.048 79 I CB 2.151 40.140 38.000 -0.019 0.000 1.239 79 I HN 0.927 nan 8.210 nan 0.000 0.421 80 G N 6.443 115.106 108.800 -0.229 0.000 2.608 80 G HA2 0.495 4.475 3.960 0.033 0.000 0.291 80 G HA3 0.495 4.475 3.960 0.033 0.000 0.291 80 G C -2.225 172.881 174.900 0.344 0.000 1.425 80 G CA -0.637 44.529 45.100 0.109 0.000 0.787 80 G HN 0.701 nan 8.290 nan 0.000 0.484 81 I N 0.318 121.038 120.570 0.250 0.000 2.441 81 I HA 0.567 4.757 4.170 0.033 0.000 0.295 81 I C -0.276 175.863 176.117 0.037 0.000 0.994 81 I CA -1.299 60.026 61.300 0.042 0.000 1.144 81 I CB 1.323 39.250 38.000 -0.122 0.000 1.314 81 I HN 0.400 nan 8.210 nan 0.000 0.445 82 I N 7.402 127.955 120.570 -0.028 0.000 2.598 82 I HA 0.029 4.219 4.170 0.033 0.000 0.284 82 I C 0.926 177.025 176.117 -0.031 0.000 1.140 82 I CA 0.599 61.894 61.300 -0.009 0.000 1.420 82 I CB 0.709 38.697 38.000 -0.021 0.000 1.387 82 I HN 0.729 nan 8.210 nan 0.000 0.553 83 E N 4.198 124.396 120.200 -0.003 0.000 2.389 83 E HA 0.118 4.488 4.350 0.033 0.000 0.199 83 E C 0.165 176.762 176.600 -0.006 0.000 0.978 83 E CA 0.270 56.667 56.400 -0.006 0.000 0.912 83 E CB 0.729 30.434 29.700 0.010 0.000 0.907 83 E HN 0.587 nan 8.360 nan 0.000 0.494 84 E N 0.261 120.460 120.200 -0.002 0.000 2.380 84 E HA 0.216 4.586 4.350 0.033 0.000 0.281 84 E C -1.765 174.838 176.600 0.006 0.000 0.999 84 E CA -0.437 55.964 56.400 0.001 0.000 0.800 84 E CB 1.720 31.422 29.700 0.003 0.000 1.228 84 E HN 0.045 nan 8.360 nan 0.000 0.436 85 S N 2.323 118.032 115.700 0.013 0.000 2.536 85 S HA 0.522 5.012 4.470 0.033 0.000 0.271 85 S C -0.538 174.084 174.600 0.035 0.000 1.134 85 S CA -0.936 57.283 58.200 0.031 0.000 0.897 85 S CB 1.797 65.024 63.200 0.045 0.000 1.094 85 S HN 0.505 nan 8.310 nan 0.000 0.473 86 K N 0.990 121.419 120.400 0.049 0.000 2.646 86 K HA 0.216 4.556 4.320 0.033 0.000 0.206 86 K C -0.426 176.207 176.600 0.057 0.000 1.069 86 K CA -0.354 55.954 56.287 0.035 0.000 1.067 86 K CB 0.225 32.736 32.500 0.019 0.000 0.807 86 K HN 0.712 nan 8.250 nan 0.000 0.482 87 H N 0.388 119.453 119.070 -0.007 0.000 2.459 87 H HA 0.070 4.646 4.556 0.033 0.000 0.332 87 H C 0.766 176.094 175.328 -0.001 0.000 1.094 87 H CA 0.190 56.236 56.048 -0.004 0.000 1.224 87 H CB 2.087 31.846 29.762 -0.004 0.000 1.449 87 H HN 0.006 nan 8.280 nan 0.000 0.484 88 T N 2.632 117.017 114.554 -0.281 0.000 2.788 88 T HA -0.143 4.227 4.350 0.033 0.000 0.268 88 T C 0.895 175.606 174.700 0.020 0.000 1.044 88 T CA 1.852 63.881 62.100 -0.118 0.000 1.139 88 T CB -0.006 68.759 68.868 -0.171 0.000 0.867 88 T HN 0.722 nan 8.240 nan 0.000 0.454 89 N N 0.002 118.792 118.700 0.151 0.000 2.398 89 N HA 0.305 5.065 4.740 0.033 0.000 0.188 89 N C -0.608 174.999 175.510 0.161 0.000 1.122 89 N CA 0.053 53.207 53.050 0.174 0.000 0.866 89 N CB 0.249 38.865 38.487 0.215 0.000 0.970 89 N HN 0.362 nan 8.380 nan 0.000 0.462 90 L N -0.054 121.276 121.223 0.179 0.000 2.401 90 L HA 0.529 4.889 4.340 0.033 0.000 0.266 90 L C -0.382 176.527 176.870 0.066 0.000 0.991 90 L CA -0.777 54.123 54.840 0.100 0.000 0.818 90 L CB 2.230 44.333 42.059 0.074 0.000 1.321 90 L HN -0.014 nan 8.230 nan 0.000 0.413 91 T N -1.893 112.680 114.554 0.031 0.000 2.883 91 T HA 0.376 4.746 4.350 0.033 0.000 0.296 91 T C -0.620 174.071 174.700 -0.014 0.000 1.117 91 T CA -1.060 61.048 62.100 0.013 0.000 1.006 91 T CB 1.822 70.696 68.868 0.011 0.000 1.191 91 T HN 0.498 nan 8.240 nan 0.000 0.508 92 K N 0.084 120.472 120.400 -0.019 0.000 2.530 92 K HA 0.286 4.626 4.320 0.033 0.000 0.280 92 K C 1.451 178.004 176.600 -0.078 0.000 1.004 92 K CA 1.673 57.934 56.287 -0.042 0.000 1.071 92 K CB -0.696 31.787 32.500 -0.029 0.000 0.876 92 K HN 1.246 nan 8.250 nan 0.000 0.487 93 G N 3.021 111.735 108.800 -0.143 0.000 2.213 93 G HA2 -0.211 3.769 3.960 0.033 0.000 0.236 93 G HA3 -0.211 3.769 3.960 0.033 0.000 0.236 93 G C -0.370 174.295 174.900 -0.392 0.000 0.991 93 G CA 0.133 45.083 45.100 -0.250 0.000 0.629 93 G HN 0.738 nan 8.290 nan 0.000 0.517 94 D N 0.369 120.633 120.400 -0.227 0.000 2.423 94 D HA 0.439 5.099 4.640 0.033 0.000 0.238 94 D C 0.211 176.350 176.300 -0.269 0.000 1.142 94 D CA 0.437 54.340 54.000 -0.163 0.000 0.884 94 D CB 0.303 41.085 40.800 -0.029 0.000 1.199 94 D HN 0.097 nan 8.370 nan 0.000 0.438 95 F N 0.692 120.685 119.950 0.072 0.000 2.420 95 F HA 0.349 4.883 4.527 0.011 0.000 0.342 95 F C 0.582 176.421 175.800 0.065 0.000 1.113 95 F CA -0.759 57.291 58.000 0.083 0.000 1.059 95 F CB 1.287 40.341 39.000 0.090 0.000 1.128 95 F HN -0.002 nan 8.300 nan 0.000 0.475 96 V N -0.504 119.584 119.914 0.289 0.000 3.078 96 V HA 0.951 5.091 4.120 0.033 0.000 0.311 96 V C -0.519 175.756 176.094 0.301 0.000 1.138 96 V CA -0.842 61.599 62.300 0.235 0.000 1.007 96 V CB 1.554 33.515 31.823 0.231 0.000 1.045 96 V HN 0.787 nan 8.190 nan 0.000 0.432 97 T N -1.015 113.691 114.554 0.252 0.000 2.901 97 T HA 0.856 5.226 4.350 0.033 0.000 0.293 97 T C -0.432 174.500 174.700 0.387 0.000 1.084 97 T CA -0.348 61.932 62.100 0.299 0.000 1.008 97 T CB 1.777 70.717 68.868 0.121 0.000 1.170 97 T HN 1.630 nan 8.240 nan 0.000 0.509 98 S N -0.381 115.609 115.700 0.484 0.000 2.537 98 S HA 0.523 5.013 4.470 0.033 0.000 0.271 98 S C -0.783 174.053 174.600 0.393 0.000 1.148 98 S CA -0.687 57.770 58.200 0.430 0.000 0.868 98 S CB 1.404 64.875 63.200 0.452 0.000 1.115 98 S HN 0.697 nan 8.310 nan 0.000 0.461 99 F N 2.907 122.876 119.950 0.031 0.000 2.710 99 F HA 0.402 4.948 4.527 0.032 0.000 0.298 99 F C -0.182 175.426 175.800 -0.320 0.000 1.137 99 F CA 0.268 58.140 58.000 -0.212 0.000 1.444 99 F CB 0.165 38.872 39.000 -0.488 0.000 1.111 99 F HN 0.653 nan 8.300 nan 0.000 0.580 100 Y N -0.983 119.474 120.300 0.262 0.000 2.557 100 Y HA 0.162 4.732 4.550 0.034 0.000 0.352 100 Y C -0.171 175.851 175.900 0.202 0.000 0.918 100 Y CA -1.279 56.922 58.100 0.168 0.000 1.232 100 Y CB -0.618 37.921 38.460 0.133 0.000 1.235 100 Y HN -0.011 nan 8.280 nan 0.000 0.596 101 W N 5.073 126.484 121.300 0.185 0.000 2.345 101 W HA 0.294 4.975 4.660 0.034 0.000 0.308 101 W C -2.781 173.858 176.519 0.200 0.000 1.273 101 W CA -2.542 54.911 57.345 0.181 0.000 1.243 101 W CB 1.353 30.917 29.460 0.173 0.000 1.260 101 W HN 0.208 nan 8.180 nan 0.000 0.509 102 P HA -0.096 nan 4.420 nan 0.000 0.271 102 P C -0.524 177.057 177.300 0.467 0.000 1.216 102 P CA 0.345 63.573 63.100 0.213 0.000 0.776 102 P CB 0.286 32.023 31.700 0.061 0.000 0.881 103 W N 4.199 125.528 121.300 0.049 0.000 2.429 103 W HA 0.319 5.000 4.660 0.035 0.000 0.431 103 W C 0.598 177.129 176.519 0.020 0.000 1.038 103 W CA 0.507 57.862 57.345 0.016 0.000 1.635 103 W CB -1.060 28.327 29.460 -0.121 0.000 1.721 103 W HN 0.373 nan 8.180 nan 0.000 0.366 104 Q N 0.509 120.477 119.800 0.281 0.000 2.426 104 Q HA 0.130 4.490 4.340 0.033 0.000 0.278 104 Q C 0.988 177.088 176.000 0.167 0.000 1.007 104 Q CA -0.101 55.802 55.803 0.168 0.000 0.850 104 Q CB 1.594 30.408 28.738 0.126 0.000 1.427 104 Q HN 0.240 nan 8.270 nan 0.000 0.391 105 T N -0.234 114.378 114.554 0.097 0.000 2.812 105 T HA 0.172 4.542 4.350 0.033 0.000 0.264 105 T C 0.210 174.977 174.700 0.111 0.000 1.042 105 T CA 0.757 62.904 62.100 0.079 0.000 1.140 105 T CB 0.119 69.004 68.868 0.028 0.000 0.870 105 T HN 0.394 nan 8.240 nan 0.000 0.445 106 K N 0.243 120.700 120.400 0.094 0.000 2.422 106 K HA 0.756 5.096 4.320 0.033 0.000 0.251 106 K C -1.833 174.808 176.600 0.067 0.000 0.933 106 K CA -0.878 55.465 56.287 0.093 0.000 0.798 106 K CB 3.191 35.728 32.500 0.061 0.000 1.238 106 K HN 0.070 nan 8.250 nan 0.000 0.428 107 V N 3.476 123.412 119.914 0.038 0.000 3.048 107 V HA 0.499 4.639 4.120 0.033 0.000 0.303 107 V C -1.698 174.351 176.094 -0.075 0.000 1.214 107 V CA -0.799 61.483 62.300 -0.030 0.000 0.984 107 V CB 2.103 33.875 31.823 -0.084 0.000 1.054 107 V HN 0.673 nan 8.190 nan 0.000 0.430 108 I N 6.141 126.666 120.570 -0.075 0.000 2.354 108 I HA 0.546 4.736 4.170 0.033 0.000 0.292 108 I C -0.541 175.507 176.117 -0.115 0.000 0.989 108 I CA -0.291 60.962 61.300 -0.078 0.000 1.188 108 I CB 1.481 39.457 38.000 -0.041 0.000 1.342 108 I HN 0.423 nan 8.210 nan 0.000 0.457 109 L N 4.241 125.382 121.223 -0.137 0.000 2.303 109 L HA 0.500 4.860 4.340 0.033 0.000 0.256 109 L C -0.630 176.178 176.870 -0.103 0.000 1.034 109 L CA -1.006 53.741 54.840 -0.155 0.000 0.832 109 L CB 1.813 43.712 42.059 -0.266 0.000 1.403 109 L HN 0.423 nan 8.230 nan 0.000 0.419 110 D N 0.419 120.768 120.400 -0.086 0.000 2.317 110 D HA 0.138 4.798 4.640 0.033 0.000 0.252 110 D C 1.110 177.351 176.300 -0.098 0.000 1.174 110 D CA 0.119 54.087 54.000 -0.053 0.000 0.866 110 D CB 2.013 42.793 40.800 -0.033 0.000 1.127 110 D HN 0.633 nan 8.370 nan 0.000 0.467 111 G N 4.026 112.756 108.800 -0.117 0.000 2.501 111 G HA2 -0.274 3.705 3.960 0.033 0.000 0.220 111 G HA3 -0.274 3.705 3.960 0.033 0.000 0.220 111 G C 1.240 175.809 174.900 -0.552 0.000 1.114 111 G CA 0.246 45.079 45.100 -0.446 0.000 0.757 111 G HN 0.542 nan 8.290 nan 0.000 0.559 112 N N 0.711 119.285 118.700 -0.210 0.000 2.376 112 N HA -0.076 4.684 4.740 0.033 0.000 0.177 112 N C 2.392 177.880 175.510 -0.036 0.000 1.024 112 N CA 1.154 54.155 53.050 -0.081 0.000 0.893 112 N CB -0.042 38.468 38.487 0.038 0.000 0.980 112 N HN 0.449 nan 8.380 nan 0.000 0.439 113 S N 0.146 115.829 115.700 -0.027 0.000 2.607 113 S HA 0.112 4.602 4.470 0.033 0.000 0.224 113 S C 0.884 175.525 174.600 0.069 0.000 0.969 113 S CA 0.052 58.281 58.200 0.048 0.000 0.927 113 S CB -0.190 63.043 63.200 0.055 0.000 0.772 113 S HN 0.105 nan 8.310 nan 0.000 0.533 114 L N 1.031 122.253 121.223 -0.002 0.000 2.344 114 L HA 0.604 4.964 4.340 0.033 0.000 0.272 114 L C -0.115 176.779 176.870 0.039 0.000 1.035 114 L CA -0.697 54.165 54.840 0.038 0.000 0.807 114 L CB 1.852 43.904 42.059 -0.011 0.000 1.237 114 L HN 0.017 nan 8.230 nan 0.000 0.442 115 E N 0.370 120.616 120.200 0.077 0.000 2.234 115 E HA 0.226 4.596 4.350 0.033 0.000 0.266 115 E C -0.984 175.640 176.600 0.041 0.000 0.877 115 E CA -1.069 55.361 56.400 0.050 0.000 0.758 115 E CB 2.389 32.120 29.700 0.052 0.000 1.170 115 E HN 0.428 nan 8.360 nan 0.000 0.415 116 K N 1.722 122.140 120.400 0.031 0.000 2.379 116 K HA 0.247 4.587 4.320 0.033 0.000 0.284 116 K C -0.186 176.402 176.600 -0.021 0.000 1.044 116 K CA -0.198 56.109 56.287 0.034 0.000 0.974 116 K CB 0.211 32.739 32.500 0.048 0.000 0.962 116 K HN 0.383 nan 8.250 nan 0.000 0.474 117 V N 0.617 120.497 119.914 -0.057 0.000 2.732 117 V HA 0.484 4.624 4.120 0.033 0.000 0.310 117 V C -0.525 175.566 176.094 -0.005 0.000 1.053 117 V CA -0.939 61.210 62.300 -0.251 0.000 0.957 117 V CB 1.747 33.066 31.823 -0.841 0.000 1.018 117 V HN 0.806 nan 8.190 nan 0.000 0.452 118 D N 4.196 124.643 120.400 0.078 0.000 2.473 118 D HA 0.437 5.097 4.640 0.033 0.000 0.226 118 D C -1.350 175.155 176.300 0.343 0.000 1.089 118 D CA -2.376 51.750 54.000 0.210 0.000 0.883 118 D CB 1.791 42.690 40.800 0.165 0.000 1.029 118 D HN 0.384 nan 8.370 nan 0.000 0.517 119 P HA -0.239 nan 4.420 nan 0.000 0.219 119 P C 1.368 178.724 177.300 0.095 0.000 1.144 119 P CA 1.324 64.513 63.100 0.147 0.000 0.806 119 P CB 0.074 31.752 31.700 -0.036 0.000 0.771 120 Q N 0.423 120.299 119.800 0.127 0.000 2.226 120 Q HA -0.132 4.228 4.340 0.033 0.000 0.204 120 Q C 2.338 178.407 176.000 0.114 0.000 0.975 120 Q CA 1.502 57.366 55.803 0.101 0.000 0.866 120 Q CB -1.692 27.104 28.738 0.096 0.000 0.915 120 Q HN 0.322 nan 8.270 nan 0.000 0.440 121 L N 0.279 121.596 121.223 0.156 0.000 2.201 121 L HA -0.050 4.310 4.340 0.033 0.000 0.212 121 L C 1.972 178.888 176.870 0.076 0.000 1.105 121 L CA 1.420 56.348 54.840 0.147 0.000 0.775 121 L CB 0.056 42.266 42.059 0.253 0.000 0.913 121 L HN 0.511 nan 8.230 nan 0.000 0.440 122 V N -5.950 113.924 119.914 -0.067 0.000 3.176 122 V HA 0.270 4.410 4.120 0.033 0.000 0.332 122 V C 0.028 176.170 176.094 0.080 0.000 1.414 122 V CA -0.454 61.763 62.300 -0.137 0.000 1.133 122 V CB 0.074 31.510 31.823 -0.645 0.000 1.088 122 V HN 0.241 nan 8.190 nan 0.000 0.473 123 D N 1.701 122.187 120.400 0.143 0.000 2.708 123 D HA -0.163 4.497 4.640 0.033 0.000 0.236 123 D C 1.530 177.842 176.300 0.020 0.000 1.146 123 D CA 1.820 55.904 54.000 0.139 0.000 0.662 123 D CB -1.408 39.564 40.800 0.286 0.000 1.059 123 D HN 1.309 nan 8.370 nan 0.000 0.428 124 G N -0.244 108.508 108.800 -0.081 0.000 2.189 124 G HA2 -0.374 3.606 3.960 0.033 0.000 0.267 124 G HA3 -0.374 3.606 3.960 0.033 0.000 0.267 124 G C 0.271 174.977 174.900 -0.324 0.000 0.975 124 G CA 0.415 45.404 45.100 -0.186 0.000 0.644 124 G HN 0.622 nan 8.290 nan 0.000 0.537 125 H N 1.035 119.860 119.070 -0.407 0.000 2.923 125 H HA 0.358 4.941 4.556 0.044 0.000 0.251 125 H C 2.097 176.976 175.328 -0.749 0.000 1.741 125 H CA 0.204 55.838 56.048 -0.690 0.000 1.387 125 H CB -0.199 28.809 29.762 -1.256 0.000 1.740 125 H HN 0.332 nan 8.280 nan 0.000 0.544 126 L N 1.147 122.122 121.223 -0.412 0.000 2.081 126 L HA -0.258 4.102 4.340 0.033 0.000 0.212 126 L C 2.544 179.210 176.870 -0.341 0.000 1.080 126 L CA 1.552 56.227 54.840 -0.275 0.000 0.754 126 L CB -0.468 41.523 42.059 -0.114 0.000 0.893 126 L HN 0.442 nan 8.230 nan 0.000 0.433 127 S N -1.083 114.205 115.700 -0.686 0.000 2.419 127 S HA -0.222 4.268 4.470 0.033 0.000 0.235 127 S C 1.913 176.373 174.600 -0.233 0.000 1.019 127 S CA 0.912 58.688 58.200 -0.706 0.000 0.982 127 S CB -0.719 61.855 63.200 -1.042 0.000 0.789 127 S HN 0.350 nan 8.310 nan 0.000 0.490 128 Y N 0.932 121.001 120.300 -0.385 0.000 2.384 128 Y HA 0.071 4.647 4.550 0.044 0.000 0.289 128 Y C 1.784 177.518 175.900 -0.278 0.000 1.152 128 Y CA -0.628 57.239 58.100 -0.388 0.000 1.258 128 Y CB -1.362 36.763 38.460 -0.558 0.000 0.979 128 Y HN 0.255 nan 8.280 nan 0.000 0.549 129 F N -0.606 119.334 119.950 -0.016 0.000 2.494 129 F HA -0.112 4.430 4.527 0.025 0.000 0.298 129 F C 1.654 177.449 175.800 -0.007 0.000 1.106 129 F CA 0.848 58.839 58.000 -0.016 0.000 1.452 129 F CB -0.636 38.351 39.000 -0.021 0.000 1.085 129 F HN 0.011 nan 8.300 nan 0.000 0.569 130 L N -2.140 119.163 121.223 0.133 0.000 2.693 130 L HA 0.351 4.711 4.340 0.033 0.000 0.235 130 L C 1.586 178.500 176.870 0.074 0.000 1.127 130 L CA 0.277 55.179 54.840 0.104 0.000 0.914 130 L CB -0.205 41.891 42.059 0.063 0.000 1.193 130 L HN 0.125 nan 8.230 nan 0.000 0.502 131 G N -0.750 108.071 108.800 0.035 0.000 2.890 131 G HA2 0.329 4.309 3.960 0.033 0.000 0.199 131 G HA3 0.329 4.309 3.960 0.033 0.000 0.199 131 G C 1.023 175.895 174.900 -0.046 0.000 1.729 131 G CA 0.521 45.615 45.100 -0.009 0.000 0.767 131 G HN -0.031 nan 8.290 nan 0.000 0.804 132 A N -0.162 122.573 122.820 -0.142 0.000 2.015 132 A HA 0.184 4.524 4.320 0.033 0.000 0.219 132 A C 1.467 178.988 177.584 -0.105 0.000 1.163 132 A CA 1.119 53.061 52.037 -0.159 0.000 0.646 132 A CB -0.338 18.482 19.000 -0.301 0.000 0.806 132 A HN 0.309 nan 8.150 nan 0.000 0.448 133 I N -0.649 119.859 120.570 -0.103 0.000 3.637 133 I HA 0.302 4.492 4.170 0.033 0.000 0.342 133 I C 0.830 177.008 176.117 0.101 0.000 1.545 133 I CA 0.480 61.767 61.300 -0.022 0.000 1.126 133 I CB -1.083 36.854 38.000 -0.104 0.000 1.375 133 I HN 0.201 nan 8.210 nan 0.000 0.467 134 G N 0.168 109.002 108.800 0.056 0.000 3.085 134 G HA2 0.311 4.291 3.960 0.033 0.000 0.264 134 G HA3 0.311 4.291 3.960 0.033 0.000 0.264 134 G C 0.660 175.543 174.900 -0.028 0.000 1.206 134 G CA -0.271 44.868 45.100 0.065 0.000 0.809 134 G HN -0.040 nan 8.290 nan 0.000 0.592 135 M N 0.566 120.147 119.600 -0.032 0.000 2.082 135 M HA -0.063 4.437 4.480 0.033 0.000 0.258 135 M C -0.566 175.720 176.300 -0.024 0.000 1.069 135 M CA 2.157 57.406 55.300 -0.086 0.000 1.102 135 M CB -1.241 31.349 32.600 -0.017 0.000 1.336 135 M HN 0.190 nan 8.290 nan 0.000 0.404 136 P HA -0.014 nan 4.420 nan 0.000 0.219 136 P C 1.414 178.735 177.300 0.036 0.000 1.150 136 P CA 1.830 64.969 63.100 0.064 0.000 0.814 136 P CB -0.527 31.215 31.700 0.071 0.000 0.787 137 G N 0.004 108.805 108.800 0.003 0.000 2.404 137 G HA2 -0.197 3.783 3.960 0.033 0.000 0.215 137 G HA3 -0.197 3.783 3.960 0.033 0.000 0.215 137 G C 1.497 176.406 174.900 0.014 0.000 1.174 137 G CA 0.471 45.572 45.100 0.002 0.000 0.780 137 G HN 0.199 nan 8.290 nan 0.000 0.537 138 L N 0.578 121.782 121.223 -0.032 0.000 2.012 138 L HA -0.138 4.222 4.340 0.033 0.000 0.210 138 L C 3.231 180.131 176.870 0.050 0.000 1.073 138 L CA 1.768 56.572 54.840 -0.059 0.000 0.748 138 L CB -0.987 40.893 42.059 -0.298 0.000 0.891 138 L HN 0.174 nan 8.230 nan 0.000 0.431 139 T N -0.929 113.680 114.554 0.091 0.000 2.665 139 T HA -0.211 4.159 4.350 0.033 0.000 0.268 139 T C 2.122 177.022 174.700 0.334 0.000 1.035 139 T CA 1.808 64.085 62.100 0.294 0.000 1.151 139 T CB -0.243 68.791 68.868 0.278 0.000 0.862 139 T HN 0.297 nan 8.240 nan 0.000 0.438 140 S N 1.251 117.067 115.700 0.194 0.000 2.348 140 S HA -0.034 4.456 4.470 0.033 0.000 0.221 140 S C 1.963 176.579 174.600 0.026 0.000 1.033 140 S CA 0.888 59.120 58.200 0.053 0.000 1.010 140 S CB -0.534 62.544 63.200 -0.203 0.000 0.891 140 S HN 0.309 nan 8.310 nan 0.000 0.442 141 L N 1.834 123.085 121.223 0.047 0.000 2.027 141 L HA 0.079 4.439 4.340 0.033 0.000 0.206 141 L C 1.936 178.821 176.870 0.025 0.000 1.074 141 L CA 1.592 56.476 54.840 0.073 0.000 0.745 141 L CB -0.615 41.522 42.059 0.130 0.000 0.898 141 L HN 0.277 nan 8.230 nan 0.000 0.433 142 I N -0.440 120.150 120.570 0.033 0.000 2.252 142 I HA -0.170 4.020 4.170 0.033 0.000 0.245 142 I C 2.469 178.427 176.117 -0.266 0.000 1.102 142 I CA 1.138 62.423 61.300 -0.025 0.000 1.385 142 I CB -1.032 37.037 38.000 0.115 0.000 1.064 142 I HN 0.428 nan 8.210 nan 0.000 0.414 143 G N 1.384 109.942 108.800 -0.404 0.000 2.459 143 G HA2 -0.240 3.740 3.960 0.033 0.000 0.217 143 G HA3 -0.240 3.740 3.960 0.033 0.000 0.217 143 G C 1.685 176.315 174.900 -0.450 0.000 1.183 143 G CA 0.805 45.315 45.100 -0.982 0.000 0.776 143 G HN 0.313 nan 8.290 nan 0.000 0.552 144 I N 0.064 120.552 120.570 -0.136 0.000 2.208 144 I HA -0.217 3.973 4.170 0.033 0.000 0.245 144 I C 2.926 178.959 176.117 -0.141 0.000 1.097 144 I CA 1.329 62.582 61.300 -0.079 0.000 1.363 144 I CB -0.186 37.793 38.000 -0.034 0.000 1.051 144 I HN 0.163 nan 8.210 nan 0.000 0.413 145 Q N 0.645 120.359 119.800 -0.143 0.000 2.020 145 Q HA -0.197 4.163 4.340 0.033 0.000 0.202 145 Q C 2.084 177.951 176.000 -0.223 0.000 0.982 145 Q CA 1.643 57.362 55.803 -0.141 0.000 0.838 145 Q CB -0.005 28.680 28.738 -0.088 0.000 0.899 145 Q HN 0.340 nan 8.270 nan 0.000 0.423 146 E N -0.758 119.273 120.200 -0.281 0.000 2.299 146 E HA -0.019 4.351 4.350 0.033 0.000 0.193 146 E C 1.056 177.502 176.600 -0.258 0.000 0.998 146 E CA 0.635 56.880 56.400 -0.259 0.000 0.851 146 E CB 0.411 29.944 29.700 -0.278 0.000 0.795 146 E HN 0.160 nan 8.360 nan 0.000 0.492 147 K N -1.071 119.158 120.400 -0.286 0.000 2.502 147 K HA 0.213 4.553 4.320 0.033 0.000 0.211 147 K C 1.679 178.223 176.600 -0.093 0.000 1.259 147 K CA 0.592 56.789 56.287 -0.150 0.000 0.983 147 K CB 0.809 33.193 32.500 -0.193 0.000 1.054 147 K HN 0.088 nan 8.250 nan 0.000 0.572 148 G N 0.250 108.955 108.800 -0.159 0.000 2.453 148 G HA2 -0.164 3.816 3.960 0.033 0.000 0.215 148 G HA3 -0.164 3.816 3.960 0.033 0.000 0.215 148 G C -0.108 174.756 174.900 -0.060 0.000 1.147 148 G CA 0.256 45.315 45.100 -0.069 0.000 0.802 148 G HN 0.453 nan 8.290 nan 0.000 0.535 149 H N -0.590 118.330 119.070 -0.251 0.000 2.713 149 H HA -0.129 4.447 4.556 0.034 0.000 0.311 149 H C 0.049 175.322 175.328 -0.093 0.000 1.175 149 H CA 0.451 56.367 56.048 -0.221 0.000 1.143 149 H CB -1.913 27.595 29.762 -0.423 0.000 1.434 149 H HN 0.374 nan 8.280 nan 0.000 0.418 150 I N 0.970 121.533 120.570 -0.013 0.000 2.416 150 I HA 0.128 4.318 4.170 0.033 0.000 0.288 150 I C 0.721 176.843 176.117 0.007 0.000 1.051 150 I CA 0.113 61.418 61.300 0.009 0.000 1.375 150 I CB 1.108 39.105 38.000 -0.005 0.000 1.407 150 I HN 0.132 nan 8.210 nan 0.000 0.516 151 T N 4.879 119.448 114.554 0.025 0.000 2.895 151 T HA 0.558 4.928 4.350 0.033 0.000 0.283 151 T C 0.127 174.842 174.700 0.026 0.000 1.014 151 T CA -0.619 61.495 62.100 0.025 0.000 1.037 151 T CB 1.769 70.657 68.868 0.033 0.000 1.006 151 T HN 0.682 nan 8.240 nan 0.000 0.468 152 A N 0.929 123.765 122.820 0.027 0.000 2.450 152 A HA 0.594 4.934 4.320 0.033 0.000 0.255 152 A C 1.444 179.042 177.584 0.024 0.000 1.096 152 A CA 0.353 52.407 52.037 0.028 0.000 0.778 152 A CB -0.783 18.235 19.000 0.031 0.000 1.031 152 A HN 1.617 nan 8.150 nan 0.000 0.494 153 G N 1.122 109.935 108.800 0.022 0.000 2.195 153 G HA2 -0.127 3.853 3.960 0.033 0.000 0.224 153 G HA3 -0.127 3.853 3.960 0.033 0.000 0.224 153 G C 0.541 175.453 174.900 0.020 0.000 0.990 153 G CA 0.626 45.737 45.100 0.019 0.000 0.639 153 G HN 2.066 nan 8.290 nan 0.000 0.514 154 S N -0.189 115.525 115.700 0.023 0.000 2.687 154 S HA 0.689 5.179 4.470 0.033 0.000 0.283 154 S C 0.092 174.704 174.600 0.021 0.000 1.170 154 S CA -0.359 57.855 58.200 0.024 0.000 1.008 154 S CB 1.609 64.827 63.200 0.030 0.000 1.026 154 S HN 0.243 nan 8.310 nan 0.000 0.541 155 N N 1.113 119.824 118.700 0.019 0.000 2.679 155 N HA 0.194 4.954 4.740 0.033 0.000 0.302 155 N C -1.174 174.346 175.510 0.016 0.000 1.941 155 N CA -0.292 52.768 53.050 0.017 0.000 0.875 155 N CB 0.829 39.324 38.487 0.014 0.000 1.278 155 N HN 0.558 nan 8.380 nan 0.000 0.490 156 K N 0.631 121.042 120.400 0.017 0.000 2.258 156 K HA 0.221 4.561 4.320 0.033 0.000 0.264 156 K C 0.334 176.937 176.600 0.005 0.000 1.007 156 K CA 0.248 56.545 56.287 0.017 0.000 0.941 156 K CB 0.761 33.277 32.500 0.026 0.000 0.966 156 K HN -0.059 nan 8.250 nan 0.000 0.480 157 T N 2.661 117.217 114.554 0.004 0.000 2.799 157 T HA 0.303 4.673 4.350 0.033 0.000 0.286 157 T C -0.339 174.355 174.700 -0.009 0.000 0.973 157 T CA -0.500 61.595 62.100 -0.008 0.000 1.035 157 T CB 0.546 69.412 68.868 -0.003 0.000 0.932 157 T HN 0.453 nan 8.240 nan 0.000 0.469 158 M N 3.969 123.544 119.600 -0.042 0.000 2.436 158 M HA 0.676 5.176 4.480 0.033 0.000 0.331 158 M C -1.676 174.623 176.300 -0.002 0.000 1.135 158 M CA -0.692 54.594 55.300 -0.022 0.000 0.987 158 M CB 1.200 33.743 32.600 -0.094 0.000 1.687 158 M HN 0.311 nan 8.290 nan 0.000 0.445 159 V N 4.684 124.656 119.914 0.096 0.000 2.555 159 V HA 0.576 4.716 4.120 0.033 0.000 0.302 159 V C -0.786 175.489 176.094 0.302 0.000 1.038 159 V CA -0.730 61.660 62.300 0.150 0.000 0.887 159 V CB 1.981 33.850 31.823 0.077 0.000 0.991 159 V HN 0.716 nan 8.190 nan 0.000 0.434 160 V N 3.917 124.000 119.914 0.281 0.000 2.409 160 V HA 0.495 4.635 4.120 0.033 0.000 0.291 160 V C 0.316 176.606 176.094 0.325 0.000 1.020 160 V CA -0.417 62.078 62.300 0.325 0.000 0.848 160 V CB 2.009 33.991 31.823 0.266 0.000 0.990 160 V HN 1.030 nan 8.190 nan 0.000 0.430 161 S N 2.894 118.799 115.700 0.342 0.000 2.669 161 S HA 0.627 5.117 4.470 0.033 0.000 0.270 161 S C 1.087 175.771 174.600 0.140 0.000 1.225 161 S CA 0.108 58.440 58.200 0.220 0.000 0.991 161 S CB 1.311 64.642 63.200 0.218 0.000 0.987 161 S HN 2.184 nan 8.310 nan 0.000 0.552 162 G N -0.034 108.807 108.800 0.067 0.000 2.390 162 G HA2 -0.112 3.868 3.960 0.033 0.000 0.299 162 G HA3 -0.112 3.868 3.960 0.033 0.000 0.299 162 G C 0.759 175.694 174.900 0.059 0.000 1.002 162 G CA 0.297 45.429 45.100 0.054 0.000 0.979 162 G HN 1.542 nan 8.290 nan 0.000 0.513 163 A N -1.061 121.786 122.820 0.045 0.000 2.206 163 A HA 0.561 4.901 4.320 0.033 0.000 0.211 163 A C 2.207 179.721 177.584 -0.115 0.000 1.158 163 A CA 1.743 53.786 52.037 0.010 0.000 0.761 163 A CB 0.060 19.063 19.000 0.005 0.000 0.801 163 A HN 1.802 nan 8.150 nan 0.000 0.473 164 A N -0.928 121.836 122.820 -0.094 0.000 2.538 164 A HA 0.569 4.909 4.320 0.033 0.000 0.269 164 A C 1.128 178.677 177.584 -0.058 0.000 1.231 164 A CA 0.479 52.447 52.037 -0.116 0.000 0.948 164 A CB -0.386 18.535 19.000 -0.132 0.000 1.110 164 A HN 0.576 nan 8.150 nan 0.000 0.529 165 G N -1.588 107.199 108.800 -0.023 0.000 2.510 165 G HA2 0.463 4.443 3.960 0.033 0.000 0.280 165 G HA3 0.463 4.443 3.960 0.033 0.000 0.280 165 G C 1.186 176.080 174.900 -0.010 0.000 1.386 165 G CA 0.208 45.305 45.100 -0.005 0.000 1.047 165 G HN 0.499 nan 8.290 nan 0.000 0.527 166 A N -1.078 121.748 122.820 0.009 0.000 1.828 166 A HA -0.109 4.231 4.320 0.033 0.000 0.215 166 A C 2.587 180.169 177.584 -0.003 0.000 1.203 166 A CA 2.260 54.298 52.037 0.002 0.000 0.614 166 A CB -1.220 17.802 19.000 0.036 0.000 0.844 166 A HN 0.647 nan 8.150 nan 0.000 0.445 167 C N -0.904 118.422 119.300 0.044 0.000 2.398 167 C HA -0.038 4.441 4.460 0.033 0.000 0.276 167 C C 3.001 177.930 174.990 -0.103 0.000 1.222 167 C CA 0.779 59.815 59.018 0.029 0.000 1.746 167 C CB -1.792 26.067 27.740 0.198 0.000 2.039 167 C HN 0.743 nan 8.230 nan 0.000 0.470 168 G N 0.728 109.511 108.800 -0.028 0.000 2.408 168 G HA2 -0.180 3.800 3.960 0.033 0.000 0.217 168 G HA3 -0.180 3.800 3.960 0.033 0.000 0.217 168 G C 1.756 176.641 174.900 -0.025 0.000 1.150 168 G CA 1.308 46.375 45.100 -0.054 0.000 0.776 168 G HN 0.659 nan 8.290 nan 0.000 0.542 169 S N 0.287 115.975 115.700 -0.021 0.000 2.399 169 S HA -0.073 4.417 4.470 0.033 0.000 0.231 169 S C 2.232 176.828 174.600 -0.007 0.000 1.022 169 S CA 1.354 59.564 58.200 0.017 0.000 0.983 169 S CB -0.349 62.822 63.200 -0.047 0.000 0.803 169 S HN 0.098 nan 8.310 nan 0.000 0.480 170 V N 2.338 122.192 119.914 -0.100 0.000 2.407 170 V HA 0.025 4.165 4.120 0.033 0.000 0.245 170 V C 3.122 179.047 176.094 -0.282 0.000 1.041 170 V CA 1.329 63.539 62.300 -0.150 0.000 1.040 170 V CB -1.413 30.345 31.823 -0.108 0.000 0.671 170 V HN 0.634 nan 8.190 nan 0.000 0.455 171 A N 0.777 123.347 122.820 -0.417 0.000 1.908 171 A HA -0.155 4.185 4.320 0.033 0.000 0.218 171 A C 2.366 179.617 177.584 -0.555 0.000 1.181 171 A CA 2.130 53.769 52.037 -0.662 0.000 0.627 171 A CB -1.192 16.980 19.000 -1.380 0.000 0.818 171 A HN 0.541 nan 8.150 nan 0.000 0.445 172 G N -1.310 107.202 108.800 -0.480 0.000 2.448 172 G HA2 -0.086 3.894 3.960 0.033 0.000 0.218 172 G HA3 -0.086 3.894 3.960 0.033 0.000 0.218 172 G C 1.566 175.902 174.900 -0.940 0.000 1.135 172 G CA 0.847 45.462 45.100 -0.809 0.000 0.784 172 G HN 0.666 nan 8.290 nan 0.000 0.543 173 Q N -0.255 119.116 119.800 -0.715 0.000 2.096 173 Q HA 0.151 4.511 4.340 0.033 0.000 0.197 173 Q C 2.510 177.595 176.000 -1.525 0.000 0.964 173 Q CA 0.524 55.747 55.803 -0.966 0.000 0.838 173 Q CB -0.097 28.199 28.738 -0.738 0.000 0.906 173 Q HN 0.466 nan 8.270 nan 0.000 0.444 174 I N 1.011 120.948 120.570 -1.054 0.000 2.264 174 I HA -0.234 3.956 4.170 0.033 0.000 0.248 174 I C 2.318 178.106 176.117 -0.547 0.000 1.111 174 I CA 1.166 62.003 61.300 -0.772 0.000 1.382 174 I CB -0.724 37.103 38.000 -0.287 0.000 1.060 174 I HN 0.304 nan 8.210 nan 0.000 0.418 175 G N -0.022 108.457 108.800 -0.536 0.000 2.476 175 G HA2 -0.289 3.691 3.960 0.033 0.000 0.218 175 G HA3 -0.289 3.691 3.960 0.033 0.000 0.218 175 G C 1.397 176.095 174.900 -0.336 0.000 1.164 175 G CA 1.105 45.962 45.100 -0.406 0.000 0.768 175 G HN 0.440 nan 8.290 nan 0.000 0.560 176 H N -0.735 118.068 119.070 -0.445 0.000 2.293 176 H HA -0.037 4.539 4.556 0.033 0.000 0.300 176 H C 2.560 177.812 175.328 -0.127 0.000 1.082 176 H CA 1.151 57.024 56.048 -0.292 0.000 1.308 176 H CB -0.134 29.440 29.762 -0.314 0.000 1.375 176 H HN 0.290 nan 8.280 nan 0.000 0.495 177 F N 0.493 120.325 119.950 -0.196 0.000 2.147 177 F HA -0.203 4.344 4.527 0.033 0.000 0.301 177 F C 1.949 177.673 175.800 -0.127 0.000 1.084 177 F CA 1.140 58.961 58.000 -0.299 0.000 1.268 177 F CB -0.806 37.740 39.000 -0.758 0.000 1.009 177 F HN 0.173 nan 8.300 nan 0.000 0.486 178 L N -1.004 120.267 121.223 0.080 0.000 2.653 178 L HA 0.304 4.664 4.340 0.033 0.000 0.231 178 L C 1.337 178.234 176.870 0.045 0.000 1.153 178 L CA 0.568 55.456 54.840 0.081 0.000 0.933 178 L CB -0.565 41.530 42.059 0.060 0.000 1.175 178 L HN 0.379 nan 8.230 nan 0.000 0.473 179 G N -0.337 108.488 108.800 0.042 0.000 2.140 179 G HA2 -0.218 3.761 3.960 0.033 0.000 0.211 179 G HA3 -0.218 3.761 3.960 0.033 0.000 0.211 179 G C 0.135 175.051 174.900 0.027 0.000 1.013 179 G CA -0.361 44.762 45.100 0.038 0.000 0.705 179 G HN 0.290 nan 8.290 nan 0.000 0.508 180 C N 1.000 120.309 119.300 0.015 0.000 2.605 180 C HA 0.553 5.033 4.460 0.033 0.000 0.404 180 C C 2.195 177.227 174.990 0.069 0.000 1.284 180 C CA 0.459 59.482 59.018 0.007 0.000 2.199 180 C CB 1.192 28.886 27.740 -0.076 0.000 2.647 180 C HN 0.950 nan 8.230 nan 0.000 0.604 181 S N 1.013 116.741 115.700 0.047 0.000 2.524 181 S HA 0.124 4.614 4.470 0.033 0.000 0.216 181 S C 0.431 175.081 174.600 0.083 0.000 0.987 181 S CA 0.058 58.291 58.200 0.055 0.000 0.909 181 S CB 0.097 63.312 63.200 0.025 0.000 0.781 181 S HN 0.806 nan 8.310 nan 0.000 0.521 182 R N 0.316 120.854 120.500 0.063 0.000 2.508 182 R HA 0.560 4.920 4.340 0.033 0.000 0.283 182 R C -2.344 173.910 176.300 -0.078 0.000 1.120 182 R CA -0.300 55.830 56.100 0.049 0.000 0.958 182 R CB 1.918 32.233 30.300 0.026 0.000 1.215 182 R HN 0.132 nan 8.270 nan 0.000 0.427 183 V N 4.797 124.611 119.914 -0.166 0.000 2.487 183 V HA 0.559 4.699 4.120 0.033 0.000 0.298 183 V C -0.659 175.352 176.094 -0.139 0.000 1.028 183 V CA -0.732 61.350 62.300 -0.362 0.000 0.860 183 V CB 1.933 33.191 31.823 -0.943 0.000 0.991 183 V HN 0.485 nan 8.190 nan 0.000 0.427 184 V N 3.272 123.179 119.914 -0.012 0.000 2.656 184 V HA 0.834 4.974 4.120 0.033 0.000 0.307 184 V C 0.475 176.734 176.094 0.275 0.000 1.051 184 V CA -0.339 62.050 62.300 0.148 0.000 0.893 184 V CB 2.164 34.033 31.823 0.076 0.000 0.999 184 V HN 0.960 nan 8.190 nan 0.000 0.426 185 G N 4.062 113.069 108.800 0.346 0.000 2.416 185 G HA2 0.775 4.755 3.960 0.033 0.000 0.329 185 G HA3 0.775 4.755 3.960 0.033 0.000 0.329 185 G C -1.078 173.886 174.900 0.106 0.000 1.173 185 G CA -0.534 44.718 45.100 0.253 0.000 0.929 185 G HN 0.604 nan 8.290 nan 0.000 0.475 186 I N 1.378 122.016 120.570 0.113 0.000 2.418 186 I HA 0.420 4.610 4.170 0.033 0.000 0.287 186 I C 0.162 176.356 176.117 0.128 0.000 1.008 186 I CA -0.667 60.703 61.300 0.116 0.000 1.104 186 I CB 1.595 39.668 38.000 0.122 0.000 1.264 186 I HN 0.683 nan 8.210 nan 0.000 0.438 187 C N 1.659 121.050 119.300 0.152 0.000 3.318 187 C HA 0.818 5.298 4.460 0.033 0.000 0.329 187 C C 1.062 176.147 174.990 0.159 0.000 1.449 187 C CA -0.529 58.583 59.018 0.156 0.000 1.397 187 C CB 1.114 28.851 27.740 -0.006 0.000 1.810 187 C HN 0.889 nan 8.230 nan 0.000 0.449 188 G N -0.122 108.702 108.800 0.041 0.000 3.233 188 G HA2 0.481 4.461 3.960 0.033 0.000 0.234 188 G HA3 0.481 4.461 3.960 0.033 0.000 0.234 188 G C 0.236 174.928 174.900 -0.345 0.000 1.137 188 G CA 0.837 45.716 45.100 -0.369 0.000 0.763 188 G HN 1.301 nan 8.290 nan 0.000 0.549 189 T N -4.797 109.613 114.554 -0.240 0.000 2.883 189 T HA 0.370 4.740 4.350 0.033 0.000 0.301 189 T C 0.529 175.097 174.700 -0.220 0.000 1.158 189 T CA -0.687 61.259 62.100 -0.258 0.000 1.007 189 T CB 1.821 70.600 68.868 -0.148 0.000 1.186 189 T HN -0.000 nan 8.240 nan 0.000 0.499 190 H N 0.708 119.731 119.070 -0.078 0.000 2.357 190 H HA -0.008 4.568 4.556 0.033 0.000 0.301 190 H C 2.020 177.313 175.328 -0.059 0.000 1.082 190 H CA 2.039 58.049 56.048 -0.063 0.000 1.342 190 H CB 0.019 29.749 29.762 -0.053 0.000 1.389 190 H HN 0.923 nan 8.280 nan 0.000 0.511 191 E N 1.465 121.698 120.200 0.055 0.000 2.118 191 E HA -0.187 4.183 4.350 0.033 0.000 0.195 191 E C 1.817 178.401 176.600 -0.027 0.000 0.992 191 E CA 1.148 57.553 56.400 0.008 0.000 0.804 191 E CB 0.123 29.820 29.700 -0.005 0.000 0.741 191 E HN 0.360 nan 8.360 nan 0.000 0.458 192 K N -0.216 120.154 120.400 -0.051 0.000 2.097 192 K HA -0.087 4.253 4.320 0.033 0.000 0.205 192 K C 2.275 178.813 176.600 -0.104 0.000 1.050 192 K CA 1.293 57.531 56.287 -0.083 0.000 0.938 192 K CB -0.100 32.347 32.500 -0.088 0.000 0.718 192 K HN 0.251 nan 8.250 nan 0.000 0.442 193 C N 0.987 120.245 119.300 -0.070 0.000 2.413 193 C HA -0.094 4.386 4.460 0.033 0.000 0.277 193 C C 2.441 177.393 174.990 -0.064 0.000 1.265 193 C CA 0.441 59.418 59.018 -0.067 0.000 1.752 193 C CB -0.786 26.954 27.740 0.000 0.000 1.998 193 C HN 0.416 nan 8.230 nan 0.000 0.489 194 I N 0.496 121.044 120.570 -0.038 0.000 2.202 194 I HA -0.175 4.015 4.170 0.033 0.000 0.242 194 I C 2.581 178.670 176.117 -0.047 0.000 1.091 194 I CA 1.241 62.523 61.300 -0.030 0.000 1.368 194 I CB -0.769 37.221 38.000 -0.016 0.000 1.058 194 I HN 0.294 nan 8.210 nan 0.000 0.410 195 L N 1.387 122.570 121.223 -0.066 0.000 2.021 195 L HA -0.243 4.117 4.340 0.033 0.000 0.215 195 L C 2.342 179.148 176.870 -0.106 0.000 1.074 195 L CA 2.013 56.806 54.840 -0.078 0.000 0.760 195 L CB -0.611 41.391 42.059 -0.095 0.000 0.889 195 L HN 0.131 nan 8.230 nan 0.000 0.433 196 L N -0.975 120.127 121.223 -0.201 0.000 2.027 196 L HA -0.173 4.187 4.340 0.033 0.000 0.206 196 L C 2.535 179.371 176.870 -0.056 0.000 1.074 196 L CA 1.867 56.494 54.840 -0.355 0.000 0.745 196 L CB -1.250 40.363 42.059 -0.743 0.000 0.898 196 L HN 0.541 nan 8.230 nan 0.000 0.433 197 T N -4.176 110.367 114.554 -0.019 0.000 2.978 197 T HA -0.078 4.292 4.350 0.033 0.000 0.262 197 T C 1.907 176.640 174.700 0.054 0.000 1.063 197 T CA 0.979 63.116 62.100 0.063 0.000 1.140 197 T CB -0.161 68.731 68.868 0.041 0.000 0.886 197 T HN 0.392 nan 8.240 nan 0.000 0.470 198 S N 0.650 116.364 115.700 0.023 0.000 2.483 198 S HA 0.207 4.697 4.470 0.033 0.000 0.221 198 S C 1.763 176.377 174.600 0.023 0.000 1.030 198 S CA -0.119 58.092 58.200 0.019 0.000 0.925 198 S CB 0.005 63.208 63.200 0.004 0.000 0.795 198 S HN 0.608 nan 8.310 nan 0.000 0.511 199 E N 0.802 121.015 120.200 0.023 0.000 2.288 199 E HA 0.317 4.687 4.350 0.033 0.000 0.200 199 E C 1.347 177.980 176.600 0.056 0.000 0.880 199 E CA 0.202 56.618 56.400 0.026 0.000 0.971 199 E CB 0.077 29.779 29.700 0.005 0.000 0.954 199 E HN 0.366 nan 8.360 nan 0.000 0.489 200 L N 0.610 121.883 121.223 0.083 0.000 2.591 200 L HA 0.247 4.607 4.340 0.033 0.000 0.228 200 L C 1.067 178.091 176.870 0.256 0.000 1.133 200 L CA 0.312 55.251 54.840 0.166 0.000 0.880 200 L CB -0.143 42.041 42.059 0.209 0.000 1.033 200 L HN 0.294 nan 8.230 nan 0.000 0.450 201 G N 0.692 109.615 108.800 0.204 0.000 2.258 201 G HA2 -0.326 3.653 3.960 0.033 0.000 0.274 201 G HA3 -0.326 3.653 3.960 0.033 0.000 0.274 201 G C 0.187 175.264 174.900 0.295 0.000 1.021 201 G CA -0.101 45.111 45.100 0.187 0.000 0.798 201 G HN 0.290 nan 8.290 nan 0.000 0.507 202 F N 0.380 120.356 119.950 0.043 0.000 2.572 202 F HA 0.132 4.678 4.527 0.032 0.000 0.370 202 F C 1.750 177.593 175.800 0.072 0.000 1.103 202 F CA -0.016 58.001 58.000 0.029 0.000 1.286 202 F CB 0.572 39.554 39.000 -0.030 0.000 1.105 202 F HN 0.064 nan 8.300 nan 0.000 0.583 203 D N 2.017 122.550 120.400 0.223 0.000 2.219 203 D HA 0.017 4.677 4.640 0.033 0.000 0.205 203 D C 0.405 176.782 176.300 0.128 0.000 0.970 203 D CA 0.980 55.070 54.000 0.151 0.000 0.851 203 D CB 0.242 41.113 40.800 0.118 0.000 0.943 203 D HN 0.444 nan 8.370 nan 0.000 0.488 204 A N -0.317 122.599 122.820 0.161 0.000 2.604 204 A HA 0.672 5.012 4.320 0.033 0.000 0.295 204 A C -1.620 176.040 177.584 0.127 0.000 1.067 204 A CA -0.341 51.765 52.037 0.116 0.000 0.683 204 A CB 1.942 20.989 19.000 0.078 0.000 1.281 204 A HN 0.034 nan 8.150 nan 0.000 0.407 205 A N 1.336 124.196 122.820 0.068 0.000 2.374 205 A HA 0.796 5.136 4.320 0.033 0.000 0.305 205 A C -0.933 176.672 177.584 0.034 0.000 1.053 205 A CA -0.322 51.733 52.037 0.030 0.000 0.726 205 A CB 0.649 19.633 19.000 -0.028 0.000 1.229 205 A HN 0.827 nan 8.150 nan 0.000 0.431 206 I N 1.885 122.479 120.570 0.040 0.000 2.569 206 I HA 0.334 4.524 4.170 0.033 0.000 0.296 206 I C -0.429 175.714 176.117 0.043 0.000 1.028 206 I CA -0.934 60.395 61.300 0.047 0.000 1.082 206 I CB 2.221 40.255 38.000 0.057 0.000 1.264 206 I HN 0.654 nan 8.210 nan 0.000 0.429 207 N N 4.445 123.154 118.700 0.014 0.000 2.439 207 N HA 0.102 4.862 4.740 0.033 0.000 0.249 207 N C 0.211 175.683 175.510 -0.063 0.000 1.003 207 N CA -0.410 52.594 53.050 -0.077 0.000 0.942 207 N CB 0.705 39.076 38.487 -0.193 0.000 1.115 207 N HN 0.563 nan 8.380 nan 0.000 0.505 208 Y N 2.636 122.907 120.300 -0.048 0.000 2.561 208 Y HA 0.270 4.839 4.550 0.033 0.000 0.291 208 Y C 1.306 177.183 175.900 -0.038 0.000 1.141 208 Y CA 0.635 58.716 58.100 -0.032 0.000 1.303 208 Y CB 0.113 38.560 38.460 -0.020 0.000 1.015 208 Y HN 0.363 nan 8.280 nan 0.000 0.547 209 K N 0.076 120.174 120.400 -0.503 0.000 2.211 209 K HA 0.053 4.393 4.320 0.033 0.000 0.201 209 K C 1.255 177.749 176.600 -0.176 0.000 1.052 209 K CA 0.788 56.858 56.287 -0.362 0.000 0.973 209 K CB 0.197 32.402 32.500 -0.491 0.000 0.766 209 K HN 0.042 nan 8.250 nan 0.000 0.466 210 K N -0.082 120.219 120.400 -0.164 0.000 2.438 210 K HA 0.129 4.469 4.320 0.033 0.000 0.206 210 K C -0.927 175.669 176.600 -0.007 0.000 1.081 210 K CA 0.178 56.421 56.287 -0.073 0.000 1.053 210 K CB 0.921 33.372 32.500 -0.081 0.000 0.908 210 K HN -0.016 nan 8.250 nan 0.000 0.556 211 D N -0.629 119.766 120.400 -0.009 0.000 2.392 211 D HA 0.222 4.882 4.640 0.033 0.000 0.246 211 D C -0.420 175.894 176.300 0.024 0.000 1.013 211 D CA -0.397 53.616 54.000 0.022 0.000 0.993 211 D CB 0.866 41.686 40.800 0.033 0.000 1.219 211 D HN 0.100 nan 8.370 nan 0.000 0.538 212 N N 0.250 118.964 118.700 0.024 0.000 2.469 212 N HA 0.310 5.070 4.740 0.033 0.000 0.239 212 N C 1.167 176.691 175.510 0.023 0.000 1.053 212 N CA -0.539 52.524 53.050 0.022 0.000 0.937 212 N CB 0.286 38.782 38.487 0.014 0.000 1.163 212 N HN 0.236 nan 8.380 nan 0.000 0.509 213 V N 0.948 120.880 119.914 0.031 0.000 2.343 213 V HA -0.242 3.898 4.120 0.033 0.000 0.247 213 V C 2.950 179.048 176.094 0.007 0.000 1.051 213 V CA 2.477 64.794 62.300 0.028 0.000 1.036 213 V CB -0.756 31.090 31.823 0.038 0.000 0.654 213 V HN 0.901 nan 8.190 nan 0.000 0.451 214 A N 0.084 122.903 122.820 -0.001 0.000 1.877 214 A HA -0.213 4.127 4.320 0.033 0.000 0.216 214 A C 2.371 179.950 177.584 -0.008 0.000 1.186 214 A CA 2.402 54.432 52.037 -0.012 0.000 0.620 214 A CB -0.925 18.067 19.000 -0.013 0.000 0.822 214 A HN 0.605 nan 8.150 nan 0.000 0.443 215 E N -0.561 119.639 120.200 -0.001 0.000 2.085 215 E HA -0.261 4.109 4.350 0.033 0.000 0.194 215 E C 2.004 178.605 176.600 0.002 0.000 0.994 215 E CA 1.590 57.990 56.400 0.000 0.000 0.801 215 E CB -0.756 28.946 29.700 0.003 0.000 0.743 215 E HN 0.722 nan 8.360 nan 0.000 0.453 216 Q N -0.601 119.203 119.800 0.007 0.000 2.119 216 Q HA 0.035 4.395 4.340 0.033 0.000 0.201 216 Q C 2.546 178.550 176.000 0.008 0.000 0.972 216 Q CA 1.083 56.893 55.803 0.012 0.000 0.847 216 Q CB -0.061 28.690 28.738 0.021 0.000 0.903 216 Q HN 0.580 nan 8.270 nan 0.000 0.433 217 L N 0.043 121.266 121.223 -0.001 0.000 2.093 217 L HA -0.149 4.211 4.340 0.033 0.000 0.208 217 L C 2.618 179.481 176.870 -0.011 0.000 1.085 217 L CA 0.873 55.707 54.840 -0.010 0.000 0.755 217 L CB -0.275 41.765 42.059 -0.032 0.000 0.904 217 L HN 0.156 nan 8.230 nan 0.000 0.435 218 R N -0.349 120.145 120.500 -0.011 0.000 2.096 218 R HA -0.183 4.177 4.340 0.033 0.000 0.240 218 R C 2.349 178.646 176.300 -0.004 0.000 1.139 218 R CA 1.927 58.022 56.100 -0.009 0.000 0.952 218 R CB -0.368 29.927 30.300 -0.009 0.000 0.854 218 R HN 0.271 nan 8.270 nan 0.000 0.436 219 E N -0.127 120.073 120.200 0.001 0.000 2.106 219 E HA -0.064 4.306 4.350 0.033 0.000 0.192 219 E C 2.067 178.671 176.600 0.007 0.000 0.984 219 E CA 1.294 57.697 56.400 0.004 0.000 0.806 219 E CB -0.073 29.631 29.700 0.006 0.000 0.750 219 E HN 0.426 nan 8.360 nan 0.000 0.458 220 S N -0.993 114.712 115.700 0.009 0.000 2.478 220 S HA 0.017 4.507 4.470 0.033 0.000 0.222 220 S C 1.127 175.734 174.600 0.012 0.000 1.008 220 S CA 0.403 58.612 58.200 0.016 0.000 0.928 220 S CB 0.264 63.479 63.200 0.025 0.000 0.781 220 S HN 0.431 nan 8.310 nan 0.000 0.518 221 C N 3.195 122.497 119.300 0.003 0.000 2.987 221 C HA 0.338 4.818 4.460 0.033 0.000 0.262 221 C C -1.280 173.707 174.990 -0.005 0.000 1.531 221 C CA -1.573 57.444 59.018 -0.002 0.000 1.571 221 C CB -0.080 27.653 27.740 -0.011 0.000 2.381 221 C HN 0.416 nan 8.230 nan 0.000 0.519 222 P HA -0.132 nan 4.420 nan 0.000 0.220 222 P C 1.063 178.360 177.300 -0.004 0.000 1.144 222 P CA 1.619 64.718 63.100 -0.002 0.000 0.800 222 P CB 0.327 32.028 31.700 0.000 0.000 0.772 223 A N -0.840 121.978 122.820 -0.003 0.000 2.423 223 A HA 0.549 4.889 4.320 0.033 0.000 0.246 223 A C 0.991 178.571 177.584 -0.006 0.000 1.278 223 A CA 0.325 52.361 52.037 -0.003 0.000 0.903 223 A CB -0.686 18.314 19.000 0.000 0.000 0.997 223 A HN 0.365 nan 8.150 nan 0.000 0.510 224 G N -1.362 107.432 108.800 -0.010 0.000 2.814 224 G HA2 0.004 3.984 3.960 0.033 0.000 0.677 224 G HA3 0.004 3.984 3.960 0.033 0.000 0.677 224 G C -0.532 174.360 174.900 -0.014 0.000 1.429 224 G CA -0.430 44.660 45.100 -0.016 0.000 0.868 224 G HN 0.929 nan 8.290 nan 0.000 0.553 225 V N 1.368 121.270 119.914 -0.021 0.000 2.370 225 V HA 0.408 4.548 4.120 0.033 0.000 0.279 225 V C 0.547 176.645 176.094 0.007 0.000 1.029 225 V CA 0.040 62.332 62.300 -0.013 0.000 0.870 225 V CB 1.645 33.443 31.823 -0.042 0.000 0.984 225 V HN 0.797 nan 8.190 nan 0.000 0.451 226 D N 2.511 122.927 120.400 0.027 0.000 2.324 226 D HA 0.095 4.755 4.640 0.033 0.000 0.212 226 D C 0.209 176.563 176.300 0.090 0.000 0.984 226 D CA 1.016 55.045 54.000 0.048 0.000 0.885 226 D CB 1.305 42.135 40.800 0.048 0.000 0.996 226 D HN 0.407 nan 8.370 nan 0.000 0.505 227 V N 1.377 121.348 119.914 0.095 0.000 2.531 227 V HA 0.240 4.380 4.120 0.033 0.000 0.301 227 V C -1.166 175.050 176.094 0.203 0.000 1.034 227 V CA -1.025 61.359 62.300 0.139 0.000 0.865 227 V CB 2.029 33.913 31.823 0.101 0.000 0.995 227 V HN -0.009 nan 8.190 nan 0.000 0.424 228 Y N 5.249 125.577 120.300 0.046 0.000 2.388 228 Y HA 0.549 5.119 4.550 0.033 0.000 0.328 228 Y C -0.906 175.022 175.900 0.048 0.000 0.963 228 Y CA -2.462 55.664 58.100 0.042 0.000 1.240 228 Y CB 1.340 39.806 38.460 0.010 0.000 1.118 228 Y HN 0.638 nan 8.280 nan 0.000 0.484 229 F N 6.400 126.321 119.950 -0.050 0.000 2.439 229 F HA 0.244 4.791 4.527 0.034 0.000 0.356 229 F C -0.199 175.330 175.800 -0.453 0.000 1.161 229 F CA -0.173 57.701 58.000 -0.209 0.000 1.151 229 F CB 0.176 39.116 39.000 -0.100 0.000 1.222 229 F HN 0.477 nan 8.300 nan 0.000 0.558 230 D N 4.792 124.659 120.400 -0.888 0.000 2.392 230 D HA 0.202 4.862 4.640 0.033 0.000 0.228 230 D C 0.098 176.164 176.300 -0.390 0.000 1.074 230 D CA -0.193 53.306 54.000 -0.835 0.000 0.838 230 D CB 0.639 40.818 40.800 -1.036 0.000 1.067 230 D HN 0.463 nan 8.370 nan 0.000 0.511 231 N N 2.489 121.107 118.700 -0.137 0.000 2.220 231 N HA 0.014 4.774 4.740 0.033 0.000 0.195 231 N C 1.314 176.782 175.510 -0.070 0.000 1.123 231 N CA 0.447 53.483 53.050 -0.024 0.000 0.874 231 N CB 1.339 39.882 38.487 0.094 0.000 0.995 231 N HN 0.455 nan 8.380 nan 0.000 0.498 232 V N -3.719 116.139 119.914 -0.094 0.000 3.137 232 V HA 0.517 4.657 4.120 0.033 0.000 0.236 232 V C 1.104 177.135 176.094 -0.106 0.000 1.260 232 V CA 0.835 63.056 62.300 -0.130 0.000 1.244 232 V CB -0.004 31.725 31.823 -0.156 0.000 1.016 232 V HN 0.194 nan 8.190 nan 0.000 0.477 233 G N 0.322 109.094 108.800 -0.045 0.000 2.598 233 G HA2 0.251 4.231 3.960 0.033 0.000 0.244 233 G HA3 0.251 4.231 3.960 0.033 0.000 0.244 233 G C 1.134 176.023 174.900 -0.017 0.000 1.302 233 G CA 0.358 45.451 45.100 -0.011 0.000 0.903 233 G HN 2.340 nan 8.290 nan 0.000 0.575 234 G N -0.730 108.065 108.800 -0.008 0.000 2.594 234 G HA2 -0.282 3.698 3.960 0.033 0.000 0.297 234 G HA3 -0.282 3.698 3.960 0.033 0.000 0.297 234 G C 1.078 175.973 174.900 -0.010 0.000 1.273 234 G CA 1.134 46.228 45.100 -0.011 0.000 0.974 234 G HN 1.683 nan 8.290 nan 0.000 0.552 235 N N 0.027 118.716 118.700 -0.018 0.000 2.244 235 N HA -0.015 4.745 4.740 0.033 0.000 0.183 235 N C 2.461 177.958 175.510 -0.022 0.000 1.016 235 N CA 1.487 54.530 53.050 -0.013 0.000 0.866 235 N CB -0.191 38.294 38.487 -0.003 0.000 0.980 235 N HN 0.549 nan 8.380 nan 0.000 0.430 236 I N 0.641 121.184 120.570 -0.045 0.000 2.202 236 I HA -0.205 3.985 4.170 0.033 0.000 0.242 236 I C 2.074 178.177 176.117 -0.022 0.000 1.091 236 I CA 0.823 62.093 61.300 -0.049 0.000 1.368 236 I CB -0.181 37.751 38.000 -0.112 0.000 1.058 236 I HN -0.004 nan 8.210 nan 0.000 0.410 237 S N 0.345 116.074 115.700 0.048 0.000 2.400 237 S HA -0.195 4.295 4.470 0.033 0.000 0.232 237 S C 1.552 176.157 174.600 0.009 0.000 1.025 237 S CA 1.336 59.617 58.200 0.135 0.000 0.993 237 S CB -0.331 63.006 63.200 0.228 0.000 0.808 237 S HN 0.426 nan 8.310 nan 0.000 0.478 238 D N 1.132 121.529 120.400 -0.005 0.000 2.097 238 D HA -0.054 4.606 4.640 0.033 0.000 0.197 238 D C 2.121 178.391 176.300 -0.049 0.000 0.984 238 D CA 1.298 55.286 54.000 -0.020 0.000 0.826 238 D CB -0.801 39.992 40.800 -0.012 0.000 0.973 238 D HN 0.315 nan 8.370 nan 0.000 0.460 239 T N 0.693 115.212 114.554 -0.058 0.000 2.684 239 T HA -0.109 4.261 4.350 0.033 0.000 0.267 239 T C 2.264 176.887 174.700 -0.128 0.000 1.036 239 T CA 0.963 63.020 62.100 -0.073 0.000 1.148 239 T CB -0.434 68.400 68.868 -0.056 0.000 0.863 239 T HN -0.026 nan 8.240 nan 0.000 0.436 240 V N 1.243 121.023 119.914 -0.223 0.000 2.358 240 V HA -0.099 4.041 4.120 0.033 0.000 0.246 240 V C 2.384 178.305 176.094 -0.289 0.000 1.047 240 V CA 1.361 63.435 62.300 -0.376 0.000 1.035 240 V CB -0.614 30.666 31.823 -0.905 0.000 0.658 240 V HN 0.483 nan 8.190 nan 0.000 0.452 241 I N 0.033 120.480 120.570 -0.205 0.000 2.315 241 I HA -0.180 4.010 4.170 0.033 0.000 0.248 241 I C 2.401 178.474 176.117 -0.074 0.000 1.117 241 I CA 1.261 62.502 61.300 -0.098 0.000 1.404 241 I CB -0.408 37.576 38.000 -0.027 0.000 1.071 241 I HN 0.216 nan 8.210 nan 0.000 0.419 242 S N 0.089 115.746 115.700 -0.071 0.000 2.493 242 S HA -0.175 4.314 4.470 0.033 0.000 0.243 242 S C 1.479 176.047 174.600 -0.054 0.000 0.991 242 S CA 1.108 59.277 58.200 -0.052 0.000 0.957 242 S CB -0.232 62.941 63.200 -0.046 0.000 0.756 242 S HN 0.540 nan 8.310 nan 0.000 0.521 243 Q N -0.422 119.334 119.800 -0.072 0.000 2.139 243 Q HA 0.326 4.686 4.340 0.033 0.000 0.219 243 Q C -0.503 175.460 176.000 -0.060 0.000 0.805 243 Q CA -0.134 55.632 55.803 -0.063 0.000 1.024 243 Q CB 0.459 29.155 28.738 -0.069 0.000 1.163 243 Q HN 0.491 nan 8.270 nan 0.000 0.485 244 M N 1.196 120.759 119.600 -0.061 0.000 2.235 244 M HA 0.192 4.692 4.480 0.033 0.000 0.351 244 M C 0.093 176.371 176.300 -0.037 0.000 1.178 244 M CA -0.308 54.964 55.300 -0.046 0.000 1.143 244 M CB 0.625 33.200 32.600 -0.041 0.000 1.530 244 M HN 0.030 nan 8.290 nan 0.000 0.461 245 N N 1.335 120.018 118.700 -0.028 0.000 2.317 245 N HA 0.085 4.845 4.740 0.033 0.000 0.245 245 N C -0.550 174.937 175.510 -0.037 0.000 1.294 245 N CA -0.217 52.818 53.050 -0.026 0.000 0.924 245 N CB 0.339 38.818 38.487 -0.014 0.000 1.186 245 N HN 0.508 nan 8.380 nan 0.000 0.495 246 E N 0.720 120.899 120.200 -0.035 0.000 2.384 246 E HA 0.055 4.425 4.350 0.033 0.000 0.266 246 E C -0.223 176.340 176.600 -0.061 0.000 1.012 246 E CA 0.049 56.422 56.400 -0.045 0.000 0.901 246 E CB 0.031 29.712 29.700 -0.033 0.000 0.967 246 E HN 0.390 nan 8.360 nan 0.000 0.435 247 N N 1.010 119.650 118.700 -0.099 0.000 2.753 247 N HA -0.216 4.543 4.740 0.033 0.000 0.251 247 N C -0.534 174.839 175.510 -0.229 0.000 1.097 247 N CA 1.159 54.117 53.050 -0.153 0.000 0.786 247 N CB -2.160 36.278 38.487 -0.081 0.000 1.137 247 N HN 0.507 nan 8.380 nan 0.000 0.566 248 S N -0.020 115.573 115.700 -0.177 0.000 2.617 248 S HA 0.297 4.787 4.470 0.033 0.000 0.255 248 S C 0.074 174.479 174.600 -0.326 0.000 1.318 248 S CA -0.074 58.052 58.200 -0.123 0.000 0.978 248 S CB 1.314 64.492 63.200 -0.037 0.000 0.961 248 S HN 0.282 nan 8.310 nan 0.000 0.582 249 H N -0.529 118.552 119.070 0.018 0.000 2.689 249 H HA 0.437 5.013 4.556 0.034 0.000 0.346 249 H C -1.012 174.344 175.328 0.047 0.000 1.037 249 H CA -0.486 55.576 56.048 0.023 0.000 1.234 249 H CB 1.245 31.032 29.762 0.041 0.000 1.572 249 H HN 0.489 nan 8.280 nan 0.000 0.524 250 I N 4.620 125.260 120.570 0.116 0.000 2.315 250 I HA 0.165 4.355 4.170 0.033 0.000 0.291 250 I C 0.401 176.497 176.117 -0.035 0.000 1.006 250 I CA -0.420 60.911 61.300 0.051 0.000 1.265 250 I CB 0.926 38.951 38.000 0.043 0.000 1.387 250 I HN 0.325 nan 8.210 nan 0.000 0.475 251 I N 7.321 127.793 120.570 -0.164 0.000 2.308 251 I HA 0.070 4.260 4.170 0.033 0.000 0.293 251 I C -0.141 175.713 176.117 -0.438 0.000 1.078 251 I CA -0.366 60.744 61.300 -0.317 0.000 1.292 251 I CB 0.708 38.448 38.000 -0.433 0.000 1.423 251 I HN 0.395 nan 8.210 nan 0.000 0.493 252 L N 8.021 129.112 121.223 -0.220 0.000 2.375 252 L HA 0.173 4.533 4.340 0.033 0.000 0.276 252 L C 0.603 177.436 176.870 -0.061 0.000 1.162 252 L CA 0.519 55.269 54.840 -0.151 0.000 0.991 252 L CB 0.457 42.489 42.059 -0.044 0.000 1.315 252 L HN 0.828 nan 8.230 nan 0.000 0.431 253 C N 2.611 121.776 119.300 -0.226 0.000 2.793 253 C HA 0.639 5.119 4.460 0.033 0.000 0.285 253 C C 1.229 176.295 174.990 0.126 0.000 1.325 253 C CA 0.577 59.553 59.018 -0.071 0.000 1.694 253 C CB -0.504 27.023 27.740 -0.355 0.000 2.151 253 C HN 0.808 nan 8.230 nan 0.000 0.532 254 G N -0.825 108.030 108.800 0.091 0.000 2.680 254 G HA2 0.549 4.529 3.960 0.033 0.000 0.290 254 G HA3 0.549 4.529 3.960 0.033 0.000 0.290 254 G C -1.466 173.522 174.900 0.146 0.000 1.355 254 G CA -0.039 45.200 45.100 0.232 0.000 0.903 254 G HN 0.361 nan 8.290 nan 0.000 0.474 255 Q N 0.940 120.876 119.800 0.226 0.000 2.656 255 Q HA 0.229 4.589 4.340 0.033 0.000 0.389 255 Q C 1.150 176.881 176.000 -0.448 0.000 0.883 255 Q CA -0.432 55.394 55.803 0.037 0.000 1.056 255 Q CB 1.350 30.246 28.738 0.262 0.000 1.391 255 Q HN 0.645 nan 8.270 nan 0.000 0.399 256 I N 0.956 121.090 120.570 -0.727 0.000 2.335 256 I HA -0.323 3.867 4.170 0.033 0.000 0.251 256 I C 2.034 177.821 176.117 -0.550 0.000 1.129 256 I CA 1.640 62.274 61.300 -1.110 0.000 1.402 256 I CB 0.323 37.988 38.000 -0.558 0.000 1.069 256 I HN 0.284 nan 8.210 nan 0.000 0.424 257 S N -0.167 115.360 115.700 -0.288 0.000 2.469 257 S HA -0.181 4.309 4.470 0.033 0.000 0.238 257 S C 1.655 176.224 174.600 -0.052 0.000 0.998 257 S CA 0.702 58.820 58.200 -0.137 0.000 0.957 257 S CB -0.230 62.903 63.200 -0.112 0.000 0.764 257 S HN 0.516 nan 8.310 nan 0.000 0.514 258 Q N -0.487 119.296 119.800 -0.028 0.000 2.392 258 Q HA 0.202 4.562 4.340 0.033 0.000 0.203 258 Q C 0.856 177.026 176.000 0.283 0.000 0.917 258 Q CA 0.287 56.169 55.803 0.131 0.000 0.939 258 Q CB -0.387 28.463 28.738 0.188 0.000 1.063 258 Q HN 0.636 nan 8.270 nan 0.000 0.516 259 Y N 1.317 121.656 120.300 0.066 0.000 2.352 259 Y HA -0.039 4.530 4.550 0.033 0.000 0.292 259 Y C 1.315 177.250 175.900 0.059 0.000 1.136 259 Y CA 0.335 58.472 58.100 0.062 0.000 1.227 259 Y CB -0.184 38.309 38.460 0.054 0.000 0.991 259 Y HN 0.186 nan 8.280 nan 0.000 0.545 260 N N 0.684 119.507 118.700 0.205 0.000 2.313 260 N HA 0.029 4.789 4.740 0.033 0.000 0.207 260 N C -0.218 175.353 175.510 0.103 0.000 1.141 260 N CA 0.287 53.417 53.050 0.134 0.000 0.830 260 N CB 0.250 38.800 38.487 0.106 0.000 1.008 260 N HN 0.300 nan 8.380 nan 0.000 0.481 261 K N 0.076 120.544 120.400 0.113 0.000 2.267 261 K HA 0.195 4.535 4.320 0.033 0.000 0.246 261 K C -0.817 175.832 176.600 0.081 0.000 0.954 261 K CA -0.777 55.562 56.287 0.086 0.000 0.824 261 K CB 1.666 34.216 32.500 0.083 0.000 1.167 261 K HN -0.212 nan 8.250 nan 0.000 0.431 262 D N 2.805 123.241 120.400 0.060 0.000 2.517 262 D HA 0.307 4.967 4.640 0.033 0.000 0.220 262 D C -1.265 175.067 176.300 0.053 0.000 1.158 262 D CA 0.103 54.133 54.000 0.050 0.000 0.992 262 D CB -0.076 40.746 40.800 0.036 0.000 1.058 262 D HN 0.494 nan 8.370 nan 0.000 0.516 263 V N 2.163 122.118 119.914 0.069 0.000 3.048 263 V HA 0.536 4.676 4.120 0.033 0.000 0.303 263 V C -2.397 173.750 176.094 0.088 0.000 1.214 263 V CA -1.669 60.672 62.300 0.069 0.000 0.984 263 V CB 1.749 33.615 31.823 0.072 0.000 1.054 263 V HN 0.159 nan 8.190 nan 0.000 0.430 264 P HA 0.443 nan 4.420 nan 0.000 0.272 264 P C -1.488 175.891 177.300 0.132 0.000 1.230 264 P CA 0.070 63.221 63.100 0.084 0.000 0.788 264 P CB 0.288 32.016 31.700 0.048 0.000 0.949 265 Y N 1.759 122.073 120.300 0.023 0.000 2.364 265 Y HA 0.465 5.035 4.550 0.034 0.000 0.340 265 Y C -2.177 173.740 175.900 0.028 0.000 0.975 265 Y CA -2.225 55.897 58.100 0.036 0.000 1.089 265 Y CB 1.211 39.687 38.460 0.027 0.000 1.192 265 Y HN 0.339 nan 8.280 nan 0.000 0.454 266 P HA 0.357 nan 4.420 nan 0.000 0.281 266 P C -2.917 174.207 177.300 -0.294 0.000 1.249 266 P CA -1.621 60.952 63.100 -0.878 0.000 0.810 266 P CB 0.771 31.983 31.700 -0.813 0.000 1.008 267 P HA 0.281 nan 4.420 nan 0.000 0.274 267 P C -2.338 174.919 177.300 -0.071 0.000 1.231 267 P CA -1.291 61.773 63.100 -0.059 0.000 0.790 267 P CB -0.835 30.866 31.700 0.002 0.000 0.951 268 P HA 0.242 nan 4.420 nan 0.000 0.286 268 P C -0.284 177.003 177.300 -0.021 0.000 1.261 268 P CA -0.365 62.715 63.100 -0.033 0.000 0.821 268 P CB 0.731 32.419 31.700 -0.021 0.000 1.013 269 L N 1.211 122.422 121.223 -0.019 0.000 2.499 269 L HA 0.033 4.393 4.340 0.033 0.000 0.281 269 L C 1.476 178.342 176.870 -0.007 0.000 1.234 269 L CA -0.012 54.823 54.840 -0.010 0.000 0.839 269 L CB -0.287 41.767 42.059 -0.008 0.000 1.104 269 L HN 0.535 nan 8.230 nan 0.000 0.500 270 S N 1.244 116.942 115.700 -0.004 0.000 2.579 270 S HA 0.130 4.620 4.470 0.033 0.000 0.275 270 S C -1.722 172.875 174.600 -0.005 0.000 1.345 270 S CA -1.094 57.104 58.200 -0.003 0.000 1.031 270 S CB 0.961 64.160 63.200 -0.001 0.000 0.892 270 S HN 0.430 nan 8.310 nan 0.000 0.529 271 P HA -0.201 nan 4.420 nan 0.000 0.217 271 P C 1.590 178.886 177.300 -0.007 0.000 1.158 271 P CA 2.360 65.457 63.100 -0.005 0.000 0.887 271 P CB -0.260 31.438 31.700 -0.004 0.000 0.792 272 A N -0.929 121.888 122.820 -0.006 0.000 1.898 272 A HA -0.148 4.192 4.320 0.033 0.000 0.216 272 A C 2.093 179.671 177.584 -0.010 0.000 1.181 272 A CA 1.422 53.455 52.037 -0.008 0.000 0.620 272 A CB -1.314 17.682 19.000 -0.007 0.000 0.819 272 A HN 0.058 nan 8.150 nan 0.000 0.442 273 I N -0.173 120.391 120.570 -0.010 0.000 2.439 273 I HA -0.125 4.065 4.170 0.033 0.000 0.251 273 I C 2.297 178.407 176.117 -0.011 0.000 1.139 273 I CA 1.168 62.462 61.300 -0.011 0.000 1.438 273 I CB -1.357 36.639 38.000 -0.008 0.000 1.085 273 I HN 0.491 nan 8.210 nan 0.000 0.427 274 E N 1.244 121.438 120.200 -0.010 0.000 2.150 274 E HA -0.173 4.197 4.350 0.033 0.000 0.193 274 E C 2.267 178.859 176.600 -0.014 0.000 0.985 274 E CA 1.222 57.615 56.400 -0.012 0.000 0.814 274 E CB 0.265 29.958 29.700 -0.011 0.000 0.752 274 E HN 0.430 nan 8.360 nan 0.000 0.466 275 A N 1.152 123.964 122.820 -0.013 0.000 1.873 275 A HA -0.150 4.190 4.320 0.033 0.000 0.215 275 A C 2.138 179.712 177.584 -0.017 0.000 1.186 275 A CA 1.056 53.085 52.037 -0.014 0.000 0.616 275 A CB -0.578 18.415 19.000 -0.012 0.000 0.823 275 A HN 0.248 nan 8.150 nan 0.000 0.442 276 I N -0.520 120.039 120.570 -0.018 0.000 2.264 276 I HA -0.305 3.885 4.170 0.033 0.000 0.248 276 I C 2.825 178.926 176.117 -0.026 0.000 1.111 276 I CA 1.670 62.957 61.300 -0.022 0.000 1.382 276 I CB -0.320 37.667 38.000 -0.023 0.000 1.060 276 I HN 0.518 nan 8.210 nan 0.000 0.418 277 Q N 1.441 121.226 119.800 -0.024 0.000 2.050 277 Q HA -0.244 4.116 4.340 0.033 0.000 0.202 277 Q C 2.167 178.146 176.000 -0.035 0.000 0.980 277 Q CA 1.732 57.518 55.803 -0.029 0.000 0.840 277 Q CB 0.076 28.801 28.738 -0.022 0.000 0.898 277 Q HN 0.490 nan 8.270 nan 0.000 0.424 278 K N -0.031 120.352 120.400 -0.028 0.000 2.057 278 K HA -0.113 4.227 4.320 0.033 0.000 0.206 278 K C 1.951 178.534 176.600 -0.029 0.000 1.050 278 K CA 1.070 57.340 56.287 -0.027 0.000 0.935 278 K CB 0.036 32.524 32.500 -0.020 0.000 0.715 278 K HN 0.158 nan 8.250 nan 0.000 0.439 279 E N 0.776 120.960 120.200 -0.026 0.000 2.150 279 E HA -0.136 4.234 4.350 0.033 0.000 0.193 279 E C 1.437 178.019 176.600 -0.030 0.000 0.985 279 E CA 1.062 57.447 56.400 -0.025 0.000 0.814 279 E CB 0.045 29.732 29.700 -0.021 0.000 0.752 279 E HN 0.281 nan 8.360 nan 0.000 0.466 280 R N 0.719 121.196 120.500 -0.037 0.000 2.427 280 R HA 0.083 4.443 4.340 0.033 0.000 0.262 280 R C 0.112 176.376 176.300 -0.061 0.000 0.943 280 R CA -0.101 55.972 56.100 -0.045 0.000 1.081 280 R CB -0.214 30.059 30.300 -0.044 0.000 1.166 280 R HN 0.005 nan 8.270 nan 0.000 0.534 281 N N 1.563 120.226 118.700 -0.061 0.000 2.705 281 N HA -0.195 4.565 4.740 0.033 0.000 0.255 281 N C -1.008 174.424 175.510 -0.130 0.000 1.008 281 N CA 0.413 53.415 53.050 -0.080 0.000 0.742 281 N CB -1.006 37.438 38.487 -0.072 0.000 0.906 281 N HN 0.302 nan 8.380 nan 0.000 0.541 282 I N 0.515 121.013 120.570 -0.120 0.000 2.365 282 I HA 0.143 4.333 4.170 0.033 0.000 0.291 282 I C 0.755 176.777 176.117 -0.159 0.000 1.004 282 I CA -0.406 60.797 61.300 -0.161 0.000 1.311 282 I CB 1.300 39.244 38.000 -0.094 0.000 1.401 282 I HN 0.106 nan 8.210 nan 0.000 0.491 283 T N 6.617 121.019 114.554 -0.253 0.000 2.806 283 T HA 0.374 4.744 4.350 0.033 0.000 0.290 283 T C 0.039 174.734 174.700 -0.010 0.000 0.966 283 T CA -0.472 61.561 62.100 -0.111 0.000 1.060 283 T CB 0.747 69.584 68.868 -0.053 0.000 0.927 283 T HN 0.494 nan 8.240 nan 0.000 0.485 284 R N 2.691 123.199 120.500 0.014 0.000 2.721 284 R HA 0.240 4.600 4.340 0.033 0.000 0.272 284 R C -0.888 175.429 176.300 0.028 0.000 1.721 284 R CA -0.283 55.828 56.100 0.017 0.000 1.325 284 R CB 0.614 30.912 30.300 -0.003 0.000 1.271 284 R HN 0.668 nan 8.270 nan 0.000 0.556 285 E N 1.549 121.785 120.200 0.061 0.000 2.222 285 E HA 0.313 4.683 4.350 0.033 0.000 0.267 285 E C -0.752 175.906 176.600 0.097 0.000 0.963 285 E CA -1.096 55.351 56.400 0.080 0.000 0.837 285 E CB 2.078 31.849 29.700 0.118 0.000 1.183 285 E HN 0.210 nan 8.360 nan 0.000 0.403 286 R N 1.448 122.007 120.500 0.099 0.000 2.442 286 R HA 0.147 4.507 4.340 0.033 0.000 0.291 286 R C -1.254 175.188 176.300 0.236 0.000 1.069 286 R CA 0.049 56.224 56.100 0.124 0.000 1.022 286 R CB 0.290 30.641 30.300 0.085 0.000 0.976 286 R HN 0.355 nan 8.270 nan 0.000 0.443 287 F N 6.175 126.176 119.950 0.085 0.000 2.460 287 F HA 0.408 4.955 4.527 0.032 0.000 0.341 287 F C -1.612 174.281 175.800 0.155 0.000 1.130 287 F CA -0.953 57.121 58.000 0.122 0.000 0.962 287 F CB 0.880 39.904 39.000 0.041 0.000 1.171 287 F HN 0.316 nan 8.300 nan 0.000 0.436 288 L N 7.823 128.764 121.223 -0.471 0.000 2.342 288 L HA 0.360 4.720 4.340 0.033 0.000 0.276 288 L C 0.892 177.437 176.870 -0.542 0.000 0.997 288 L CA -0.554 54.022 54.840 -0.440 0.000 0.838 288 L CB 1.686 43.643 42.059 -0.170 0.000 1.224 288 L HN 0.616 nan 8.230 nan 0.000 0.416 289 V N 4.914 124.468 119.914 -0.599 0.000 2.392 289 V HA -0.242 3.898 4.120 0.033 0.000 0.249 289 V C 1.955 178.162 176.094 0.189 0.000 1.059 289 V CA 1.980 64.177 62.300 -0.172 0.000 1.051 289 V CB -0.125 31.680 31.823 -0.030 0.000 0.658 289 V HN 0.753 nan 8.190 nan 0.000 0.455 290 L N 0.492 121.731 121.223 0.026 0.000 2.450 290 L HA -0.105 4.255 4.340 0.033 0.000 0.224 290 L C 1.882 178.713 176.870 -0.067 0.000 1.149 290 L CA 1.056 55.921 54.840 0.042 0.000 0.816 290 L CB -0.772 41.234 42.059 -0.088 0.000 0.932 290 L HN 0.411 nan 8.230 nan 0.000 0.449 291 N N -0.688 117.925 118.700 -0.145 0.000 2.521 291 N HA -0.075 4.685 4.740 0.033 0.000 0.188 291 N C 0.076 175.251 175.510 -0.558 0.000 1.146 291 N CA 0.758 53.574 53.050 -0.391 0.000 0.893 291 N CB 0.136 38.269 38.487 -0.589 0.000 0.975 291 N HN 0.384 nan 8.380 nan 0.000 0.451 292 Y N -0.422 119.851 120.300 -0.046 0.000 2.672 292 Y HA 0.315 4.885 4.550 0.033 0.000 0.272 292 Y C 1.228 176.961 175.900 -0.279 0.000 1.055 292 Y CA -0.609 57.487 58.100 -0.007 0.000 1.151 292 Y CB 0.409 38.986 38.460 0.195 0.000 1.190 292 Y HN -0.183 nan 8.280 nan 0.000 0.574 293 K N 0.507 120.527 120.400 -0.633 0.000 2.113 293 K HA -0.204 4.136 4.320 0.033 0.000 0.208 293 K C 1.095 177.194 176.600 -0.836 0.000 1.047 293 K CA 1.924 57.338 56.287 -1.455 0.000 0.928 293 K CB -0.095 31.926 32.500 -0.797 0.000 0.716 293 K HN 0.469 nan 8.250 nan 0.000 0.446 294 D N 0.342 120.544 120.400 -0.331 0.000 2.338 294 D HA -0.078 4.582 4.640 0.033 0.000 0.239 294 D C 0.762 177.062 176.300 0.001 0.000 1.095 294 D CA 0.624 54.545 54.000 -0.131 0.000 0.888 294 D CB 0.148 40.900 40.800 -0.079 0.000 0.899 294 D HN 0.087 nan 8.370 nan 0.000 0.525 295 K N -1.078 119.376 120.400 0.090 0.000 2.402 295 K HA 0.171 4.511 4.320 0.033 0.000 0.204 295 K C 0.845 177.658 176.600 0.355 0.000 1.056 295 K CA -0.355 56.060 56.287 0.212 0.000 1.069 295 K CB 0.301 32.948 32.500 0.245 0.000 0.888 295 K HN -0.116 nan 8.250 nan 0.000 0.546 296 F N 2.176 122.160 119.950 0.056 0.000 2.126 296 F HA -0.179 4.368 4.527 0.033 0.000 0.299 296 F C 2.226 178.046 175.800 0.034 0.000 1.096 296 F CA 1.241 59.268 58.000 0.045 0.000 1.255 296 F CB -0.783 38.237 39.000 0.034 0.000 0.997 296 F HN 0.205 nan 8.300 nan 0.000 0.479 297 E N 0.571 120.907 120.200 0.225 0.000 2.013 297 E HA -0.222 4.148 4.350 0.033 0.000 0.202 297 E C -0.502 176.146 176.600 0.081 0.000 1.018 297 E CA 1.922 58.396 56.400 0.124 0.000 0.834 297 E CB -1.079 28.671 29.700 0.083 0.000 0.770 297 E HN 0.124 nan 8.360 nan 0.000 0.459 298 P HA -0.141 nan 4.420 nan 0.000 0.216 298 P C 1.360 178.654 177.300 -0.010 0.000 1.153 298 P CA 1.972 65.081 63.100 0.015 0.000 0.858 298 P CB -0.438 31.274 31.700 0.020 0.000 0.789 299 G N 0.387 109.209 108.800 0.035 0.000 2.491 299 G HA2 -0.257 3.723 3.960 0.033 0.000 0.218 299 G HA3 -0.257 3.723 3.960 0.033 0.000 0.218 299 G C 1.468 176.358 174.900 -0.016 0.000 1.180 299 G CA 0.747 45.852 45.100 0.009 0.000 0.774 299 G HN 0.133 nan 8.290 nan 0.000 0.562 300 I N 0.973 121.559 120.570 0.026 0.000 2.226 300 I HA -0.076 4.114 4.170 0.033 0.000 0.245 300 I C 2.882 179.014 176.117 0.024 0.000 1.100 300 I CA 0.802 62.130 61.300 0.046 0.000 1.374 300 I CB -1.095 36.965 38.000 0.100 0.000 1.057 300 I HN 0.172 nan 8.210 nan 0.000 0.413 301 L N -0.031 121.193 121.223 0.002 0.000 2.083 301 L HA -0.260 4.100 4.340 0.033 0.000 0.209 301 L C 2.635 179.427 176.870 -0.129 0.000 1.083 301 L CA 1.318 56.139 54.840 -0.031 0.000 0.752 301 L CB -0.570 41.472 42.059 -0.029 0.000 0.899 301 L HN 0.272 nan 8.230 nan 0.000 0.433 302 Q N 0.541 120.205 119.800 -0.225 0.000 2.046 302 Q HA -0.153 4.207 4.340 0.033 0.000 0.200 302 Q C 2.170 177.841 176.000 -0.547 0.000 0.975 302 Q CA 1.604 57.097 55.803 -0.517 0.000 0.836 302 Q CB -0.251 28.099 28.738 -0.645 0.000 0.896 302 Q HN 0.413 nan 8.270 nan 0.000 0.428 303 L N -0.156 120.935 121.223 -0.220 0.000 2.017 303 L HA -0.176 4.184 4.340 0.033 0.000 0.208 303 L C 2.616 179.562 176.870 0.127 0.000 1.073 303 L CA 1.474 56.349 54.840 0.058 0.000 0.745 303 L CB -0.832 41.281 42.059 0.090 0.000 0.894 303 L HN 0.285 nan 8.230 nan 0.000 0.432 304 S N -0.701 115.045 115.700 0.076 0.000 2.365 304 S HA -0.324 4.166 4.470 0.033 0.000 0.225 304 S C 2.048 176.736 174.600 0.146 0.000 1.039 304 S CA 1.923 60.215 58.200 0.154 0.000 1.033 304 S CB -0.220 63.047 63.200 0.113 0.000 0.887 304 S HN 0.445 nan 8.310 nan 0.000 0.447 305 Q N -1.007 118.793 119.800 0.000 0.000 2.061 305 Q HA -0.151 4.209 4.340 0.033 0.000 0.204 305 Q C 1.891 177.915 176.000 0.041 0.000 0.984 305 Q CA 1.805 57.579 55.803 -0.048 0.000 0.846 305 Q CB -0.259 28.365 28.738 -0.190 0.000 0.902 305 Q HN 0.714 nan 8.270 nan 0.000 0.421 306 W N -0.214 121.080 121.300 -0.010 0.000 2.388 306 W HA -0.170 4.510 4.660 0.032 0.000 0.294 306 W C 2.054 178.576 176.519 0.003 0.000 1.212 306 W CA 0.475 57.772 57.345 -0.079 0.000 1.271 306 W CB -1.049 28.362 29.460 -0.081 0.000 1.126 306 W HN 0.270 nan 8.180 nan 0.000 0.535 307 F N 1.846 121.902 119.950 0.178 0.000 2.113 307 F HA -0.134 4.406 4.527 0.022 0.000 0.297 307 F C 2.034 177.868 175.800 0.056 0.000 1.103 307 F CA 1.834 59.886 58.000 0.087 0.000 1.248 307 F CB -0.633 38.394 39.000 0.045 0.000 0.999 307 F HN -0.271 nan 8.300 nan 0.000 0.475 308 K N 0.140 120.400 120.400 -0.233 0.000 2.362 308 K HA -0.123 4.217 4.320 0.033 0.000 0.200 308 K C 1.603 178.074 176.600 -0.216 0.000 1.046 308 K CA 1.346 57.428 56.287 -0.341 0.000 0.952 308 K CB -0.212 32.220 32.500 -0.113 0.000 0.753 308 K HN 0.444 nan 8.250 nan 0.000 0.466 309 E N -0.483 119.648 120.200 -0.115 0.000 2.489 309 E HA 0.010 4.380 4.350 0.033 0.000 0.193 309 E C 0.845 177.386 176.600 -0.099 0.000 1.057 309 E CA 0.264 56.616 56.400 -0.079 0.000 0.866 309 E CB 0.413 30.101 29.700 -0.021 0.000 0.916 309 E HN 0.453 nan 8.360 nan 0.000 0.500 310 G N 1.654 110.369 108.800 -0.142 0.000 2.184 310 G HA2 -0.361 3.619 3.960 0.033 0.000 0.264 310 G HA3 -0.361 3.619 3.960 0.033 0.000 0.264 310 G C 0.934 175.812 174.900 -0.037 0.000 0.975 310 G CA 0.834 45.873 45.100 -0.101 0.000 0.642 310 G HN 0.220 nan 8.290 nan 0.000 0.536 311 K N -0.950 119.424 120.400 -0.044 0.000 1.980 311 K HA 0.173 4.513 4.320 0.033 0.000 0.208 311 K C 1.232 177.901 176.600 0.115 0.000 1.043 311 K CA 0.830 57.066 56.287 -0.086 0.000 0.938 311 K CB -0.084 32.158 32.500 -0.431 0.000 0.724 311 K HN 0.344 nan 8.250 nan 0.000 0.438 312 L N 2.834 124.176 121.223 0.199 0.000 2.418 312 L HA 0.046 4.406 4.340 0.033 0.000 0.274 312 L C -0.728 176.288 176.870 0.243 0.000 1.135 312 L CA 0.398 55.438 54.840 0.334 0.000 0.870 312 L CB 0.365 42.678 42.059 0.424 0.000 1.154 312 L HN -0.065 nan 8.230 nan 0.000 0.462 313 K N 7.181 127.671 120.400 0.149 0.000 2.211 313 K HA 0.443 4.783 4.320 0.033 0.000 0.275 313 K C -0.692 175.889 176.600 -0.031 0.000 1.024 313 K CA -0.265 56.069 56.287 0.080 0.000 0.887 313 K CB 1.446 33.979 32.500 0.055 0.000 1.084 313 K HN 0.614 nan 8.250 nan 0.000 0.463 314 I N 3.733 124.218 120.570 -0.141 0.000 2.339 314 I HA 0.225 4.415 4.170 0.033 0.000 0.290 314 I C 0.154 176.085 176.117 -0.310 0.000 0.994 314 I CA -0.731 60.335 61.300 -0.390 0.000 1.191 314 I CB 1.069 38.482 38.000 -0.978 0.000 1.343 314 I HN 0.115 nan 8.210 nan 0.000 0.458 315 K N 6.870 127.131 120.400 -0.232 0.000 2.270 315 K HA 0.562 4.902 4.320 0.033 0.000 0.255 315 K C -0.705 175.814 176.600 -0.135 0.000 0.936 315 K CA -0.582 55.618 56.287 -0.145 0.000 0.809 315 K CB 2.548 34.992 32.500 -0.094 0.000 1.131 315 K HN 0.728 nan 8.250 nan 0.000 0.427 316 E N 0.055 120.208 120.200 -0.078 0.000 2.408 316 E HA 0.486 4.856 4.350 0.033 0.000 0.275 316 E C -1.177 175.413 176.600 -0.016 0.000 0.935 316 E CA -0.870 55.504 56.400 -0.042 0.000 0.775 316 E CB 1.732 31.426 29.700 -0.011 0.000 1.277 316 E HN 0.185 nan 8.360 nan 0.000 0.455 317 T N 1.313 115.861 114.554 -0.011 0.000 2.809 317 T HA 0.405 4.775 4.350 0.033 0.000 0.284 317 T C -0.893 173.811 174.700 0.006 0.000 0.992 317 T CA -0.569 61.529 62.100 -0.003 0.000 0.957 317 T CB 1.300 70.162 68.868 -0.010 0.000 0.942 317 T HN 0.328 nan 8.240 nan 0.000 0.439 318 V N 3.766 123.691 119.914 0.018 0.000 2.417 318 V HA 0.605 4.745 4.120 0.033 0.000 0.291 318 V C -0.063 176.040 176.094 0.015 0.000 1.024 318 V CA -0.755 61.565 62.300 0.033 0.000 0.861 318 V CB 1.650 33.516 31.823 0.071 0.000 0.985 318 V HN 0.786 nan 8.190 nan 0.000 0.436 319 I N 4.902 125.472 120.570 -0.000 0.000 2.603 319 I HA 0.620 4.810 4.170 0.033 0.000 0.300 319 I C -0.338 175.759 176.117 -0.034 0.000 1.017 319 I CA -0.709 60.580 61.300 -0.019 0.000 1.098 319 I CB 1.942 39.923 38.000 -0.032 0.000 1.279 319 I HN 0.824 nan 8.210 nan 0.000 0.437 320 N N 3.926 122.603 118.700 -0.038 0.000 2.456 320 N HA 0.749 5.509 4.740 0.033 0.000 0.288 320 N C 0.017 175.485 175.510 -0.071 0.000 1.059 320 N CA 0.619 53.635 53.050 -0.056 0.000 0.946 320 N CB 1.582 40.042 38.487 -0.044 0.000 1.150 320 N HN 1.371 nan 8.380 nan 0.000 0.479 321 G N 0.667 109.410 108.800 -0.095 0.000 3.225 321 G HA2 -0.181 3.799 3.960 0.033 0.000 0.686 321 G HA3 -0.181 3.799 3.960 0.033 0.000 0.686 321 G C 0.448 175.278 174.900 -0.116 0.000 1.105 321 G CA -0.668 44.377 45.100 -0.091 0.000 0.831 321 G HN 0.498 nan 8.290 nan 0.000 0.578 322 L N 1.326 122.480 121.223 -0.114 0.000 2.187 322 L HA 0.007 4.367 4.340 0.033 0.000 0.213 322 L C 2.656 179.461 176.870 -0.109 0.000 1.100 322 L CA 2.778 57.538 54.840 -0.133 0.000 0.765 322 L CB -0.096 41.913 42.059 -0.083 0.000 0.904 322 L HN 0.855 nan 8.230 nan 0.000 0.437 323 E N -1.574 118.585 120.200 -0.068 0.000 2.512 323 E HA -0.135 4.235 4.350 0.033 0.000 0.195 323 E C 0.368 176.942 176.600 -0.044 0.000 1.083 323 E CA 0.356 56.733 56.400 -0.038 0.000 0.873 323 E CB -0.539 29.150 29.700 -0.019 0.000 0.897 323 E HN 0.542 nan 8.360 nan 0.000 0.514 324 N N 0.093 118.741 118.700 -0.086 0.000 2.177 324 N HA 0.131 4.891 4.740 0.033 0.000 0.218 324 N C 1.075 176.501 175.510 -0.140 0.000 1.182 324 N CA -0.184 52.818 53.050 -0.081 0.000 0.882 324 N CB 0.299 38.744 38.487 -0.069 0.000 1.052 324 N HN 0.077 nan 8.380 nan 0.000 0.519 325 M N 0.227 119.682 119.600 -0.241 0.000 2.065 325 M HA -0.027 4.473 4.480 0.033 0.000 0.259 325 M C 2.223 178.337 176.300 -0.309 0.000 1.071 325 M CA 1.432 56.464 55.300 -0.447 0.000 1.109 325 M CB -1.598 30.544 32.600 -0.763 0.000 1.313 325 M HN 0.114 nan 8.290 nan 0.000 0.408 326 G N -0.079 108.586 108.800 -0.225 0.000 2.491 326 G HA2 -0.152 3.828 3.960 0.033 0.000 0.218 326 G HA3 -0.152 3.828 3.960 0.033 0.000 0.218 326 G C 1.660 176.664 174.900 0.173 0.000 1.180 326 G CA 1.728 46.837 45.100 0.015 0.000 0.774 326 G HN 0.572 nan 8.290 nan 0.000 0.562 327 A N 1.014 123.891 122.820 0.096 0.000 1.940 327 A HA 0.222 4.562 4.320 0.033 0.000 0.219 327 A C 2.803 180.425 177.584 0.064 0.000 1.176 327 A CA 2.420 54.509 52.037 0.085 0.000 0.631 327 A CB -0.739 18.288 19.000 0.044 0.000 0.814 327 A HN 0.887 nan 8.150 nan 0.000 0.446 328 A N -1.509 121.325 122.820 0.022 0.000 1.930 328 A HA 0.017 4.357 4.320 0.033 0.000 0.217 328 A C 2.045 179.671 177.584 0.070 0.000 1.175 328 A CA 1.368 53.410 52.037 0.009 0.000 0.627 328 A CB -0.642 18.325 19.000 -0.055 0.000 0.815 328 A HN 0.663 nan 8.150 nan 0.000 0.443 329 F N 0.372 120.312 119.950 -0.018 0.000 2.146 329 F HA -0.194 4.353 4.527 0.032 0.000 0.298 329 F C 2.503 178.370 175.800 0.112 0.000 1.096 329 F CA 2.169 60.212 58.000 0.072 0.000 1.275 329 F CB -0.169 38.923 39.000 0.154 0.000 1.008 329 F HN 0.348 nan 8.300 nan 0.000 0.480 330 Q N -0.332 119.548 119.800 0.132 0.000 2.050 330 Q HA -0.247 4.113 4.340 0.033 0.000 0.202 330 Q C 2.454 178.424 176.000 -0.051 0.000 0.980 330 Q CA 2.047 57.870 55.803 0.033 0.000 0.840 330 Q CB -0.415 28.406 28.738 0.137 0.000 0.898 330 Q HN 0.450 nan 8.270 nan 0.000 0.424 331 S N -0.275 115.415 115.700 -0.016 0.000 2.370 331 S HA -0.189 4.301 4.470 0.033 0.000 0.226 331 S C 1.932 176.495 174.600 -0.061 0.000 1.033 331 S CA 1.382 59.565 58.200 -0.028 0.000 1.011 331 S CB -0.288 62.905 63.200 -0.010 0.000 0.852 331 S HN 0.490 nan 8.310 nan 0.000 0.457 332 M N 0.370 119.915 119.600 -0.092 0.000 2.099 332 M HA -0.006 4.494 4.480 0.033 0.000 0.262 332 M C 1.767 177.974 176.300 -0.154 0.000 1.067 332 M CA 1.551 56.788 55.300 -0.104 0.000 1.124 332 M CB -0.695 31.854 32.600 -0.085 0.000 1.353 332 M HN 0.337 nan 8.290 nan 0.000 0.410 333 M N 0.328 119.757 119.600 -0.285 0.000 2.358 333 M HA -0.091 4.409 4.480 0.033 0.000 0.264 333 M C 1.570 177.802 176.300 -0.113 0.000 1.064 333 M CA 1.604 56.751 55.300 -0.255 0.000 1.093 333 M CB -1.662 30.711 32.600 -0.378 0.000 1.401 333 M HN 0.458 nan 8.290 nan 0.000 0.440 334 T N -4.021 110.484 114.554 -0.083 0.000 3.228 334 T HA 0.506 4.876 4.350 0.033 0.000 0.278 334 T C 1.051 175.737 174.700 -0.023 0.000 1.014 334 T CA 0.270 62.349 62.100 -0.035 0.000 0.904 334 T CB -0.086 68.768 68.868 -0.023 0.000 1.110 334 T HN 0.533 nan 8.240 nan 0.000 0.541 335 G N 0.422 109.207 108.800 -0.026 0.000 2.147 335 G HA2 -0.196 3.784 3.960 0.033 0.000 0.244 335 G HA3 -0.196 3.784 3.960 0.033 0.000 0.244 335 G C 1.026 175.911 174.900 -0.025 0.000 1.005 335 G CA -0.037 45.053 45.100 -0.015 0.000 0.713 335 G HN 0.951 nan 8.290 nan 0.000 0.515 336 G N 0.336 109.119 108.800 -0.029 0.000 2.484 336 G HA2 0.082 4.062 3.960 0.033 0.000 0.218 336 G HA3 0.082 4.062 3.960 0.033 0.000 0.218 336 G C 0.780 175.665 174.900 -0.024 0.000 1.130 336 G CA 0.769 45.854 45.100 -0.025 0.000 0.784 336 G HN 0.996 nan 8.290 nan 0.000 0.543 337 N N 0.394 119.079 118.700 -0.024 0.000 2.472 337 N HA 0.308 5.068 4.740 0.033 0.000 0.277 337 N C -1.183 174.312 175.510 -0.026 0.000 1.081 337 N CA -0.498 52.539 53.050 -0.022 0.000 0.973 337 N CB 1.992 40.468 38.487 -0.017 0.000 1.105 337 N HN -0.117 nan 8.380 nan 0.000 0.470 338 I N 1.635 122.188 120.570 -0.030 0.000 2.315 338 I HA 0.370 4.560 4.170 0.033 0.000 0.291 338 I C 1.342 177.434 176.117 -0.043 0.000 1.006 338 I CA 0.435 61.711 61.300 -0.040 0.000 1.265 338 I CB 0.852 38.826 38.000 -0.042 0.000 1.387 338 I HN 0.939 nan 8.210 nan 0.000 0.475 339 G N 5.240 114.011 108.800 -0.050 0.000 2.601 339 G HA2 -0.300 3.680 3.960 0.033 0.000 0.261 339 G HA3 -0.300 3.680 3.960 0.033 0.000 0.261 339 G C -0.072 174.806 174.900 -0.036 0.000 1.289 339 G CA -0.338 44.729 45.100 -0.055 0.000 0.920 339 G HN 0.736 nan 8.290 nan 0.000 0.571 340 K N 0.482 120.856 120.400 -0.043 0.000 2.416 340 K HA 0.440 4.780 4.320 0.033 0.000 0.283 340 K C 0.464 177.059 176.600 -0.009 0.000 1.037 340 K CA 0.327 56.603 56.287 -0.018 0.000 0.995 340 K CB 0.882 33.364 32.500 -0.031 0.000 0.938 340 K HN 0.694 nan 8.250 nan 0.000 0.475 341 Q N 4.970 124.775 119.800 0.008 0.000 2.307 341 Q HA 0.241 4.601 4.340 0.033 0.000 0.261 341 Q C -0.899 175.104 176.000 0.006 0.000 1.051 341 Q CA 0.151 55.958 55.803 0.006 0.000 0.911 341 Q CB 0.238 28.984 28.738 0.013 0.000 1.227 341 Q HN 0.542 nan 8.270 nan 0.000 0.418 342 I N 4.571 125.140 120.570 -0.002 0.000 2.569 342 I HA 0.397 4.587 4.170 0.033 0.000 0.296 342 I C -0.840 175.283 176.117 0.010 0.000 1.028 342 I CA -0.931 60.371 61.300 0.004 0.000 1.082 342 I CB 2.134 40.129 38.000 -0.008 0.000 1.264 342 I HN 0.330 nan 8.210 nan 0.000 0.429 343 V N 4.598 124.506 119.914 -0.011 0.000 2.357 343 V HA 0.228 4.368 4.120 0.033 0.000 0.284 343 V C 0.012 176.094 176.094 -0.020 0.000 1.018 343 V CA -0.693 61.571 62.300 -0.061 0.000 0.841 343 V CB 1.715 33.412 31.823 -0.209 0.000 0.991 343 V HN 0.883 nan 8.190 nan 0.000 0.437 344 C N 6.906 126.193 119.300 -0.022 0.000 2.464 344 C HA 0.366 4.846 4.460 0.033 0.000 0.370 344 C C 1.534 176.375 174.990 -0.249 0.000 1.267 344 C CA -0.367 58.525 59.018 -0.209 0.000 1.781 344 C CB -0.951 26.707 27.740 -0.136 0.000 2.431 344 C HN 0.777 nan 8.230 nan 0.000 0.556 345 I N 4.232 124.603 120.570 -0.332 0.000 3.427 345 I HA 0.134 4.324 4.170 0.033 0.000 0.288 345 I C 1.438 177.441 176.117 -0.189 0.000 1.249 345 I CA 0.824 61.987 61.300 -0.228 0.000 1.421 345 I CB -1.003 36.870 38.000 -0.211 0.000 1.086 345 I HN 0.612 nan 8.210 nan 0.000 0.448 346 S N 0.101 115.654 115.700 -0.246 0.000 2.568 346 S HA 0.524 5.014 4.470 0.033 0.000 0.302 346 S C 1.074 175.590 174.600 -0.139 0.000 1.082 346 S CA 0.099 58.198 58.200 -0.168 0.000 1.009 346 S CB 1.872 64.974 63.200 -0.164 0.000 1.069 346 S HN 0.326 nan 8.310 nan 0.000 0.500 347 E N 0.869 121.018 120.200 -0.085 0.000 2.482 347 E HA 0.064 4.434 4.350 0.033 0.000 0.196 347 E C 0.642 177.210 176.600 -0.055 0.000 1.047 347 E CA 0.637 57.000 56.400 -0.062 0.000 0.869 347 E CB -0.423 29.253 29.700 -0.040 0.000 0.836 347 E HN 0.638 nan 8.360 nan 0.000 0.520 348 E N 0.000 120.163 120.200 -0.062 0.000 2.725 348 E HA 0.000 4.370 4.350 0.033 0.000 0.291 348 E CA 0.000 56.377 56.400 -0.039 0.000 0.976 348 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 348 E HN 0.000 nan 8.360 nan 0.000 0.440