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 1ryw_1_H DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 D N 3.997 124.417 120.400 0.034 0.000 2.423 2 D HA 0.415 5.081 4.640 0.043 0.000 0.238 2 D C -0.345 175.958 176.300 0.005 0.000 1.142 2 D CA 0.725 54.742 54.000 0.030 0.000 0.884 2 D CB 0.773 41.586 40.800 0.023 0.000 1.199 2 D HN 0.517 nan 8.370 nan 0.000 0.438 3 K N 0.620 121.041 120.400 0.034 0.000 2.466 3 K HA 0.486 4.832 4.320 0.043 0.000 0.260 3 K C -0.837 175.884 176.600 0.202 0.000 1.011 3 K CA -0.792 55.517 56.287 0.036 0.000 0.871 3 K CB 2.002 34.539 32.500 0.062 0.000 1.404 3 K HN 0.300 nan 8.250 nan 0.000 0.450 4 F N 1.530 121.486 119.950 0.009 0.000 2.427 4 F HA 0.364 4.910 4.527 0.031 0.000 0.348 4 F C 0.223 176.022 175.800 -0.001 0.000 1.125 4 F CA -0.996 57.005 58.000 0.002 0.000 0.989 4 F CB 1.770 40.764 39.000 -0.011 0.000 1.165 4 F HN 0.253 nan 8.300 nan 0.000 0.442 5 R N 4.283 124.877 120.500 0.158 0.000 2.207 5 R HA 0.580 4.945 4.340 0.043 0.000 0.334 5 R C -1.753 174.558 176.300 0.019 0.000 1.013 5 R CA -0.297 55.847 56.100 0.073 0.000 0.858 5 R CB 1.134 31.463 30.300 0.048 0.000 1.094 5 R HN 0.466 nan 8.270 nan 0.000 0.457 6 V N 4.589 124.514 119.914 0.018 0.000 2.604 6 V HA 0.316 4.462 4.120 0.043 0.000 0.305 6 V C -0.475 175.613 176.094 -0.011 0.000 1.043 6 V CA -0.896 61.395 62.300 -0.014 0.000 0.888 6 V CB 1.888 33.706 31.823 -0.010 0.000 0.995 6 V HN 0.734 nan 8.190 nan 0.000 0.429 7 Q N 2.577 122.364 119.800 -0.022 0.000 2.333 7 Q HA 0.653 5.019 4.340 0.043 0.000 0.265 7 Q C 0.056 176.045 176.000 -0.018 0.000 0.989 7 Q CA -0.170 55.623 55.803 -0.016 0.000 0.842 7 Q CB 2.549 31.277 28.738 -0.016 0.000 1.262 7 Q HN 0.983 nan 8.270 nan 0.000 0.451 8 G N 2.688 111.479 108.800 -0.014 0.000 2.818 8 G HA2 0.714 4.700 3.960 0.043 0.000 0.286 8 G HA3 0.714 4.700 3.960 0.043 0.000 0.286 8 G C -2.816 172.077 174.900 -0.012 0.000 1.364 8 G CA -1.221 43.871 45.100 -0.015 0.000 0.938 8 G HN 0.311 nan 8.290 nan 0.000 0.490 9 P HA 0.364 nan 4.420 nan 0.000 0.286 9 P C -0.661 176.631 177.300 -0.013 0.000 1.261 9 P CA -0.093 62.999 63.100 -0.013 0.000 0.821 9 P CB 1.630 33.323 31.700 -0.012 0.000 1.013 10 T N -0.476 114.070 114.554 -0.014 0.000 2.912 10 T HA 0.440 4.815 4.350 0.043 0.000 0.299 10 T C -0.316 174.378 174.700 -0.011 0.000 1.052 10 T CA -1.050 61.043 62.100 -0.013 0.000 0.996 10 T CB 1.720 70.578 68.868 -0.016 0.000 1.070 10 T HN 0.423 nan 8.240 nan 0.000 0.465 11 R N 2.901 123.396 120.500 -0.008 0.000 2.234 11 R HA 0.447 4.813 4.340 0.043 0.000 0.324 11 R C -0.720 175.578 176.300 -0.004 0.000 1.054 11 R CA -0.701 55.395 56.100 -0.007 0.000 0.912 11 R CB 0.202 30.499 30.300 -0.005 0.000 1.030 11 R HN 0.696 nan 8.270 nan 0.000 0.455 12 L N 5.036 126.259 121.223 0.001 0.000 2.281 12 L HA 0.249 4.615 4.340 0.043 0.000 0.285 12 L C -0.149 176.728 176.870 0.011 0.000 1.074 12 L CA -0.293 54.555 54.840 0.013 0.000 0.817 12 L CB 1.089 43.167 42.059 0.032 0.000 1.168 12 L HN 0.657 nan 8.230 nan 0.000 0.434 13 Q N 3.299 123.102 119.800 0.005 0.000 2.345 13 Q HA 0.831 5.197 4.340 0.043 0.000 0.275 13 Q C -0.497 175.496 176.000 -0.012 0.000 1.063 13 Q CA 0.105 55.905 55.803 -0.005 0.000 0.819 13 Q CB 2.574 31.305 28.738 -0.012 0.000 1.356 13 Q HN 0.720 nan 8.270 nan 0.000 0.418 14 G N 1.929 110.717 108.800 -0.020 0.000 2.240 14 G HA2 0.117 4.102 3.960 0.043 0.000 0.199 14 G HA3 0.117 4.102 3.960 0.043 0.000 0.199 14 G C -1.402 173.470 174.900 -0.046 0.000 1.342 14 G CA -0.313 44.766 45.100 -0.035 0.000 1.145 14 G HN 0.683 nan 8.290 nan 0.000 0.477 15 E N -1.609 118.551 120.200 -0.067 0.000 2.393 15 E HA 0.651 5.026 4.350 0.043 0.000 0.273 15 E C -1.568 174.947 176.600 -0.141 0.000 0.918 15 E CA -0.802 55.547 56.400 -0.086 0.000 0.773 15 E CB 3.256 32.909 29.700 -0.079 0.000 1.275 15 E HN 0.860 nan 8.360 nan 0.000 0.451 16 V N 1.001 120.809 119.914 -0.177 0.000 2.932 16 V HA 0.402 4.548 4.120 0.043 0.000 0.307 16 V C -1.450 174.532 176.094 -0.187 0.000 1.147 16 V CA -0.286 61.841 62.300 -0.289 0.000 0.951 16 V CB 2.460 33.884 31.823 -0.666 0.000 1.031 16 V HN 0.715 nan 8.190 nan 0.000 0.426 17 T N 7.626 122.087 114.554 -0.154 0.000 2.753 17 T HA 0.497 4.872 4.350 0.043 0.000 0.297 17 T C -0.048 174.617 174.700 -0.058 0.000 0.981 17 T CA -0.263 61.792 62.100 -0.075 0.000 0.956 17 T CB 0.365 69.203 68.868 -0.049 0.000 0.936 17 T HN 0.466 nan 8.240 nan 0.000 0.463 18 I N 3.338 123.896 120.570 -0.019 0.000 2.683 18 I HA 0.066 4.261 4.170 0.043 0.000 0.286 18 I C 1.189 177.320 176.117 0.023 0.000 1.175 18 I CA 0.237 61.552 61.300 0.025 0.000 1.429 18 I CB -0.100 37.931 38.000 0.052 0.000 1.371 18 I HN 0.554 nan 8.210 nan 0.000 0.569 19 S N 4.253 119.976 115.700 0.039 0.000 2.655 19 S HA 0.494 4.989 4.470 0.043 0.000 0.265 19 S C 0.683 175.286 174.600 0.004 0.000 1.240 19 S CA -0.589 57.623 58.200 0.020 0.000 0.986 19 S CB 1.204 64.424 63.200 0.034 0.000 0.985 19 S HN 0.852 nan 8.310 nan 0.000 0.562 20 G N 0.081 108.873 108.800 -0.013 0.000 2.554 20 G HA2 0.442 4.428 3.960 0.043 0.000 0.238 20 G HA3 0.442 4.428 3.960 0.043 0.000 0.238 20 G C -0.063 174.823 174.900 -0.024 0.000 1.259 20 G CA -0.384 44.700 45.100 -0.025 0.000 0.843 20 G HN 0.909 nan 8.290 nan 0.000 0.582 21 A N 1.299 124.104 122.820 -0.025 0.000 2.491 21 A HA 0.253 4.599 4.320 0.043 0.000 0.261 21 A C 1.655 179.223 177.584 -0.027 0.000 1.101 21 A CA 0.263 52.284 52.037 -0.028 0.000 0.772 21 A CB 0.272 19.258 19.000 -0.025 0.000 1.043 21 A HN 0.916 nan 8.150 nan 0.000 0.501 22 K N 2.547 122.926 120.400 -0.034 0.000 2.044 22 K HA -0.196 4.150 4.320 0.043 0.000 0.210 22 K C 0.527 177.146 176.600 0.031 0.000 1.049 22 K CA 2.029 58.308 56.287 -0.015 0.000 0.927 22 K CB -0.128 32.347 32.500 -0.042 0.000 0.713 22 K HN 0.726 nan 8.250 nan 0.000 0.443 23 N N 0.054 118.776 118.700 0.036 0.000 2.449 23 N HA 0.005 4.771 4.740 0.043 0.000 0.191 23 N C 0.701 176.238 175.510 0.045 0.000 1.161 23 N CA 0.762 53.869 53.050 0.094 0.000 0.863 23 N CB 0.737 39.285 38.487 0.102 0.000 0.980 23 N HN 0.365 nan 8.380 nan 0.000 0.458 24 A N -0.021 122.795 122.820 -0.007 0.000 1.999 24 A HA 0.455 4.800 4.320 0.043 0.000 0.200 24 A C 2.151 179.680 177.584 -0.091 0.000 1.363 24 A CA 0.688 52.692 52.037 -0.055 0.000 0.844 24 A CB -0.392 18.588 19.000 -0.033 0.000 0.954 24 A HN 0.176 nan 8.150 nan 0.000 0.481 25 A N 0.528 123.310 122.820 -0.064 0.000 1.883 25 A HA -0.061 4.285 4.320 0.043 0.000 0.217 25 A C 2.122 179.656 177.584 -0.084 0.000 1.186 25 A CA 1.583 53.562 52.037 -0.097 0.000 0.624 25 A CB -0.793 18.166 19.000 -0.069 0.000 0.822 25 A HN 0.443 nan 8.150 nan 0.000 0.444 26 L N 0.020 121.264 121.223 0.035 0.000 1.956 26 L HA -0.153 4.213 4.340 0.043 0.000 0.216 26 L C -0.156 176.820 176.870 0.177 0.000 1.073 26 L CA 2.107 57.065 54.840 0.197 0.000 0.762 26 L CB -1.561 40.763 42.059 0.443 0.000 0.889 26 L HN 0.307 nan 8.230 nan 0.000 0.433 27 P HA -0.183 nan 4.420 nan 0.000 0.218 27 P C 1.787 178.923 177.300 -0.273 0.000 1.148 27 P CA 1.708 64.481 63.100 -0.545 0.000 0.822 27 P CB 0.003 31.126 31.700 -0.962 0.000 0.784 28 I N -0.830 119.561 120.570 -0.297 0.000 2.353 28 I HA -0.175 4.020 4.170 0.043 0.000 0.248 28 I C 2.629 178.486 176.117 -0.435 0.000 1.119 28 I CA 0.933 61.930 61.300 -0.506 0.000 1.417 28 I CB -0.533 37.008 38.000 -0.764 0.000 1.078 28 I HN -0.156 nan 8.210 nan 0.000 0.421 29 L N -0.348 120.692 121.223 -0.305 0.000 2.046 29 L HA -0.220 4.146 4.340 0.043 0.000 0.208 29 L C 2.410 179.135 176.870 -0.241 0.000 1.077 29 L CA 1.621 56.285 54.840 -0.294 0.000 0.747 29 L CB -0.523 41.331 42.059 -0.342 0.000 0.896 29 L HN 0.146 nan 8.230 nan 0.000 0.432 30 F N -0.490 119.453 119.950 -0.012 0.000 2.259 30 F HA -0.113 4.441 4.527 0.045 0.000 0.298 30 F C 2.564 178.404 175.800 0.067 0.000 1.088 30 F CA 0.857 58.896 58.000 0.065 0.000 1.358 30 F CB -0.473 38.607 39.000 0.134 0.000 1.040 30 F HN -0.004 nan 8.300 nan 0.000 0.505 31 A N 0.171 123.104 122.820 0.188 0.000 1.972 31 A HA -0.101 4.244 4.320 0.043 0.000 0.219 31 A C 2.337 180.096 177.584 0.292 0.000 1.169 31 A CA 1.475 53.644 52.037 0.221 0.000 0.635 31 A CB -1.173 17.991 19.000 0.272 0.000 0.810 31 A HN 0.294 nan 8.150 nan 0.000 0.446 32 A N -0.358 122.636 122.820 0.290 0.000 2.131 32 A HA -0.013 4.332 4.320 0.043 0.000 0.220 32 A C 1.944 179.641 177.584 0.188 0.000 1.158 32 A CA 1.206 53.413 52.037 0.283 0.000 0.665 32 A CB -0.601 18.509 19.000 0.184 0.000 0.795 32 A HN 0.505 nan 8.150 nan 0.000 0.460 33 L N -0.890 120.448 121.223 0.192 0.000 2.353 33 L HA -0.132 4.234 4.340 0.043 0.000 0.220 33 L C 1.982 178.983 176.870 0.218 0.000 1.133 33 L CA 0.638 55.615 54.840 0.228 0.000 0.798 33 L CB -0.303 41.927 42.059 0.286 0.000 0.922 33 L HN 0.431 nan 8.230 nan 0.000 0.445 34 L N -0.603 120.707 121.223 0.146 0.000 2.418 34 L HA 0.108 4.473 4.340 0.043 0.000 0.218 34 L C 1.349 178.231 176.870 0.019 0.000 1.125 34 L CA -0.351 54.523 54.840 0.056 0.000 0.835 34 L CB -0.360 41.711 42.059 0.020 0.000 0.953 34 L HN 0.097 nan 8.230 nan 0.000 0.454 35 A N 0.546 123.398 122.820 0.054 0.000 2.454 35 A HA 0.117 4.463 4.320 0.043 0.000 0.260 35 A C 0.937 178.550 177.584 0.048 0.000 1.106 35 A CA -0.191 51.864 52.037 0.029 0.000 0.780 35 A CB 0.126 19.158 19.000 0.054 0.000 1.044 35 A HN 0.324 nan 8.150 nan 0.000 0.498 36 E N 1.434 121.646 120.200 0.019 0.000 2.479 36 E HA 0.023 4.398 4.350 0.043 0.000 0.193 36 E C -0.223 176.401 176.600 0.041 0.000 1.049 36 E CA 0.470 56.889 56.400 0.032 0.000 0.870 36 E CB 0.392 30.095 29.700 0.004 0.000 0.944 36 E HN 0.826 nan 8.360 nan 0.000 0.492 37 E N 0.680 120.903 120.200 0.038 0.000 2.343 37 E HA 0.303 4.679 4.350 0.043 0.000 0.270 37 E C -2.723 173.915 176.600 0.065 0.000 0.895 37 E CA -2.613 53.814 56.400 0.045 0.000 0.767 37 E CB 1.849 31.566 29.700 0.029 0.000 1.248 37 E HN -0.180 nan 8.360 nan 0.000 0.440 38 P HA -0.084 nan 4.420 nan 0.000 0.263 38 P C -1.090 176.283 177.300 0.122 0.000 1.168 38 P CA 0.372 63.537 63.100 0.108 0.000 0.759 38 P CB 0.409 32.175 31.700 0.110 0.000 0.782 39 V N 2.872 122.875 119.914 0.148 0.000 2.789 39 V HA 0.399 4.545 4.120 0.043 0.000 0.311 39 V C -0.144 176.028 176.094 0.130 0.000 1.073 39 V CA -0.501 61.892 62.300 0.156 0.000 0.921 39 V CB 2.165 34.105 31.823 0.195 0.000 1.009 39 V HN 0.487 nan 8.190 nan 0.000 0.426 40 E N 3.497 123.744 120.200 0.079 0.000 2.224 40 E HA 0.610 4.985 4.350 0.043 0.000 0.265 40 E C -1.669 174.852 176.600 -0.132 0.000 0.878 40 E CA -0.608 55.706 56.400 -0.143 0.000 0.759 40 E CB 1.778 31.393 29.700 -0.143 0.000 1.164 40 E HN 0.635 nan 8.360 nan 0.000 0.414 41 I N 4.213 124.621 120.570 -0.270 0.000 2.355 41 I HA 0.214 4.409 4.170 0.043 0.000 0.288 41 I C 0.013 175.960 176.117 -0.284 0.000 0.999 41 I CA -0.561 60.618 61.300 -0.201 0.000 1.163 41 I CB 1.617 39.474 38.000 -0.238 0.000 1.316 41 I HN 0.405 nan 8.210 nan 0.000 0.454 42 Q N 3.815 123.495 119.800 -0.200 0.000 2.205 42 Q HA 0.336 4.701 4.340 0.043 0.000 0.249 42 Q C 0.268 176.178 176.000 -0.150 0.000 0.948 42 Q CA -0.779 54.901 55.803 -0.204 0.000 0.895 42 Q CB 0.882 29.525 28.738 -0.158 0.000 1.249 42 Q HN 0.580 nan 8.270 nan 0.000 0.458 43 N N -0.540 118.083 118.700 -0.128 0.000 2.754 43 N HA -0.163 4.602 4.740 0.043 0.000 0.248 43 N C -1.666 173.794 175.510 -0.083 0.000 1.093 43 N CA 0.249 53.246 53.050 -0.089 0.000 0.699 43 N CB -0.913 37.528 38.487 -0.078 0.000 1.016 43 N HN 0.332 nan 8.380 nan 0.000 0.552 44 V N 1.855 121.707 119.914 -0.103 0.000 2.432 44 V HA 0.361 4.506 4.120 0.043 0.000 0.271 44 V C -1.339 174.723 176.094 -0.055 0.000 1.046 44 V CA -1.013 61.233 62.300 -0.090 0.000 0.945 44 V CB 1.101 32.852 31.823 -0.121 0.000 0.992 44 V HN 0.218 nan 8.190 nan 0.000 0.471 45 P HA 0.163 nan 4.420 nan 0.000 0.272 45 P C -0.801 176.497 177.300 -0.002 0.000 1.230 45 P CA -0.480 62.613 63.100 -0.011 0.000 0.788 45 P CB 0.895 32.590 31.700 -0.008 0.000 0.949 46 K N 2.281 122.691 120.400 0.017 0.000 2.244 46 K HA 0.422 4.767 4.320 0.043 0.000 0.263 46 K C -0.215 176.407 176.600 0.038 0.000 1.103 46 K CA -0.227 56.075 56.287 0.026 0.000 0.966 46 K CB 0.031 32.552 32.500 0.035 0.000 1.429 46 K HN 0.421 nan 8.250 nan 0.000 0.434 47 L N 1.064 122.305 121.223 0.029 0.000 2.309 47 L HA 0.366 4.731 4.340 0.043 0.000 0.261 47 L C 1.386 178.278 176.870 0.037 0.000 1.021 47 L CA -1.085 53.778 54.840 0.038 0.000 0.823 47 L CB 1.287 43.361 42.059 0.025 0.000 1.366 47 L HN 0.288 nan 8.230 nan 0.000 0.423 48 K N 0.738 121.166 120.400 0.046 0.000 2.063 48 K HA -0.170 4.176 4.320 0.043 0.000 0.208 48 K C 1.126 177.748 176.600 0.037 0.000 1.048 48 K CA 1.823 58.135 56.287 0.042 0.000 0.928 48 K CB 0.047 32.580 32.500 0.055 0.000 0.713 48 K HN 0.615 nan 8.250 nan 0.000 0.442 49 D N 0.625 121.051 120.400 0.043 0.000 2.178 49 D HA -0.131 4.534 4.640 0.043 0.000 0.202 49 D C 1.902 178.229 176.300 0.045 0.000 0.974 49 D CA 0.582 54.614 54.000 0.053 0.000 0.841 49 D CB 0.035 40.875 40.800 0.067 0.000 0.953 49 D HN 0.164 nan 8.370 nan 0.000 0.478 50 I N 1.601 122.186 120.570 0.025 0.000 2.315 50 I HA -0.182 4.013 4.170 0.043 0.000 0.248 50 I C 1.766 177.878 176.117 -0.009 0.000 1.117 50 I CA 1.101 62.400 61.300 -0.002 0.000 1.404 50 I CB -0.834 37.160 38.000 -0.011 0.000 1.071 50 I HN -0.054 nan 8.210 nan 0.000 0.419 51 D N 0.730 121.134 120.400 0.006 0.000 2.084 51 D HA -0.137 4.528 4.640 0.043 0.000 0.194 51 D C 2.130 178.433 176.300 0.004 0.000 0.990 51 D CA 1.733 55.736 54.000 0.005 0.000 0.826 51 D CB -0.388 40.419 40.800 0.013 0.000 0.971 51 D HN 0.249 nan 8.370 nan 0.000 0.453 52 T N 0.571 115.135 114.554 0.016 0.000 2.759 52 T HA -0.117 4.258 4.350 0.043 0.000 0.269 52 T C 1.998 176.717 174.700 0.031 0.000 1.042 52 T CA 1.629 63.745 62.100 0.025 0.000 1.140 52 T CB -0.433 68.457 68.868 0.037 0.000 0.864 52 T HN 0.160 nan 8.240 nan 0.000 0.455 53 T N 2.062 116.624 114.554 0.013 0.000 2.777 53 T HA 0.057 4.432 4.350 0.043 0.000 0.266 53 T C 2.034 176.662 174.700 -0.120 0.000 1.040 53 T CA 0.978 63.036 62.100 -0.071 0.000 1.141 53 T CB -0.291 68.470 68.868 -0.178 0.000 0.868 53 T HN 0.351 nan 8.240 nan 0.000 0.444 54 M N 0.554 120.108 119.600 -0.077 0.000 2.175 54 M HA -0.039 4.467 4.480 0.043 0.000 0.264 54 M C 2.295 178.578 176.300 -0.029 0.000 1.063 54 M CA 1.450 56.715 55.300 -0.058 0.000 1.119 54 M CB -0.335 32.248 32.600 -0.029 0.000 1.377 54 M HN 0.149 nan 8.290 nan 0.000 0.415 55 K N 0.683 121.076 120.400 -0.012 0.000 2.026 55 K HA -0.131 4.215 4.320 0.043 0.000 0.208 55 K C 1.984 178.589 176.600 0.008 0.000 1.048 55 K CA 1.218 57.506 56.287 0.001 0.000 0.929 55 K CB -0.401 32.104 32.500 0.008 0.000 0.713 55 K HN 0.294 nan 8.250 nan 0.000 0.439 56 L N 1.460 122.698 121.223 0.025 0.000 2.012 56 L HA -0.228 4.138 4.340 0.043 0.000 0.210 56 L C 2.173 179.066 176.870 0.038 0.000 1.073 56 L CA 1.318 56.194 54.840 0.061 0.000 0.748 56 L CB -0.196 41.950 42.059 0.145 0.000 0.891 56 L HN 0.201 nan 8.230 nan 0.000 0.431 57 L N -0.855 120.365 121.223 -0.006 0.000 2.012 57 L HA -0.246 4.119 4.340 0.043 0.000 0.210 57 L C 2.530 179.391 176.870 -0.015 0.000 1.073 57 L CA 1.948 56.777 54.840 -0.018 0.000 0.748 57 L CB -1.013 41.004 42.059 -0.070 0.000 0.891 57 L HN 0.290 nan 8.230 nan 0.000 0.431 58 T N -1.158 113.387 114.554 -0.016 0.000 2.720 58 T HA -0.276 4.099 4.350 0.043 0.000 0.268 58 T C 1.862 176.545 174.700 -0.028 0.000 1.037 58 T CA 1.325 63.415 62.100 -0.016 0.000 1.144 58 T CB -0.227 68.636 68.868 -0.009 0.000 0.864 58 T HN 0.329 nan 8.240 nan 0.000 0.444 59 Q N 0.444 120.232 119.800 -0.021 0.000 2.364 59 Q HA -0.034 4.332 4.340 0.043 0.000 0.209 59 Q C 1.853 177.815 176.000 -0.064 0.000 0.977 59 Q CA 0.947 56.733 55.803 -0.029 0.000 0.885 59 Q CB -0.232 28.503 28.738 -0.005 0.000 0.941 59 Q HN 0.524 nan 8.270 nan 0.000 0.464 60 L N -1.279 119.903 121.223 -0.069 0.000 2.591 60 L HA 0.157 4.522 4.340 0.043 0.000 0.228 60 L C 1.196 177.951 176.870 -0.192 0.000 1.133 60 L CA 0.590 55.344 54.840 -0.143 0.000 0.880 60 L CB 0.208 42.215 42.059 -0.087 0.000 1.033 60 L HN 0.404 nan 8.230 nan 0.000 0.450 61 G N -0.037 108.692 108.800 -0.118 0.000 2.148 61 G HA2 -0.214 3.771 3.960 0.043 0.000 0.203 61 G HA3 -0.214 3.771 3.960 0.043 0.000 0.203 61 G C 0.214 175.082 174.900 -0.054 0.000 0.993 61 G CA -0.020 45.017 45.100 -0.105 0.000 0.661 61 G HN 0.226 nan 8.290 nan 0.000 0.518 62 T N 1.334 115.870 114.554 -0.031 0.000 2.889 62 T HA 0.481 4.856 4.350 0.043 0.000 0.291 62 T C 0.414 175.121 174.700 0.011 0.000 0.995 62 T CA -0.053 62.050 62.100 0.006 0.000 1.092 62 T CB 1.390 70.269 68.868 0.017 0.000 0.954 62 T HN 0.284 nan 8.240 nan 0.000 0.506 63 K N 2.358 122.775 120.400 0.028 0.000 2.276 63 K HA 0.527 4.872 4.320 0.043 0.000 0.285 63 K C -0.920 175.710 176.600 0.050 0.000 1.062 63 K CA -0.487 55.820 56.287 0.032 0.000 0.918 63 K CB 0.889 33.411 32.500 0.036 0.000 1.055 63 K HN 0.275 nan 8.250 nan 0.000 0.477 64 V N 3.275 123.217 119.914 0.046 0.000 2.709 64 V HA 0.363 4.509 4.120 0.043 0.000 0.308 64 V C -0.695 175.448 176.094 0.083 0.000 1.062 64 V CA -0.909 61.429 62.300 0.065 0.000 0.901 64 V CB 1.889 33.730 31.823 0.029 0.000 1.003 64 V HN 0.818 nan 8.190 nan 0.000 0.425 65 E N 4.032 124.322 120.200 0.149 0.000 2.390 65 E HA 0.817 5.193 4.350 0.043 0.000 0.277 65 E C -1.144 175.648 176.600 0.319 0.000 0.939 65 E CA -1.266 55.238 56.400 0.175 0.000 0.769 65 E CB 3.210 32.983 29.700 0.122 0.000 1.251 65 E HN 0.785 nan 8.360 nan 0.000 0.450 66 R N -0.034 120.634 120.500 0.281 0.000 2.795 66 R HA 0.365 4.731 4.340 0.043 0.000 0.268 66 R C -0.665 175.825 176.300 0.318 0.000 1.041 66 R CA -0.648 55.649 56.100 0.330 0.000 0.927 66 R CB 0.644 31.016 30.300 0.120 0.000 1.235 66 R HN 0.531 nan 8.270 nan 0.000 0.463 67 D N 0.679 121.268 120.400 0.315 0.000 2.099 67 D HA 0.041 4.707 4.640 0.043 0.000 0.278 67 D C 1.434 177.804 176.300 0.118 0.000 1.140 67 D CA 1.032 55.168 54.000 0.228 0.000 0.894 67 D CB -1.052 39.892 40.800 0.240 0.000 0.945 67 D HN 0.624 nan 8.370 nan 0.000 0.338 68 G N -1.012 107.831 108.800 0.071 0.000 2.603 68 G HA2 0.148 4.133 3.960 0.043 0.000 0.214 68 G HA3 0.148 4.133 3.960 0.043 0.000 0.214 68 G C 0.573 175.392 174.900 -0.136 0.000 1.140 68 G CA 0.305 45.394 45.100 -0.019 0.000 0.800 68 G HN 0.368 nan 8.290 nan 0.000 0.533 69 S N -1.314 114.205 115.700 -0.300 0.000 2.747 69 S HA 0.668 5.163 4.470 0.043 0.000 0.300 69 S C -0.867 173.331 174.600 -0.669 0.000 1.121 69 S CA -0.498 57.314 58.200 -0.646 0.000 0.995 69 S CB 2.346 64.833 63.200 -1.190 0.000 1.113 69 S HN -0.056 nan 8.310 nan 0.000 0.547 70 V N 1.691 121.213 119.914 -0.654 0.000 2.483 70 V HA 0.355 4.500 4.120 0.043 0.000 0.297 70 V C -1.169 174.708 176.094 -0.363 0.000 1.027 70 V CA -0.586 61.522 62.300 -0.319 0.000 0.855 70 V CB 1.202 32.917 31.823 -0.180 0.000 0.995 70 V HN 0.772 nan 8.190 nan 0.000 0.424 71 W N 5.570 126.871 121.300 0.000 0.000 2.361 71 W HA 0.595 5.272 4.660 0.029 0.000 0.309 71 W C -0.753 175.772 176.519 0.011 0.000 1.122 71 W CA -0.580 56.773 57.345 0.013 0.000 1.208 71 W CB 1.683 31.151 29.460 0.014 0.000 1.246 71 W HN 0.293 nan 8.180 nan 0.000 0.490 72 I N 3.005 123.689 120.570 0.191 0.000 2.569 72 I HA 0.196 4.391 4.170 0.043 0.000 0.296 72 I C -0.514 175.683 176.117 0.134 0.000 1.028 72 I CA -0.607 60.770 61.300 0.128 0.000 1.082 72 I CB 1.971 40.017 38.000 0.077 0.000 1.264 72 I HN 0.287 nan 8.210 nan 0.000 0.429 73 D N 4.662 125.126 120.400 0.106 0.000 2.358 73 D HA 0.490 5.156 4.640 0.043 0.000 0.253 73 D C -0.096 176.256 176.300 0.086 0.000 1.288 73 D CA -0.289 53.768 54.000 0.095 0.000 0.950 73 D CB 1.578 42.427 40.800 0.082 0.000 1.197 73 D HN 0.600 nan 8.370 nan 0.000 0.550 74 A N 2.439 125.321 122.820 0.103 0.000 2.507 74 A HA 0.156 4.502 4.320 0.043 0.000 0.270 74 A C 1.765 179.441 177.584 0.153 0.000 1.318 74 A CA 0.414 52.527 52.037 0.126 0.000 0.924 74 A CB -0.255 18.839 19.000 0.156 0.000 1.061 74 A HN 0.465 nan 8.150 nan 0.000 0.516 75 S N 0.483 116.254 115.700 0.117 0.000 2.419 75 S HA -0.106 4.389 4.470 0.043 0.000 0.233 75 S C 0.865 175.548 174.600 0.138 0.000 1.016 75 S CA 1.298 59.569 58.200 0.118 0.000 0.974 75 S CB -0.286 62.963 63.200 0.081 0.000 0.786 75 S HN 0.504 nan 8.310 nan 0.000 0.492 76 N N 1.381 120.146 118.700 0.107 0.000 2.467 76 N HA 0.310 5.076 4.740 0.043 0.000 0.278 76 N C -0.948 174.580 175.510 0.028 0.000 1.306 76 N CA -0.100 52.999 53.050 0.082 0.000 0.905 76 N CB 1.188 39.700 38.487 0.043 0.000 1.236 76 N HN 0.196 nan 8.380 nan 0.000 0.509 77 V N 2.771 122.713 119.914 0.047 0.000 2.599 77 V HA -0.040 4.106 4.120 0.043 0.000 0.300 77 V C 1.153 177.030 176.094 -0.361 0.000 1.034 77 V CA 0.478 62.679 62.300 -0.165 0.000 1.115 77 V CB 0.539 32.257 31.823 -0.174 0.000 0.934 77 V HN 0.522 nan 8.190 nan 0.000 0.485 78 N N 2.294 120.681 118.700 -0.521 0.000 2.082 78 N HA 0.087 4.852 4.740 0.043 0.000 0.228 78 N C -0.305 174.614 175.510 -0.985 0.000 1.341 78 N CA -0.363 52.334 53.050 -0.588 0.000 0.873 78 N CB 0.152 38.501 38.487 -0.230 0.000 1.137 78 N HN 0.580 nan 8.380 nan 0.000 0.505 79 N N 0.256 118.287 118.700 -1.115 0.000 2.346 79 N HA 0.387 5.152 4.740 0.043 0.000 0.289 79 N C -1.610 173.292 175.510 -1.014 0.000 1.027 79 N CA -0.634 51.885 53.050 -0.885 0.000 0.864 79 N CB 0.807 39.059 38.487 -0.392 0.000 1.370 79 N HN 0.020 nan 8.380 nan 0.000 0.481 80 F N 0.702 120.590 119.950 -0.105 0.000 2.855 80 F HA 0.407 4.960 4.527 0.043 0.000 0.317 80 F C 0.784 176.581 175.800 -0.005 0.000 1.169 80 F CA -0.589 57.369 58.000 -0.071 0.000 1.299 80 F CB 0.285 39.239 39.000 -0.076 0.000 0.962 80 F HN 0.288 nan 8.300 nan 0.000 0.506 81 S N 1.106 116.847 115.700 0.067 0.000 2.513 81 S HA 0.852 5.348 4.470 0.043 0.000 0.299 81 S C -0.610 174.054 174.600 0.106 0.000 1.087 81 S CA -0.480 57.773 58.200 0.088 0.000 1.012 81 S CB 1.351 64.561 63.200 0.017 0.000 1.044 81 S HN 0.206 nan 8.310 nan 0.000 0.485 82 A N 5.926 128.849 122.820 0.173 0.000 2.316 82 A HA 0.663 5.008 4.320 0.043 0.000 0.324 82 A C -2.585 175.156 177.584 0.262 0.000 1.375 82 A CA -1.790 50.352 52.037 0.175 0.000 0.882 82 A CB 0.331 19.422 19.000 0.150 0.000 1.152 82 A HN 0.677 nan 8.150 nan 0.000 0.512 83 P HA -0.106 nan 4.420 nan 0.000 0.268 83 P C 0.289 177.732 177.300 0.240 0.000 1.208 83 P CA 0.188 63.470 63.100 0.302 0.000 0.777 83 P CB 0.598 32.404 31.700 0.177 0.000 0.875 84 Y N 3.118 123.513 120.300 0.159 0.000 2.165 84 Y HA -0.278 4.299 4.550 0.045 0.000 0.286 84 Y C 1.895 177.795 175.900 0.000 0.000 1.155 84 Y CA 2.499 60.589 58.100 -0.018 0.000 1.164 84 Y CB -0.648 37.794 38.460 -0.030 0.000 0.978 84 Y HN 0.321 nan 8.280 nan 0.000 0.513 85 D N 0.034 120.469 120.400 0.058 0.000 2.218 85 D HA -0.213 4.453 4.640 0.043 0.000 0.204 85 D C 2.127 178.366 176.300 -0.102 0.000 0.976 85 D CA 1.488 55.463 54.000 -0.043 0.000 0.853 85 D CB -0.619 40.218 40.800 0.061 0.000 0.939 85 D HN 0.455 nan 8.370 nan 0.000 0.481 86 L N 0.339 121.530 121.223 -0.055 0.000 2.168 86 L HA -0.042 4.323 4.340 0.043 0.000 0.203 86 L C 2.650 179.469 176.870 -0.085 0.000 1.078 86 L CA 0.286 55.102 54.840 -0.040 0.000 0.780 86 L CB -0.146 41.925 42.059 0.021 0.000 0.939 86 L HN -0.114 nan 8.230 nan 0.000 0.451 87 V N 1.174 121.018 119.914 -0.117 0.000 2.407 87 V HA -0.293 3.852 4.120 0.043 0.000 0.248 87 V C 2.503 178.456 176.094 -0.236 0.000 1.055 87 V CA 2.146 64.354 62.300 -0.155 0.000 1.049 87 V CB -0.841 30.887 31.823 -0.158 0.000 0.662 87 V HN 0.587 nan 8.190 nan 0.000 0.455 88 K N 1.460 121.621 120.400 -0.397 0.000 2.280 88 K HA -0.189 4.156 4.320 0.043 0.000 0.202 88 K C 1.827 178.296 176.600 -0.218 0.000 1.047 88 K CA 1.902 57.943 56.287 -0.410 0.000 0.942 88 K CB -0.689 31.403 32.500 -0.679 0.000 0.739 88 K HN 0.614 nan 8.250 nan 0.000 0.457 89 T N -2.174 112.280 114.554 -0.166 0.000 3.057 89 T HA 0.126 4.502 4.350 0.043 0.000 0.254 89 T C 0.763 175.429 174.700 -0.057 0.000 1.094 89 T CA -0.161 61.884 62.100 -0.092 0.000 1.088 89 T CB 0.050 68.873 68.868 -0.074 0.000 0.934 89 T HN 0.272 nan 8.240 nan 0.000 0.497 90 M N 2.002 121.559 119.600 -0.071 0.000 2.210 90 M HA 0.367 4.873 4.480 0.043 0.000 0.235 90 M C 0.526 176.767 176.300 -0.098 0.000 0.974 90 M CA -0.715 54.555 55.300 -0.049 0.000 1.043 90 M CB 1.318 33.926 32.600 0.013 0.000 2.331 90 M HN 0.152 nan 8.290 nan 0.000 0.452 91 R N 2.006 122.421 120.500 -0.142 0.000 2.193 91 R HA 0.027 4.393 4.340 0.043 0.000 0.229 91 R C 1.254 177.362 176.300 -0.320 0.000 1.110 91 R CA 1.601 57.573 56.100 -0.213 0.000 0.988 91 R CB -0.556 29.618 30.300 -0.210 0.000 0.871 91 R HN 0.626 nan 8.270 nan 0.000 0.458 92 A N 1.671 124.313 122.820 -0.298 0.000 2.125 92 A HA -0.133 4.212 4.320 0.043 0.000 0.219 92 A C 2.131 179.425 177.584 -0.484 0.000 1.156 92 A CA 1.318 53.074 52.037 -0.469 0.000 0.671 92 A CB -0.572 18.340 19.000 -0.147 0.000 0.794 92 A HN 0.586 nan 8.150 nan 0.000 0.459 93 S N -0.238 115.295 115.700 -0.279 0.000 2.500 93 S HA -0.128 4.368 4.470 0.043 0.000 0.239 93 S C 1.568 175.919 174.600 -0.415 0.000 0.989 93 S CA 1.014 59.040 58.200 -0.290 0.000 0.951 93 S CB -0.583 62.617 63.200 0.001 0.000 0.759 93 S HN 0.473 nan 8.310 nan 0.000 0.523 94 I N 0.951 121.259 120.570 -0.436 0.000 2.567 94 I HA -0.020 4.175 4.170 0.043 0.000 0.257 94 I C 1.482 177.433 176.117 -0.276 0.000 1.184 94 I CA 0.622 61.702 61.300 -0.366 0.000 1.451 94 I CB -0.600 37.093 38.000 -0.511 0.000 1.089 94 I HN 0.341 nan 8.210 nan 0.000 0.441 95 W N 0.568 121.555 121.300 -0.522 0.000 2.848 95 W HA 0.088 4.771 4.660 0.038 0.000 0.241 95 W C 2.283 178.581 176.519 -0.368 0.000 1.289 95 W CA 0.707 57.783 57.345 -0.449 0.000 1.396 95 W CB -1.143 27.988 29.460 -0.549 0.000 1.138 95 W HN 0.313 nan 8.180 nan 0.000 0.677 96 A N -0.494 122.227 122.820 -0.165 0.000 1.975 96 A HA -0.056 4.290 4.320 0.043 0.000 0.215 96 A C 1.939 179.633 177.584 0.183 0.000 1.170 96 A CA 0.670 52.808 52.037 0.169 0.000 0.656 96 A CB -0.614 18.536 19.000 0.251 0.000 0.821 96 A HN 0.107 nan 8.150 nan 0.000 0.449 97 L N 0.478 121.772 121.223 0.118 0.000 1.978 97 L HA -0.152 4.214 4.340 0.043 0.000 0.218 97 L C 2.441 179.402 176.870 0.151 0.000 1.075 97 L CA 2.531 57.449 54.840 0.131 0.000 0.767 97 L CB -1.163 40.951 42.059 0.092 0.000 0.890 97 L HN 0.328 nan 8.230 nan 0.000 0.434 98 G N -1.011 107.885 108.800 0.159 0.000 2.480 98 G HA2 -0.230 3.756 3.960 0.043 0.000 0.216 98 G HA3 -0.230 3.756 3.960 0.043 0.000 0.216 98 G C -0.594 174.388 174.900 0.138 0.000 1.200 98 G CA 0.989 46.174 45.100 0.141 0.000 0.782 98 G HN 0.389 nan 8.290 nan 0.000 0.554 99 P HA -0.068 nan 4.420 nan 0.000 0.215 99 P C 2.129 179.565 177.300 0.227 0.000 1.157 99 P CA 0.783 63.990 63.100 0.178 0.000 0.868 99 P CB -0.122 31.714 31.700 0.227 0.000 0.788 100 L N -1.051 120.348 121.223 0.295 0.000 1.994 100 L HA -0.155 4.211 4.340 0.043 0.000 0.208 100 L C 2.497 179.542 176.870 0.291 0.000 1.071 100 L CA 1.457 56.543 54.840 0.410 0.000 0.745 100 L CB -1.272 41.000 42.059 0.354 0.000 0.892 100 L HN -0.092 nan 8.230 nan 0.000 0.431 101 V N -0.093 119.920 119.914 0.165 0.000 2.407 101 V HA -0.244 3.901 4.120 0.043 0.000 0.248 101 V C 2.566 178.688 176.094 0.046 0.000 1.055 101 V CA 1.812 64.163 62.300 0.085 0.000 1.049 101 V CB -0.090 31.771 31.823 0.063 0.000 0.662 101 V HN 0.435 nan 8.190 nan 0.000 0.455 102 A N -0.101 122.748 122.820 0.047 0.000 1.930 102 A HA -0.189 4.157 4.320 0.043 0.000 0.217 102 A C 2.437 179.980 177.584 -0.069 0.000 1.175 102 A CA 1.937 53.971 52.037 -0.005 0.000 0.627 102 A CB -0.517 18.486 19.000 0.005 0.000 0.815 102 A HN 0.587 nan 8.150 nan 0.000 0.443 103 R N -2.317 118.117 120.500 -0.111 0.000 2.156 103 R HA 0.144 4.510 4.340 0.043 0.000 0.207 103 R C 0.616 176.576 176.300 -0.567 0.000 1.040 103 R CA 0.792 56.664 56.100 -0.380 0.000 1.013 103 R CB 0.027 29.993 30.300 -0.557 0.000 0.931 103 R HN 0.473 nan 8.270 nan 0.000 0.465 104 F N -0.818 119.107 119.950 -0.042 0.000 2.682 104 F HA 0.398 4.950 4.527 0.042 0.000 0.308 104 F C 1.287 176.952 175.800 -0.225 0.000 1.093 104 F CA 0.318 58.226 58.000 -0.152 0.000 1.244 104 F CB 1.382 40.206 39.000 -0.293 0.000 1.052 104 F HN 0.232 nan 8.300 nan 0.000 0.573 105 G N 1.180 109.969 108.800 -0.018 0.000 2.168 105 G HA2 -0.275 3.710 3.960 0.043 0.000 0.263 105 G HA3 -0.275 3.710 3.960 0.043 0.000 0.263 105 G C 0.065 174.924 174.900 -0.067 0.000 0.977 105 G CA 0.594 45.666 45.100 -0.046 0.000 0.659 105 G HN 0.541 nan 8.290 nan 0.000 0.533 106 Q N -1.882 117.860 119.800 -0.097 0.000 2.522 106 Q HA 0.648 5.014 4.340 0.043 0.000 0.285 106 Q C -0.532 175.450 176.000 -0.030 0.000 0.982 106 Q CA -0.553 55.190 55.803 -0.099 0.000 0.805 106 Q CB 1.703 30.323 28.738 -0.196 0.000 1.457 106 Q HN 1.670 nan 8.270 nan 0.000 0.394 107 G N 1.776 110.607 108.800 0.052 0.000 2.503 107 G HA2 0.418 4.403 3.960 0.043 0.000 0.305 107 G HA3 0.418 4.403 3.960 0.043 0.000 0.305 107 G C -2.112 172.866 174.900 0.131 0.000 1.575 107 G CA -0.628 44.557 45.100 0.142 0.000 0.890 107 G HN 0.648 nan 8.290 nan 0.000 0.612 108 Q N 1.150 121.044 119.800 0.157 0.000 2.290 108 Q HA 0.641 5.006 4.340 0.043 0.000 0.269 108 Q C -1.467 174.671 176.000 0.229 0.000 1.016 108 Q CA -0.947 54.957 55.803 0.169 0.000 0.754 108 Q CB 2.081 30.897 28.738 0.130 0.000 1.247 108 Q HN 0.496 nan 8.270 nan 0.000 0.451 109 V N 1.473 121.513 119.914 0.211 0.000 2.555 109 V HA 0.400 4.546 4.120 0.043 0.000 0.302 109 V C 0.268 176.428 176.094 0.112 0.000 1.038 109 V CA -0.789 61.614 62.300 0.172 0.000 0.887 109 V CB 1.860 33.716 31.823 0.055 0.000 0.991 109 V HN 0.890 nan 8.190 nan 0.000 0.434 110 S N 4.248 119.938 115.700 -0.017 0.000 2.537 110 S HA 0.207 4.702 4.470 0.043 0.000 0.286 110 S C -0.085 174.400 174.600 -0.192 0.000 1.299 110 S CA -0.408 57.560 58.200 -0.386 0.000 1.067 110 S CB -0.017 62.944 63.200 -0.398 0.000 0.864 110 S HN 0.641 nan 8.310 nan 0.000 0.494 111 L N 7.922 129.040 121.223 -0.175 0.000 2.562 111 L HA 0.222 4.587 4.340 0.043 0.000 0.271 111 L C -1.694 175.115 176.870 -0.101 0.000 1.167 111 L CA -1.481 53.294 54.840 -0.108 0.000 0.917 111 L CB 0.464 42.480 42.059 -0.073 0.000 1.187 111 L HN 0.582 nan 8.230 nan 0.000 0.482 112 P HA 0.065 nan 4.420 nan 0.000 0.266 112 P C 0.001 177.256 177.300 -0.074 0.000 1.195 112 P CA -0.173 62.855 63.100 -0.120 0.000 0.768 112 P CB 0.785 32.389 31.700 -0.160 0.000 0.838 113 G N 1.639 110.407 108.800 -0.052 0.000 2.582 113 G HA2 0.470 4.456 3.960 0.043 0.000 0.232 113 G HA3 0.470 4.456 3.960 0.043 0.000 0.232 113 G C 0.203 175.084 174.900 -0.032 0.000 1.458 113 G CA -0.375 44.714 45.100 -0.019 0.000 1.062 113 G HN 0.624 nan 8.290 nan 0.000 0.566 114 G N -1.041 107.749 108.800 -0.018 0.000 2.569 114 G HA2 0.409 4.395 3.960 0.043 0.000 0.249 114 G HA3 0.409 4.395 3.960 0.043 0.000 0.249 114 G C -0.054 174.825 174.900 -0.034 0.000 1.216 114 G CA 0.485 45.572 45.100 -0.020 0.000 0.845 114 G HN 0.672 nan 8.290 nan 0.000 0.568 115 S N -0.498 115.176 115.700 -0.043 0.000 2.621 115 S HA 0.563 5.058 4.470 0.043 0.000 0.302 115 S C 1.490 176.051 174.600 -0.065 0.000 1.093 115 S CA 0.173 58.333 58.200 -0.067 0.000 1.017 115 S CB 1.526 64.663 63.200 -0.105 0.000 1.077 115 S HN 1.099 nan 8.310 nan 0.000 0.517 116 A N 2.474 125.250 122.820 -0.074 0.000 1.940 116 A HA -0.030 4.315 4.320 0.043 0.000 0.219 116 A C 1.729 179.254 177.584 -0.098 0.000 1.176 116 A CA 1.874 53.868 52.037 -0.072 0.000 0.631 116 A CB -0.951 17.998 19.000 -0.084 0.000 0.814 116 A HN 0.998 nan 8.150 nan 0.000 0.446 117 I N -4.832 115.641 120.570 -0.163 0.000 3.883 117 I HA 0.553 4.748 4.170 0.043 0.000 0.326 117 I C 0.667 176.722 176.117 -0.105 0.000 1.283 117 I CA 0.279 61.468 61.300 -0.185 0.000 1.161 117 I CB -0.056 37.724 38.000 -0.366 0.000 1.012 117 I HN 0.259 nan 8.210 nan 0.000 0.421 118 G N 0.129 108.896 108.800 -0.054 0.000 2.325 118 G HA2 0.412 4.397 3.960 0.043 0.000 0.297 118 G HA3 0.412 4.397 3.960 0.043 0.000 0.297 118 G C 0.047 174.965 174.900 0.030 0.000 1.448 118 G CA -0.260 44.866 45.100 0.044 0.000 0.838 118 G HN 0.010 nan 8.290 nan 0.000 0.579 119 A N -0.227 122.618 122.820 0.042 0.000 1.969 119 A HA 0.252 4.597 4.320 0.043 0.000 0.218 119 A C 1.553 179.153 177.584 0.027 0.000 1.169 119 A CA 1.715 53.765 52.037 0.022 0.000 0.635 119 A CB -0.540 18.470 19.000 0.018 0.000 0.810 119 A HN 1.380 nan 8.150 nan 0.000 0.445 120 R N -0.894 119.648 120.500 0.070 0.000 3.092 120 R HA -0.126 4.239 4.340 0.043 0.000 0.245 120 R C -2.284 174.032 176.300 0.026 0.000 0.881 120 R CA 0.387 56.537 56.100 0.083 0.000 0.614 120 R CB -1.872 28.478 30.300 0.085 0.000 1.128 120 R HN 0.550 nan 8.270 nan 0.000 0.483 121 P HA 0.017 nan 4.420 nan 0.000 0.271 121 P C 0.161 177.474 177.300 0.022 0.000 1.244 121 P CA -0.226 62.880 63.100 0.010 0.000 0.793 121 P CB 0.957 32.666 31.700 0.015 0.000 0.984 122 V N 0.849 120.770 119.914 0.011 0.000 3.070 122 V HA -0.006 4.139 4.120 0.043 0.000 0.345 122 V C 1.593 177.770 176.094 0.137 0.000 1.403 122 V CA 0.134 62.457 62.300 0.038 0.000 1.155 122 V CB -0.549 31.168 31.823 -0.178 0.000 1.140 122 V HN 0.612 nan 8.190 nan 0.000 0.505 123 D N 0.307 120.770 120.400 0.105 0.000 2.158 123 D HA -0.261 4.405 4.640 0.043 0.000 0.197 123 D C 1.773 178.175 176.300 0.170 0.000 0.995 123 D CA 1.478 55.544 54.000 0.110 0.000 0.846 123 D CB -0.073 40.758 40.800 0.052 0.000 0.941 123 D HN 0.507 nan 8.370 nan 0.000 0.456 124 L N -0.109 121.211 121.223 0.161 0.000 2.141 124 L HA -0.117 4.249 4.340 0.043 0.000 0.209 124 L C 2.830 179.820 176.870 0.200 0.000 1.094 124 L CA 0.901 55.840 54.840 0.164 0.000 0.763 124 L CB -0.618 41.480 42.059 0.064 0.000 0.908 124 L HN 0.129 nan 8.230 nan 0.000 0.437 125 H N 0.033 119.174 119.070 0.118 0.000 2.293 125 H HA -0.121 4.461 4.556 0.042 0.000 0.300 125 H C 2.460 177.851 175.328 0.105 0.000 1.082 125 H CA 1.792 57.905 56.048 0.108 0.000 1.308 125 H CB 0.069 29.873 29.762 0.071 0.000 1.375 125 H HN 0.313 nan 8.280 nan 0.000 0.495 126 I N 0.350 121.070 120.570 0.249 0.000 2.226 126 I HA -0.293 3.903 4.170 0.043 0.000 0.245 126 I C 2.539 178.750 176.117 0.157 0.000 1.100 126 I CA 1.099 62.498 61.300 0.165 0.000 1.374 126 I CB -0.366 37.715 38.000 0.135 0.000 1.057 126 I HN 0.072 nan 8.210 nan 0.000 0.413 127 F N 1.919 121.903 119.950 0.058 0.000 2.069 127 F HA -0.182 4.370 4.527 0.042 0.000 0.298 127 F C 2.351 178.172 175.800 0.034 0.000 1.113 127 F CA 1.840 59.862 58.000 0.037 0.000 1.214 127 F CB -1.005 38.011 39.000 0.027 0.000 0.978 127 F HN 0.004 nan 8.300 nan 0.000 0.474 128 G N 0.796 109.596 108.800 0.000 0.000 2.446 128 G HA2 -0.248 3.738 3.960 0.043 0.000 0.217 128 G HA3 -0.248 3.738 3.960 0.043 0.000 0.217 128 G C 1.818 176.646 174.900 -0.120 0.000 1.168 128 G CA 1.168 46.203 45.100 -0.108 0.000 0.771 128 G HN 0.455 nan 8.290 nan 0.000 0.551 129 L N -0.014 121.191 121.223 -0.031 0.000 2.131 129 L HA -0.061 4.304 4.340 0.043 0.000 0.210 129 L C 2.869 179.702 176.870 -0.060 0.000 1.092 129 L CA 1.207 56.037 54.840 -0.017 0.000 0.759 129 L CB -0.392 41.691 42.059 0.039 0.000 0.903 129 L HN 0.326 nan 8.230 nan 0.000 0.435 130 E N -0.227 119.915 120.200 -0.097 0.000 2.107 130 E HA -0.164 4.212 4.350 0.043 0.000 0.191 130 E C 2.107 178.604 176.600 -0.172 0.000 0.982 130 E CA 0.613 56.947 56.400 -0.109 0.000 0.809 130 E CB 0.142 29.788 29.700 -0.090 0.000 0.756 130 E HN 0.258 nan 8.360 nan 0.000 0.459 131 K N 0.504 120.723 120.400 -0.301 0.000 2.209 131 K HA -0.077 4.268 4.320 0.043 0.000 0.204 131 K C 1.836 178.346 176.600 -0.149 0.000 1.048 131 K CA 0.718 56.833 56.287 -0.287 0.000 0.940 131 K CB -0.021 32.222 32.500 -0.428 0.000 0.729 131 K HN 0.240 nan 8.250 nan 0.000 0.451 132 L N -0.418 120.736 121.223 -0.115 0.000 2.591 132 L HA 0.049 4.414 4.340 0.043 0.000 0.228 132 L C 1.194 178.033 176.870 -0.052 0.000 1.133 132 L CA 0.498 55.298 54.840 -0.067 0.000 0.880 132 L CB -0.042 41.988 42.059 -0.049 0.000 1.033 132 L HN 0.379 nan 8.230 nan 0.000 0.450 133 G N -0.484 108.282 108.800 -0.057 0.000 2.201 133 G HA2 -0.211 3.774 3.960 0.043 0.000 0.212 133 G HA3 -0.211 3.774 3.960 0.043 0.000 0.212 133 G C 0.394 175.276 174.900 -0.030 0.000 0.994 133 G CA -0.151 44.925 45.100 -0.040 0.000 0.644 133 G HN 0.421 nan 8.290 nan 0.000 0.508 134 A N 0.258 123.062 122.820 -0.027 0.000 2.407 134 A HA 0.623 4.968 4.320 0.043 0.000 0.248 134 A C 0.335 177.915 177.584 -0.008 0.000 1.082 134 A CA 0.683 52.713 52.037 -0.011 0.000 0.785 134 A CB 0.511 19.511 19.000 0.001 0.000 1.020 134 A HN 0.596 nan 8.150 nan 0.000 0.489 135 E N 1.733 121.934 120.200 0.001 0.000 2.156 135 E HA 0.489 4.865 4.350 0.043 0.000 0.279 135 E C -1.123 175.488 176.600 0.019 0.000 0.965 135 E CA -0.517 55.887 56.400 0.007 0.000 0.789 135 E CB 0.596 30.299 29.700 0.005 0.000 1.098 135 E HN 0.510 nan 8.360 nan 0.000 0.397 136 I N 4.116 124.701 120.570 0.025 0.000 2.465 136 I HA 0.407 4.602 4.170 0.043 0.000 0.291 136 I C -0.215 175.925 176.117 0.039 0.000 1.014 136 I CA -0.760 60.563 61.300 0.037 0.000 1.093 136 I CB 1.504 39.531 38.000 0.046 0.000 1.267 136 I HN 0.528 nan 8.210 nan 0.000 0.431 137 K N 4.753 125.180 120.400 0.044 0.000 2.477 137 K HA 0.618 4.964 4.320 0.043 0.000 0.255 137 K C -1.479 175.153 176.600 0.053 0.000 0.952 137 K CA -1.007 55.305 56.287 0.043 0.000 0.826 137 K CB 3.247 35.769 32.500 0.038 0.000 1.331 137 K HN 0.285 nan 8.250 nan 0.000 0.437 138 L N 2.340 123.592 121.223 0.049 0.000 2.316 138 L HA 0.299 4.665 4.340 0.043 0.000 0.280 138 L C -1.153 175.752 176.870 0.058 0.000 1.006 138 L CA 0.125 54.997 54.840 0.054 0.000 0.836 138 L CB 0.825 42.906 42.059 0.037 0.000 1.221 138 L HN 0.658 nan 8.230 nan 0.000 0.418 139 E N 3.421 123.672 120.200 0.086 0.000 2.260 139 E HA 0.405 4.781 4.350 0.043 0.000 0.266 139 E C -0.794 175.884 176.600 0.131 0.000 0.887 139 E CA -0.665 55.785 56.400 0.083 0.000 0.777 139 E CB 1.143 30.882 29.700 0.064 0.000 1.205 139 E HN 0.619 nan 8.360 nan 0.000 0.414 140 E N 1.541 121.798 120.200 0.095 0.000 2.637 140 E HA -0.286 4.090 4.350 0.043 0.000 0.265 140 E C 0.679 177.349 176.600 0.117 0.000 1.073 140 E CA 0.602 57.069 56.400 0.112 0.000 0.778 140 E CB -1.619 28.173 29.700 0.152 0.000 1.362 140 E HN 1.199 nan 8.360 nan 0.000 0.413 141 G N -1.110 107.709 108.800 0.032 0.000 2.179 141 G HA2 -0.363 3.622 3.960 0.043 0.000 0.260 141 G HA3 -0.363 3.622 3.960 0.043 0.000 0.260 141 G C -0.198 174.583 174.900 -0.198 0.000 0.977 141 G CA 0.647 45.694 45.100 -0.088 0.000 0.641 141 G HN 0.322 nan 8.290 nan 0.000 0.533 142 Y N -0.409 119.906 120.300 0.026 0.000 2.360 142 Y HA 0.555 5.130 4.550 0.042 0.000 0.337 142 Y C 0.605 176.522 175.900 0.028 0.000 1.039 142 Y CA -0.902 57.219 58.100 0.035 0.000 1.109 142 Y CB 2.094 40.576 38.460 0.038 0.000 1.201 142 Y HN 0.047 nan 8.280 nan 0.000 0.458 143 V N 4.939 124.937 119.914 0.140 0.000 2.385 143 V HA 0.248 4.394 4.120 0.043 0.000 0.269 143 V C -0.398 175.771 176.094 0.126 0.000 1.043 143 V CA -0.926 61.432 62.300 0.097 0.000 0.906 143 V CB 0.489 32.343 31.823 0.052 0.000 0.995 143 V HN 0.624 nan 8.190 nan 0.000 0.467 144 K N 4.390 124.853 120.400 0.103 0.000 2.367 144 K HA 0.743 5.089 4.320 0.043 0.000 0.263 144 K C -0.312 176.326 176.600 0.064 0.000 1.000 144 K CA -0.263 56.077 56.287 0.089 0.000 0.891 144 K CB 2.066 34.611 32.500 0.075 0.000 1.117 144 K HN 0.736 nan 8.250 nan 0.000 0.443 145 A N 1.989 124.847 122.820 0.063 0.000 2.312 145 A HA 0.721 5.066 4.320 0.043 0.000 0.328 145 A C -0.367 177.234 177.584 0.029 0.000 1.158 145 A CA -0.532 51.533 52.037 0.047 0.000 0.821 145 A CB 0.930 19.964 19.000 0.057 0.000 1.170 145 A HN 0.706 nan 8.150 nan 0.000 0.490 146 S N -0.132 115.578 115.700 0.016 0.000 2.550 146 S HA 0.734 5.230 4.470 0.043 0.000 0.270 146 S C -1.297 173.300 174.600 -0.006 0.000 1.145 146 S CA -0.480 57.719 58.200 -0.002 0.000 0.852 146 S CB 1.295 64.492 63.200 -0.006 0.000 1.119 146 S HN 2.092 nan 8.310 nan 0.000 0.465 147 V N 1.536 121.441 119.914 -0.015 0.000 2.924 147 V HA 0.532 4.677 4.120 0.043 0.000 0.300 147 V C -1.453 174.627 176.094 -0.023 0.000 1.227 147 V CA -0.687 61.602 62.300 -0.017 0.000 0.954 147 V CB 1.909 33.722 31.823 -0.017 0.000 1.055 147 V HN 1.117 nan 8.190 nan 0.000 0.429 148 N N 4.593 123.281 118.700 -0.020 0.000 2.420 148 N HA 0.566 5.331 4.740 0.043 0.000 0.249 148 N C 0.304 175.801 175.510 -0.022 0.000 1.033 148 N CA 0.800 53.837 53.050 -0.020 0.000 0.944 148 N CB 0.993 39.471 38.487 -0.015 0.000 1.113 148 N HN 1.438 nan 8.380 nan 0.000 0.502 149 G N 2.852 111.636 108.800 -0.026 0.000 2.499 149 G HA2 -0.248 3.737 3.960 0.043 0.000 0.232 149 G HA3 -0.248 3.737 3.960 0.043 0.000 0.232 149 G C -0.662 174.217 174.900 -0.035 0.000 1.251 149 G CA -0.687 44.395 45.100 -0.029 0.000 0.917 149 G HN 0.646 nan 8.290 nan 0.000 0.580 150 R N -0.622 119.857 120.500 -0.035 0.000 2.532 150 R HA 0.657 5.022 4.340 0.043 0.000 0.272 150 R C 0.738 177.018 176.300 -0.033 0.000 1.032 150 R CA -0.704 55.372 56.100 -0.039 0.000 1.089 150 R CB 0.615 30.890 30.300 -0.042 0.000 1.098 150 R HN 0.465 nan 8.270 nan 0.000 0.526 151 L N 1.388 122.591 121.223 -0.033 0.000 2.475 151 L HA 0.257 4.622 4.340 0.043 0.000 0.253 151 L C 0.225 177.076 176.870 -0.031 0.000 1.198 151 L CA 0.066 54.888 54.840 -0.030 0.000 0.814 151 L CB 0.367 42.410 42.059 -0.027 0.000 1.134 151 L HN 0.383 nan 8.230 nan 0.000 0.478 152 K N 0.239 120.620 120.400 -0.031 0.000 2.397 152 K HA 0.395 4.741 4.320 0.043 0.000 0.253 152 K C -0.211 176.371 176.600 -0.030 0.000 0.932 152 K CA -0.710 55.560 56.287 -0.029 0.000 0.795 152 K CB 1.876 34.361 32.500 -0.026 0.000 1.159 152 K HN 0.717 nan 8.250 nan 0.000 0.424 153 G N 1.045 109.828 108.800 -0.028 0.000 2.562 153 G HA2 0.367 4.353 3.960 0.043 0.000 0.233 153 G HA3 0.367 4.353 3.960 0.043 0.000 0.233 153 G C -0.627 174.261 174.900 -0.020 0.000 1.266 153 G CA -0.082 45.001 45.100 -0.028 0.000 0.852 153 G HN 0.626 nan 8.290 nan 0.000 0.581 154 A N 0.891 123.703 122.820 -0.013 0.000 2.606 154 A HA 0.620 4.965 4.320 0.043 0.000 0.293 154 A C -0.949 176.673 177.584 0.062 0.000 1.082 154 A CA -0.701 51.344 52.037 0.013 0.000 0.685 154 A CB 1.011 20.001 19.000 -0.017 0.000 1.284 154 A HN 0.992 nan 8.150 nan 0.000 0.408 155 H N 1.096 120.156 119.070 -0.018 0.000 2.652 155 H HA 0.628 5.209 4.556 0.042 0.000 0.298 155 H C -0.864 174.469 175.328 0.008 0.000 1.076 155 H CA -0.354 55.692 56.048 -0.003 0.000 1.360 155 H CB 0.230 29.994 29.762 0.003 0.000 1.421 155 H HN 0.492 nan 8.280 nan 0.000 0.464 156 I N 6.068 126.805 120.570 0.279 0.000 2.433 156 I HA 0.205 4.401 4.170 0.043 0.000 0.292 156 I C -0.676 175.559 176.117 0.197 0.000 1.001 156 I CA -1.049 60.358 61.300 0.179 0.000 1.119 156 I CB 1.970 40.035 38.000 0.108 0.000 1.289 156 I HN 0.303 nan 8.210 nan 0.000 0.438 157 V N 6.327 126.339 119.914 0.164 0.000 2.384 157 V HA 0.374 4.520 4.120 0.043 0.000 0.287 157 V C 0.293 176.456 176.094 0.114 0.000 1.020 157 V CA -0.652 61.711 62.300 0.106 0.000 0.850 157 V CB 1.499 33.336 31.823 0.025 0.000 0.987 157 V HN 0.601 nan 8.190 nan 0.000 0.436 158 M N 2.974 122.621 119.600 0.078 0.000 2.162 158 M HA 0.265 4.770 4.480 0.043 0.000 0.356 158 M C 0.812 177.097 176.300 -0.026 0.000 1.303 158 M CA -0.140 55.184 55.300 0.039 0.000 1.116 158 M CB 0.616 33.240 32.600 0.039 0.000 1.632 158 M HN 0.535 nan 8.290 nan 0.000 0.469 159 D N 2.419 122.766 120.400 -0.088 0.000 2.219 159 D HA -0.001 4.665 4.640 0.043 0.000 0.205 159 D C 0.194 176.452 176.300 -0.070 0.000 0.970 159 D CA 1.363 55.300 54.000 -0.104 0.000 0.851 159 D CB 0.489 41.189 40.800 -0.168 0.000 0.943 159 D HN 0.507 nan 8.370 nan 0.000 0.488 160 K N -0.604 119.763 120.400 -0.055 0.000 2.482 160 K HA 0.424 4.770 4.320 0.043 0.000 0.257 160 K C -1.131 175.451 176.600 -0.031 0.000 0.969 160 K CA -0.824 55.434 56.287 -0.047 0.000 0.842 160 K CB 3.397 35.865 32.500 -0.054 0.000 1.359 160 K HN -0.347 nan 8.250 nan 0.000 0.441 161 V N 1.947 121.842 119.914 -0.032 0.000 2.405 161 V HA 0.131 4.276 4.120 0.043 0.000 0.264 161 V C -0.123 175.958 176.094 -0.021 0.000 1.048 161 V CA 0.051 62.340 62.300 -0.018 0.000 0.966 161 V CB 0.853 32.667 31.823 -0.015 0.000 1.015 161 V HN 0.678 nan 8.190 nan 0.000 0.477 162 S N 4.351 120.047 115.700 -0.007 0.000 2.659 162 S HA 0.394 4.889 4.470 0.043 0.000 0.312 162 S C 0.651 175.273 174.600 0.036 0.000 1.114 162 S CA -0.626 57.577 58.200 0.004 0.000 1.063 162 S CB 1.806 64.999 63.200 -0.011 0.000 0.996 162 S HN 0.337 nan 8.310 nan 0.000 0.478 163 V N 5.559 125.520 119.914 0.079 0.000 2.255 163 V HA -0.061 4.084 4.120 0.043 0.000 0.247 163 V C 2.674 178.901 176.094 0.222 0.000 1.051 163 V CA 2.647 65.026 62.300 0.132 0.000 1.018 163 V CB -1.254 30.671 31.823 0.169 0.000 0.641 163 V HN 0.952 nan 8.190 nan 0.000 0.445 164 G N -0.593 108.388 108.800 0.302 0.000 2.446 164 G HA2 -0.230 3.756 3.960 0.043 0.000 0.217 164 G HA3 -0.230 3.756 3.960 0.043 0.000 0.217 164 G C 1.775 176.740 174.900 0.107 0.000 1.168 164 G CA 1.129 46.535 45.100 0.511 0.000 0.771 164 G HN 0.627 nan 8.290 nan 0.000 0.551 165 A N 0.171 122.751 122.820 -0.400 0.000 1.933 165 A HA -0.013 4.333 4.320 0.043 0.000 0.218 165 A C 2.532 180.009 177.584 -0.177 0.000 1.175 165 A CA 2.461 54.119 52.037 -0.632 0.000 0.628 165 A CB -0.957 17.837 19.000 -0.343 0.000 0.814 165 A HN 0.308 nan 8.150 nan 0.000 0.444 166 T N -0.309 114.213 114.554 -0.053 0.000 2.684 166 T HA -0.135 4.240 4.350 0.043 0.000 0.267 166 T C 1.877 176.571 174.700 -0.011 0.000 1.036 166 T CA 1.602 63.696 62.100 -0.011 0.000 1.148 166 T CB -0.474 68.398 68.868 0.007 0.000 0.863 166 T HN 0.155 nan 8.240 nan 0.000 0.436 167 V N 1.368 121.289 119.914 0.011 0.000 2.287 167 V HA -0.215 3.931 4.120 0.043 0.000 0.248 167 V C 2.811 178.876 176.094 -0.049 0.000 1.053 167 V CA 2.111 64.354 62.300 -0.094 0.000 1.027 167 V CB -1.129 30.493 31.823 -0.334 0.000 0.646 167 V HN 0.521 nan 8.190 nan 0.000 0.447 168 T N 0.251 114.866 114.554 0.103 0.000 2.652 168 T HA -0.177 4.198 4.350 0.043 0.000 0.267 168 T C 1.774 176.519 174.700 0.075 0.000 1.039 168 T CA 2.111 64.316 62.100 0.174 0.000 1.153 168 T CB -0.301 68.762 68.868 0.325 0.000 0.863 168 T HN 0.350 nan 8.240 nan 0.000 0.428 169 I N 0.677 121.266 120.570 0.032 0.000 2.202 169 I HA -0.161 4.034 4.170 0.043 0.000 0.242 169 I C 2.599 178.715 176.117 -0.001 0.000 1.091 169 I CA 1.292 62.600 61.300 0.014 0.000 1.368 169 I CB -0.406 37.598 38.000 0.006 0.000 1.058 169 I HN 0.268 nan 8.210 nan 0.000 0.410 170 M N 0.385 119.977 119.600 -0.013 0.000 2.108 170 M HA -0.217 4.289 4.480 0.043 0.000 0.261 170 M C 2.408 178.691 176.300 -0.029 0.000 1.066 170 M CA 1.887 57.172 55.300 -0.026 0.000 1.107 170 M CB -0.018 32.560 32.600 -0.037 0.000 1.356 170 M HN 0.117 nan 8.290 nan 0.000 0.406 171 S N 0.753 116.438 115.700 -0.025 0.000 2.348 171 S HA -0.061 4.435 4.470 0.043 0.000 0.221 171 S C 2.034 176.636 174.600 0.002 0.000 1.033 171 S CA 1.358 59.550 58.200 -0.014 0.000 1.010 171 S CB -0.544 62.653 63.200 -0.006 0.000 0.891 171 S HN 0.699 nan 8.310 nan 0.000 0.442 172 A N 1.488 124.319 122.820 0.018 0.000 1.933 172 A HA 0.147 4.492 4.320 0.043 0.000 0.218 172 A C 2.313 179.892 177.584 -0.008 0.000 1.175 172 A CA 1.612 53.659 52.037 0.017 0.000 0.628 172 A CB -1.005 18.014 19.000 0.032 0.000 0.814 172 A HN 0.510 nan 8.150 nan 0.000 0.444 173 A N 0.006 122.817 122.820 -0.015 0.000 2.019 173 A HA -0.108 4.237 4.320 0.043 0.000 0.219 173 A C 2.346 179.909 177.584 -0.036 0.000 1.164 173 A CA 2.350 54.371 52.037 -0.027 0.000 0.644 173 A CB -1.453 17.530 19.000 -0.028 0.000 0.805 173 A HN 0.830 nan 8.150 nan 0.000 0.449 174 T N -1.991 112.539 114.554 -0.040 0.000 2.849 174 T HA -0.059 4.317 4.350 0.043 0.000 0.270 174 T C 1.319 175.985 174.700 -0.055 0.000 1.066 174 T CA 1.559 63.627 62.100 -0.053 0.000 1.130 174 T CB -0.356 68.473 68.868 -0.065 0.000 0.864 174 T HN 0.344 nan 8.240 nan 0.000 0.481 175 L N 0.285 121.477 121.223 -0.051 0.000 2.728 175 L HA 0.535 4.900 4.340 0.043 0.000 0.238 175 L C 1.385 178.224 176.870 -0.052 0.000 1.143 175 L CA -0.534 54.270 54.840 -0.058 0.000 0.937 175 L CB -0.205 41.812 42.059 -0.071 0.000 1.225 175 L HN 0.286 nan 8.230 nan 0.000 0.507 176 A N 0.615 123.409 122.820 -0.043 0.000 2.346 176 A HA 0.145 4.490 4.320 0.043 0.000 0.252 176 A C 0.254 177.815 177.584 -0.039 0.000 1.089 176 A CA -0.176 51.837 52.037 -0.039 0.000 0.797 176 A CB 0.280 19.259 19.000 -0.034 0.000 1.047 176 A HN 0.292 nan 8.150 nan 0.000 0.494 177 E N 0.451 120.630 120.200 -0.035 0.000 2.052 177 E HA 0.461 4.836 4.350 0.043 0.000 0.283 177 E C 0.493 177.075 176.600 -0.030 0.000 1.071 177 E CA 0.577 56.958 56.400 -0.032 0.000 0.851 177 E CB -0.121 29.562 29.700 -0.029 0.000 1.066 177 E HN 1.450 nan 8.360 nan 0.000 0.396 178 G N 2.865 111.646 108.800 -0.031 0.000 2.466 178 G HA2 -0.172 3.813 3.960 0.043 0.000 0.316 178 G HA3 -0.172 3.813 3.960 0.043 0.000 0.316 178 G C -0.527 174.353 174.900 -0.034 0.000 1.270 178 G CA -0.486 44.596 45.100 -0.029 0.000 0.982 178 G HN 0.498 nan 8.290 nan 0.000 0.506 179 T N 0.918 115.451 114.554 -0.035 0.000 2.875 179 T HA 0.705 5.081 4.350 0.043 0.000 0.284 179 T C -0.001 174.670 174.700 -0.048 0.000 0.995 179 T CA 0.320 62.393 62.100 -0.045 0.000 1.060 179 T CB 1.534 70.371 68.868 -0.051 0.000 0.967 179 T HN 0.735 nan 8.240 nan 0.000 0.476 180 T N 3.060 117.581 114.554 -0.055 0.000 2.841 180 T HA 0.635 5.010 4.350 0.043 0.000 0.283 180 T C -0.555 174.099 174.700 -0.077 0.000 1.000 180 T CA -0.502 61.567 62.100 -0.051 0.000 0.977 180 T CB 0.673 69.520 68.868 -0.036 0.000 0.979 180 T HN 0.405 nan 8.240 nan 0.000 0.446 181 I N 3.595 124.109 120.570 -0.093 0.000 2.447 181 I HA 0.448 4.643 4.170 0.043 0.000 0.287 181 I C -0.638 175.473 176.117 -0.010 0.000 1.023 181 I CA -0.765 60.452 61.300 -0.139 0.000 1.083 181 I CB 1.832 39.563 38.000 -0.449 0.000 1.245 181 I HN 0.474 nan 8.210 nan 0.000 0.434 182 I N 5.797 126.371 120.570 0.007 0.000 2.306 182 I HA 0.243 4.438 4.170 0.043 0.000 0.288 182 I C 0.203 176.362 176.117 0.069 0.000 1.036 182 I CA -0.470 60.862 61.300 0.054 0.000 1.221 182 I CB 0.708 38.724 38.000 0.027 0.000 1.385 182 I HN 0.466 nan 8.210 nan 0.000 0.472 183 E N 5.191 125.466 120.200 0.126 0.000 2.283 183 E HA 0.098 4.474 4.350 0.043 0.000 0.278 183 E C 0.156 176.799 176.600 0.072 0.000 1.027 183 E CA -0.186 56.284 56.400 0.116 0.000 0.843 183 E CB 1.098 30.900 29.700 0.170 0.000 1.062 183 E HN 0.560 nan 8.360 nan 0.000 0.401 184 N N 1.042 119.771 118.700 0.049 0.000 2.780 184 N HA -0.208 4.558 4.740 0.043 0.000 0.248 184 N C -1.161 174.365 175.510 0.027 0.000 1.102 184 N CA 0.793 53.862 53.050 0.031 0.000 0.697 184 N CB -0.971 37.529 38.487 0.023 0.000 1.028 184 N HN 0.536 nan 8.380 nan 0.000 0.554 185 A N -0.056 122.781 122.820 0.029 0.000 2.366 185 A HA 0.697 5.042 4.320 0.043 0.000 0.249 185 A C 0.960 178.557 177.584 0.022 0.000 1.084 185 A CA 0.180 52.231 52.037 0.023 0.000 0.794 185 A CB 0.275 19.286 19.000 0.019 0.000 1.034 185 A HN 0.907 nan 8.150 nan 0.000 0.491 186 A N 0.632 123.466 122.820 0.022 0.000 2.425 186 A HA 0.497 4.842 4.320 0.043 0.000 0.249 186 A C 0.682 178.288 177.584 0.036 0.000 1.084 186 A CA -0.260 51.795 52.037 0.031 0.000 0.781 186 A CB 0.039 19.060 19.000 0.035 0.000 1.019 186 A HN 0.756 nan 8.150 nan 0.000 0.490 187 R N 0.532 121.068 120.500 0.060 0.000 2.468 187 R HA 0.189 4.555 4.340 0.043 0.000 0.280 187 R C -0.476 175.878 176.300 0.091 0.000 0.963 187 R CA -0.092 56.057 56.100 0.082 0.000 1.083 187 R CB 0.129 30.495 30.300 0.110 0.000 1.200 187 R HN 0.769 nan 8.270 nan 0.000 0.541 188 E N 0.960 121.174 120.200 0.023 0.000 2.442 188 E HA -0.014 4.361 4.350 0.043 0.000 0.262 188 E C -1.587 174.894 176.600 -0.199 0.000 1.004 188 E CA -1.316 54.998 56.400 -0.142 0.000 0.928 188 E CB 0.483 30.140 29.700 -0.072 0.000 0.937 188 E HN -0.085 nan 8.360 nan 0.000 0.446 189 P HA -0.197 nan 4.420 nan 0.000 0.217 189 P C 0.302 177.538 177.300 -0.107 0.000 1.151 189 P CA 1.287 64.259 63.100 -0.213 0.000 0.849 189 P CB 0.279 31.827 31.700 -0.253 0.000 0.787 190 E N -1.169 118.969 120.200 -0.102 0.000 2.204 190 E HA -0.117 4.258 4.350 0.043 0.000 0.194 190 E C 1.909 178.470 176.600 -0.064 0.000 0.989 190 E CA 0.731 57.094 56.400 -0.063 0.000 0.824 190 E CB -0.773 28.902 29.700 -0.042 0.000 0.756 190 E HN 0.213 nan 8.360 nan 0.000 0.477 191 I N 0.094 120.629 120.570 -0.058 0.000 2.252 191 I HA -0.179 4.017 4.170 0.043 0.000 0.245 191 I C 2.069 178.160 176.117 -0.044 0.000 1.102 191 I CA 0.847 62.116 61.300 -0.051 0.000 1.385 191 I CB -0.901 37.083 38.000 -0.027 0.000 1.064 191 I HN 0.023 nan 8.210 nan 0.000 0.414 192 V N 0.993 120.889 119.914 -0.031 0.000 2.295 192 V HA -0.289 3.857 4.120 0.043 0.000 0.246 192 V C 2.280 178.378 176.094 0.007 0.000 1.049 192 V CA 2.128 64.422 62.300 -0.009 0.000 1.024 192 V CB -0.663 31.160 31.823 0.000 0.000 0.648 192 V HN 0.297 nan 8.190 nan 0.000 0.447 193 D N -0.191 120.218 120.400 0.015 0.000 2.117 193 D HA -0.140 4.526 4.640 0.043 0.000 0.197 193 D C 2.274 178.542 176.300 -0.054 0.000 0.987 193 D CA 1.760 55.801 54.000 0.069 0.000 0.829 193 D CB -0.146 40.706 40.800 0.087 0.000 0.961 193 D HN 0.393 nan 8.370 nan 0.000 0.460 194 T N -0.367 114.138 114.554 -0.082 0.000 2.821 194 T HA -0.077 4.299 4.350 0.043 0.000 0.267 194 T C 1.890 176.550 174.700 -0.067 0.000 1.046 194 T CA 1.244 63.284 62.100 -0.099 0.000 1.139 194 T CB -0.326 68.458 68.868 -0.141 0.000 0.871 194 T HN 0.203 nan 8.240 nan 0.000 0.454 195 A N 2.488 125.266 122.820 -0.070 0.000 1.898 195 A HA -0.126 4.220 4.320 0.043 0.000 0.216 195 A C 2.246 179.774 177.584 -0.092 0.000 1.181 195 A CA 1.350 53.346 52.037 -0.069 0.000 0.620 195 A CB -0.548 18.424 19.000 -0.046 0.000 0.819 195 A HN 0.369 nan 8.150 nan 0.000 0.442 196 N N -0.946 117.706 118.700 -0.080 0.000 2.244 196 N HA -0.114 4.651 4.740 0.043 0.000 0.183 196 N C 1.369 176.725 175.510 -0.256 0.000 1.016 196 N CA 1.360 54.373 53.050 -0.062 0.000 0.866 196 N CB -0.571 37.990 38.487 0.123 0.000 0.980 196 N HN 0.564 nan 8.380 nan 0.000 0.430 197 F N 1.763 121.276 119.950 -0.729 0.000 2.113 197 F HA -0.020 4.535 4.527 0.047 0.000 0.297 197 F C 1.966 177.541 175.800 -0.375 0.000 1.103 197 F CA 1.015 58.468 58.000 -0.912 0.000 1.248 197 F CB -0.498 37.980 39.000 -0.869 0.000 0.999 197 F HN -0.100 nan 8.300 nan 0.000 0.475 198 L N -0.440 120.498 121.223 -0.475 0.000 2.083 198 L HA -0.210 4.155 4.340 0.043 0.000 0.209 198 L C 2.414 179.078 176.870 -0.343 0.000 1.083 198 L CA 0.987 55.554 54.840 -0.454 0.000 0.752 198 L CB -0.887 41.051 42.059 -0.201 0.000 0.899 198 L HN 0.032 nan 8.230 nan 0.000 0.433 199 V N 0.083 119.856 119.914 -0.235 0.000 2.407 199 V HA -0.280 3.866 4.120 0.043 0.000 0.248 199 V C 2.699 178.702 176.094 -0.151 0.000 1.055 199 V CA 1.726 63.936 62.300 -0.150 0.000 1.049 199 V CB -0.789 30.984 31.823 -0.084 0.000 0.662 199 V HN 0.492 nan 8.190 nan 0.000 0.455 200 A N -0.507 122.200 122.820 -0.188 0.000 2.015 200 A HA -0.068 4.277 4.320 0.043 0.000 0.219 200 A C 2.065 179.540 177.584 -0.182 0.000 1.163 200 A CA 1.304 53.268 52.037 -0.121 0.000 0.646 200 A CB -0.400 18.585 19.000 -0.024 0.000 0.806 200 A HN 0.541 nan 8.150 nan 0.000 0.448 201 L N -1.834 119.199 121.223 -0.317 0.000 2.554 201 L HA 0.191 4.556 4.340 0.043 0.000 0.226 201 L C 1.660 178.427 176.870 -0.171 0.000 1.137 201 L CA 0.659 55.334 54.840 -0.275 0.000 0.863 201 L CB -0.057 41.759 42.059 -0.405 0.000 0.985 201 L HN 0.583 nan 8.230 nan 0.000 0.451 202 G N -0.541 108.171 108.800 -0.148 0.000 2.205 202 G HA2 -0.160 3.825 3.960 0.043 0.000 0.180 202 G HA3 -0.160 3.825 3.960 0.043 0.000 0.180 202 G C 0.352 175.192 174.900 -0.099 0.000 1.004 202 G CA -0.169 44.870 45.100 -0.102 0.000 0.670 202 G HN 0.398 nan 8.290 nan 0.000 0.496 203 A N 0.127 122.873 122.820 -0.124 0.000 2.366 203 A HA 0.675 5.021 4.320 0.043 0.000 0.249 203 A C 0.404 177.938 177.584 -0.082 0.000 1.084 203 A CA 0.325 52.300 52.037 -0.104 0.000 0.794 203 A CB 0.378 19.305 19.000 -0.122 0.000 1.034 203 A HN 0.345 nan 8.150 nan 0.000 0.491 204 K N 1.135 121.494 120.400 -0.067 0.000 2.404 204 K HA 0.588 4.934 4.320 0.043 0.000 0.257 204 K C -1.390 175.179 176.600 -0.052 0.000 1.026 204 K CA 0.306 56.561 56.287 -0.054 0.000 0.951 204 K CB 0.995 33.467 32.500 -0.047 0.000 1.203 204 K HN 0.582 nan 8.250 nan 0.000 0.446 205 I N 1.493 122.033 120.570 -0.050 0.000 2.686 205 I HA 0.326 4.522 4.170 0.043 0.000 0.295 205 I C -0.447 175.649 176.117 -0.035 0.000 1.114 205 I CA -0.744 60.529 61.300 -0.045 0.000 1.038 205 I CB 2.374 40.343 38.000 -0.051 0.000 1.238 205 I HN 0.568 nan 8.210 nan 0.000 0.420 206 S N 2.010 117.691 115.700 -0.032 0.000 2.556 206 S HA 0.816 5.311 4.470 0.043 0.000 0.271 206 S C 0.169 174.756 174.600 -0.022 0.000 1.135 206 S CA -0.032 58.154 58.200 -0.024 0.000 0.858 206 S CB 2.025 65.210 63.200 -0.024 0.000 1.114 206 S HN 1.347 nan 8.310 nan 0.000 0.468 207 G N 0.784 109.576 108.800 -0.014 0.000 2.195 207 G HA2 -0.246 3.739 3.960 0.043 0.000 0.246 207 G HA3 -0.246 3.739 3.960 0.043 0.000 0.246 207 G C 0.116 175.013 174.900 -0.004 0.000 0.984 207 G CA 0.078 45.172 45.100 -0.009 0.000 0.633 207 G HN 1.278 nan 8.290 nan 0.000 0.525 208 Q N 0.430 120.226 119.800 -0.007 0.000 2.263 208 Q HA 0.380 4.746 4.340 0.043 0.000 0.289 208 Q C 1.153 177.157 176.000 0.008 0.000 1.061 208 Q CA 1.159 56.960 55.803 -0.004 0.000 0.927 208 Q CB 0.819 29.551 28.738 -0.010 0.000 1.154 208 Q HN 1.842 nan 8.270 nan 0.000 0.378 209 G N 2.425 111.234 108.800 0.016 0.000 2.238 209 G HA2 -0.270 3.715 3.960 0.043 0.000 0.217 209 G HA3 -0.270 3.715 3.960 0.043 0.000 0.217 209 G C 0.256 175.179 174.900 0.039 0.000 0.996 209 G CA 0.205 45.325 45.100 0.034 0.000 0.632 209 G HN 1.102 nan 8.290 nan 0.000 0.503 210 T N -1.532 113.036 114.554 0.024 0.000 2.919 210 T HA 0.562 4.938 4.350 0.043 0.000 0.282 210 T C 0.868 175.581 174.700 0.021 0.000 1.020 210 T CA 0.629 62.741 62.100 0.021 0.000 0.994 210 T CB 1.595 70.470 68.868 0.012 0.000 1.180 210 T HN 0.171 nan 8.240 nan 0.000 0.566 211 D N -0.980 119.431 120.400 0.019 0.000 2.363 211 D HA 0.058 4.723 4.640 0.043 0.000 0.226 211 D C 0.654 176.968 176.300 0.023 0.000 1.020 211 D CA -0.094 53.918 54.000 0.021 0.000 0.892 211 D CB -0.277 40.535 40.800 0.020 0.000 0.900 211 D HN 0.722 nan 8.370 nan 0.000 0.531 212 R N 0.298 120.808 120.500 0.017 0.000 2.483 212 R HA 0.550 4.916 4.340 0.043 0.000 0.303 212 R C -1.355 174.942 176.300 -0.005 0.000 0.987 212 R CA -0.680 55.427 56.100 0.012 0.000 0.881 212 R CB 0.970 31.278 30.300 0.014 0.000 1.177 212 R HN -0.039 nan 8.270 nan 0.000 0.451 213 I N 2.939 123.503 120.570 -0.009 0.000 2.377 213 I HA 0.327 4.522 4.170 0.043 0.000 0.293 213 I C -0.357 175.738 176.117 -0.038 0.000 0.987 213 I CA -0.916 60.372 61.300 -0.020 0.000 1.185 213 I CB 2.464 40.455 38.000 -0.016 0.000 1.341 213 I HN 0.676 nan 8.210 nan 0.000 0.455 214 T N 7.087 121.614 114.554 -0.045 0.000 2.772 214 T HA 0.593 4.969 4.350 0.043 0.000 0.288 214 T C -0.351 174.319 174.700 -0.051 0.000 0.994 214 T CA -0.298 61.767 62.100 -0.059 0.000 0.951 214 T CB 0.823 69.653 68.868 -0.064 0.000 0.933 214 T HN 0.171 nan 8.240 nan 0.000 0.447 215 I N 2.703 123.241 120.570 -0.052 0.000 2.406 215 I HA 0.353 4.548 4.170 0.043 0.000 0.290 215 I C 0.273 176.360 176.117 -0.049 0.000 0.999 215 I CA -0.533 60.738 61.300 -0.048 0.000 1.124 215 I CB 1.790 39.764 38.000 -0.045 0.000 1.289 215 I HN 0.540 nan 8.210 nan 0.000 0.441 216 E N 4.666 124.838 120.200 -0.047 0.000 2.092 216 E HA 0.531 4.907 4.350 0.043 0.000 0.271 216 E C 0.172 176.744 176.600 -0.045 0.000 0.919 216 E CA -0.625 55.749 56.400 -0.045 0.000 0.760 216 E CB 1.045 30.721 29.700 -0.042 0.000 1.106 216 E HN 0.822 nan 8.360 nan 0.000 0.408 217 G N 2.321 111.095 108.800 -0.044 0.000 2.559 217 G HA2 0.308 4.294 3.960 0.043 0.000 0.235 217 G HA3 0.308 4.294 3.960 0.043 0.000 0.235 217 G C -0.050 174.822 174.900 -0.046 0.000 1.266 217 G CA 0.067 45.139 45.100 -0.046 0.000 0.847 217 G HN 0.461 nan 8.290 nan 0.000 0.583 218 V N -1.117 118.766 119.914 -0.051 0.000 3.102 218 V HA 0.563 4.708 4.120 0.043 0.000 0.312 218 V C 0.713 176.775 176.094 -0.054 0.000 1.135 218 V CA -0.803 61.467 62.300 -0.050 0.000 1.022 218 V CB 1.980 33.770 31.823 -0.054 0.000 1.056 218 V HN 0.778 nan 8.190 nan 0.000 0.436 219 E N 0.991 121.160 120.200 -0.050 0.000 2.208 219 E HA 0.030 4.406 4.350 0.043 0.000 0.193 219 E C 0.306 176.867 176.600 -0.066 0.000 0.988 219 E CA 1.243 57.610 56.400 -0.054 0.000 0.828 219 E CB 0.163 29.836 29.700 -0.045 0.000 0.763 219 E HN 0.754 nan 8.360 nan 0.000 0.478 220 R N -0.649 119.813 120.500 -0.065 0.000 2.664 220 R HA 0.467 4.832 4.340 0.043 0.000 0.266 220 R C -1.479 174.779 176.300 -0.070 0.000 1.046 220 R CA -0.697 55.360 56.100 -0.072 0.000 0.885 220 R CB 0.808 31.069 30.300 -0.064 0.000 1.254 220 R HN -0.163 nan 8.270 nan 0.000 0.465 221 L N 1.306 122.484 121.223 -0.076 0.000 2.334 221 L HA 0.686 5.052 4.340 0.043 0.000 0.273 221 L C 0.667 177.496 176.870 -0.068 0.000 1.013 221 L CA -0.679 54.109 54.840 -0.086 0.000 0.816 221 L CB 1.947 43.940 42.059 -0.111 0.000 1.278 221 L HN 0.986 nan 8.230 nan 0.000 0.431 222 G N 0.754 109.512 108.800 -0.069 0.000 3.329 222 G HA2 0.627 4.613 3.960 0.043 0.000 0.180 222 G HA3 0.627 4.613 3.960 0.043 0.000 0.180 222 G C -0.057 174.820 174.900 -0.037 0.000 1.640 222 G CA 0.251 45.326 45.100 -0.042 0.000 1.018 222 G HN 0.748 nan 8.290 nan 0.000 0.581 223 G N -2.853 105.935 108.800 -0.021 0.000 3.176 223 G HA2 0.728 4.713 3.960 0.043 0.000 0.272 223 G HA3 0.728 4.713 3.960 0.043 0.000 0.272 223 G C -0.324 174.577 174.900 0.001 0.000 1.349 223 G CA 0.047 45.149 45.100 0.004 0.000 0.953 223 G HN 1.792 nan 8.290 nan 0.000 0.559 224 G N -2.711 106.119 108.800 0.050 0.000 2.356 224 G HA2 0.513 4.499 3.960 0.043 0.000 0.288 224 G HA3 0.513 4.499 3.960 0.043 0.000 0.288 224 G C -2.010 172.963 174.900 0.122 0.000 1.302 224 G CA 0.116 45.256 45.100 0.066 0.000 0.887 224 G HN 1.360 nan 8.290 nan 0.000 0.521 225 V N 0.234 120.227 119.914 0.132 0.000 2.588 225 V HA 0.774 4.920 4.120 0.043 0.000 0.304 225 V C -1.207 175.013 176.094 0.210 0.000 1.042 225 V CA -0.629 61.753 62.300 0.137 0.000 0.877 225 V CB 1.615 33.485 31.823 0.079 0.000 0.996 225 V HN 1.011 nan 8.190 nan 0.000 0.425 226 Y N 3.569 123.911 120.300 0.071 0.000 2.479 226 Y HA 0.604 5.179 4.550 0.041 0.000 0.338 226 Y C -0.376 175.518 175.900 -0.010 0.000 1.055 226 Y CA -0.825 57.324 58.100 0.082 0.000 1.023 226 Y CB 1.805 40.426 38.460 0.269 0.000 1.287 226 Y HN 0.634 nan 8.280 nan 0.000 0.447 227 R N 5.180 125.359 120.500 -0.536 0.000 2.265 227 R HA 0.593 4.959 4.340 0.043 0.000 0.328 227 R C -1.454 174.656 176.300 -0.316 0.000 0.969 227 R CA -0.573 55.327 56.100 -0.334 0.000 0.832 227 R CB 0.926 31.058 30.300 -0.281 0.000 1.139 227 R HN 0.618 nan 8.270 nan 0.000 0.457 228 V N 6.590 126.452 119.914 -0.088 0.000 2.673 228 V HA -0.017 4.129 4.120 0.043 0.000 0.303 228 V C 1.040 177.109 176.094 -0.042 0.000 1.046 228 V CA -0.040 62.258 62.300 -0.003 0.000 1.126 228 V CB 0.509 32.313 31.823 -0.032 0.000 0.934 228 V HN 0.691 nan 8.190 nan 0.000 0.487 229 L N 5.719 126.939 121.223 -0.005 0.000 2.474 229 L HA 0.483 4.848 4.340 0.043 0.000 0.259 229 L C -2.339 174.518 176.870 -0.021 0.000 1.232 229 L CA -1.459 53.368 54.840 -0.022 0.000 0.821 229 L CB -0.118 41.939 42.059 -0.002 0.000 1.108 229 L HN 0.354 nan 8.230 nan 0.000 0.495 230 P HA -0.001 nan 4.420 nan 0.000 0.269 230 P C -1.202 176.095 177.300 -0.004 0.000 1.209 230 P CA -0.011 63.086 63.100 -0.006 0.000 0.776 230 P CB 0.348 32.050 31.700 0.004 0.000 0.876 231 D N 2.608 123.011 120.400 0.004 0.000 2.352 231 D HA -0.002 4.664 4.640 0.043 0.000 0.245 231 D C 1.312 177.622 176.300 0.016 0.000 1.224 231 D CA -0.102 53.896 54.000 -0.004 0.000 0.879 231 D CB 0.559 41.351 40.800 -0.014 0.000 1.057 231 D HN 0.346 nan 8.370 nan 0.000 0.491 232 R N 3.791 124.291 120.500 0.000 0.000 2.148 232 R HA -0.099 4.267 4.340 0.043 0.000 0.227 232 R C 1.337 177.652 176.300 0.025 0.000 1.103 232 R CA 0.550 56.657 56.100 0.012 0.000 0.983 232 R CB -0.088 30.203 30.300 -0.014 0.000 0.874 232 R HN 0.347 nan 8.270 nan 0.000 0.451 233 I N 1.673 122.245 120.570 0.003 0.000 2.500 233 I HA -0.093 4.102 4.170 0.043 0.000 0.252 233 I C 2.468 178.627 176.117 0.069 0.000 1.142 233 I CA 1.048 62.356 61.300 0.013 0.000 1.451 233 I CB -1.085 36.898 38.000 -0.028 0.000 1.093 233 I HN 0.358 nan 8.210 nan 0.000 0.430 234 E N 1.097 121.333 120.200 0.060 0.000 2.072 234 E HA -0.175 4.200 4.350 0.043 0.000 0.191 234 E C 2.003 178.798 176.600 0.326 0.000 0.985 234 E CA 1.817 58.342 56.400 0.208 0.000 0.801 234 E CB 0.205 30.021 29.700 0.194 0.000 0.750 234 E HN 0.371 nan 8.360 nan 0.000 0.452 235 T N -0.042 114.652 114.554 0.232 0.000 2.652 235 T HA -0.151 4.224 4.350 0.043 0.000 0.267 235 T C 1.779 176.611 174.700 0.219 0.000 1.039 235 T CA 1.390 63.630 62.100 0.233 0.000 1.153 235 T CB -0.766 68.185 68.868 0.137 0.000 0.863 235 T HN 0.408 nan 8.240 nan 0.000 0.428 236 G N 0.955 109.850 108.800 0.158 0.000 2.442 236 G HA2 -0.224 3.762 3.960 0.043 0.000 0.219 236 G HA3 -0.224 3.762 3.960 0.043 0.000 0.219 236 G C 1.704 176.695 174.900 0.152 0.000 1.141 236 G CA 1.481 46.678 45.100 0.161 0.000 0.763 236 G HN 0.471 nan 8.290 nan 0.000 0.554 237 T N 0.847 115.470 114.554 0.116 0.000 2.746 237 T HA -0.075 4.301 4.350 0.043 0.000 0.267 237 T C 2.019 176.643 174.700 -0.126 0.000 1.039 237 T CA 1.053 63.141 62.100 -0.020 0.000 1.142 237 T CB -0.326 68.511 68.868 -0.051 0.000 0.866 237 T HN 0.293 nan 8.240 nan 0.000 0.444 238 F N 0.678 120.682 119.950 0.090 0.000 2.325 238 F HA 0.190 4.739 4.527 0.036 0.000 0.299 238 F C 2.050 177.874 175.800 0.039 0.000 1.090 238 F CA 0.418 58.450 58.000 0.053 0.000 1.392 238 F CB -0.413 38.624 39.000 0.063 0.000 1.053 238 F HN 0.062 nan 8.300 nan 0.000 0.521 239 L N -0.851 120.499 121.223 0.211 0.000 2.093 239 L HA -0.180 4.186 4.340 0.043 0.000 0.208 239 L C 2.301 179.208 176.870 0.062 0.000 1.085 239 L CA 0.648 55.571 54.840 0.138 0.000 0.755 239 L CB -0.657 41.489 42.059 0.145 0.000 0.904 239 L HN -0.026 nan 8.230 nan 0.000 0.435 240 V N 0.012 119.938 119.914 0.020 0.000 2.358 240 V HA -0.250 3.895 4.120 0.043 0.000 0.246 240 V C 2.760 178.810 176.094 -0.073 0.000 1.047 240 V CA 1.621 63.865 62.300 -0.092 0.000 1.035 240 V CB -0.806 30.929 31.823 -0.147 0.000 0.658 240 V HN 0.467 nan 8.190 nan 0.000 0.452 241 A N 0.079 122.876 122.820 -0.040 0.000 1.948 241 A HA -0.190 4.155 4.320 0.043 0.000 0.220 241 A C 2.385 179.970 177.584 0.002 0.000 1.177 241 A CA 2.370 54.391 52.037 -0.027 0.000 0.636 241 A CB -0.666 18.338 19.000 0.007 0.000 0.815 241 A HN 0.581 nan 8.150 nan 0.000 0.449 242 A N -0.475 122.363 122.820 0.029 0.000 1.874 242 A HA 0.311 4.656 4.320 0.043 0.000 0.214 242 A C 2.502 180.079 177.584 -0.012 0.000 1.189 242 A CA 1.666 53.714 52.037 0.018 0.000 0.615 242 A CB -1.033 17.987 19.000 0.034 0.000 0.830 242 A HN 1.084 nan 8.150 nan 0.000 0.443 243 A N 0.652 123.458 122.820 -0.023 0.000 1.978 243 A HA -0.120 4.226 4.320 0.043 0.000 0.220 243 A C 2.021 179.572 177.584 -0.055 0.000 1.170 243 A CA 1.618 53.629 52.037 -0.042 0.000 0.636 243 A CB -0.797 18.161 19.000 -0.069 0.000 0.810 243 A HN 1.025 nan 8.150 nan 0.000 0.448 244 I N -2.917 117.613 120.570 -0.066 0.000 3.728 244 I HA 0.117 4.313 4.170 0.043 0.000 0.307 244 I C 1.271 177.365 176.117 -0.040 0.000 1.276 244 I CA 1.125 62.387 61.300 -0.063 0.000 1.285 244 I CB 0.223 38.174 38.000 -0.082 0.000 1.038 244 I HN 0.238 nan 8.210 nan 0.000 0.445 245 S N -0.187 115.496 115.700 -0.029 0.000 2.663 245 S HA 0.460 4.956 4.470 0.043 0.000 0.243 245 S C 1.464 176.056 174.600 -0.013 0.000 1.009 245 S CA 0.134 58.322 58.200 -0.019 0.000 0.988 245 S CB 0.269 63.460 63.200 -0.015 0.000 0.896 245 S HN 0.719 nan 8.310 nan 0.000 0.502 246 G N 0.580 109.372 108.800 -0.013 0.000 2.175 246 G HA2 -0.206 3.779 3.960 0.043 0.000 0.265 246 G HA3 -0.206 3.779 3.960 0.043 0.000 0.265 246 G C 0.624 175.515 174.900 -0.015 0.000 0.979 246 G CA 0.182 45.277 45.100 -0.007 0.000 0.663 246 G HN 1.104 nan 8.290 nan 0.000 0.533 247 G N -0.807 107.982 108.800 -0.018 0.000 2.508 247 G HA2 0.579 4.565 3.960 0.043 0.000 0.278 247 G HA3 0.579 4.565 3.960 0.043 0.000 0.278 247 G C -0.104 174.771 174.900 -0.043 0.000 1.389 247 G CA 0.184 45.270 45.100 -0.023 0.000 1.050 247 G HN 0.689 nan 8.290 nan 0.000 0.522 248 K N -1.137 119.240 120.400 -0.038 0.000 2.468 248 K HA 0.636 4.981 4.320 0.043 0.000 0.252 248 K C -1.751 174.839 176.600 -0.016 0.000 0.932 248 K CA -0.730 55.528 56.287 -0.048 0.000 0.794 248 K CB 2.203 34.657 32.500 -0.075 0.000 1.241 248 K HN 0.446 nan 8.250 nan 0.000 0.428 249 I N 2.859 123.431 120.570 0.003 0.000 3.006 249 I HA 0.449 4.645 4.170 0.043 0.000 0.306 249 I C -1.752 174.385 176.117 0.034 0.000 1.250 249 I CA -1.002 60.309 61.300 0.017 0.000 0.996 249 I CB 2.427 40.456 38.000 0.049 0.000 1.261 249 I HN 0.412 nan 8.210 nan 0.000 0.442 250 V N 5.003 124.928 119.914 0.018 0.000 2.483 250 V HA 0.355 4.501 4.120 0.043 0.000 0.297 250 V C -0.702 175.420 176.094 0.046 0.000 1.027 250 V CA -0.560 61.768 62.300 0.047 0.000 0.855 250 V CB 1.415 33.217 31.823 -0.035 0.000 0.995 250 V HN 0.767 nan 8.190 nan 0.000 0.424 251 C N 6.203 125.571 119.300 0.112 0.000 2.273 251 C HA 0.625 5.110 4.460 0.043 0.000 0.328 251 C C 0.553 175.616 174.990 0.122 0.000 1.275 251 C CA -1.038 58.028 59.018 0.080 0.000 1.704 251 C CB 0.051 27.855 27.740 0.107 0.000 2.326 251 C HN 0.745 nan 8.230 nan 0.000 0.517 252 R N 2.322 122.859 120.500 0.061 0.000 2.573 252 R HA 0.288 4.654 4.340 0.043 0.000 0.272 252 R C 0.211 176.550 176.300 0.064 0.000 1.009 252 R CA -0.443 55.707 56.100 0.083 0.000 1.059 252 R CB 0.275 30.590 30.300 0.026 0.000 1.112 252 R HN 0.777 nan 8.270 nan 0.000 0.517 253 N N -1.168 117.576 118.700 0.073 0.000 2.738 253 N HA -0.197 4.568 4.740 0.043 0.000 0.249 253 N C -1.178 174.356 175.510 0.041 0.000 1.047 253 N CA 1.171 54.247 53.050 0.043 0.000 0.707 253 N CB -0.914 37.584 38.487 0.019 0.000 0.937 253 N HN 0.735 nan 8.380 nan 0.000 0.545 254 A N -0.195 122.659 122.820 0.057 0.000 2.313 254 A HA 0.747 5.092 4.320 0.043 0.000 0.323 254 A C 0.023 177.613 177.584 0.009 0.000 1.133 254 A CA -0.490 51.571 52.037 0.041 0.000 0.847 254 A CB 1.338 20.376 19.000 0.063 0.000 1.308 254 A HN 0.212 nan 8.150 nan 0.000 0.475 255 Q N 0.611 120.410 119.800 -0.001 0.000 2.771 255 Q HA 0.321 4.686 4.340 0.043 0.000 0.247 255 Q C -2.262 173.725 176.000 -0.022 0.000 0.986 255 Q CA -1.814 53.977 55.803 -0.020 0.000 0.713 255 Q CB 1.290 30.019 28.738 -0.015 0.000 1.241 255 Q HN 0.428 nan 8.270 nan 0.000 0.488 256 P HA -0.227 nan 4.420 nan 0.000 0.217 256 P C 0.548 177.835 177.300 -0.022 0.000 1.151 256 P CA 1.640 64.710 63.100 -0.051 0.000 0.849 256 P CB 0.193 31.822 31.700 -0.118 0.000 0.787 257 D N -1.566 118.823 120.400 -0.019 0.000 2.378 257 D HA -0.097 4.569 4.640 0.043 0.000 0.227 257 D C 1.105 177.436 176.300 0.052 0.000 1.012 257 D CA 1.232 55.237 54.000 0.007 0.000 0.905 257 D CB -1.426 39.376 40.800 0.002 0.000 0.895 257 D HN 0.233 nan 8.370 nan 0.000 0.532 258 T N -2.708 111.873 114.554 0.046 0.000 3.086 258 T HA 0.209 4.585 4.350 0.043 0.000 0.250 258 T C 1.216 175.984 174.700 0.113 0.000 1.074 258 T CA -0.248 61.900 62.100 0.079 0.000 0.988 258 T CB -0.224 68.640 68.868 -0.007 0.000 0.988 258 T HN 0.177 nan 8.240 nan 0.000 0.530 259 L N 0.848 122.110 121.223 0.065 0.000 3.289 259 L HA 0.368 4.733 4.340 0.043 0.000 0.291 259 L C 0.801 177.687 176.870 0.026 0.000 1.279 259 L CA -0.296 54.569 54.840 0.041 0.000 1.025 259 L CB 0.544 42.624 42.059 0.035 0.000 1.413 259 L HN -0.011 nan 8.230 nan 0.000 0.593 260 D N 1.454 121.865 120.400 0.019 0.000 2.116 260 D HA -0.222 4.443 4.640 0.043 0.000 0.193 260 D C 2.133 178.439 176.300 0.010 0.000 0.998 260 D CA 1.736 55.739 54.000 0.005 0.000 0.836 260 D CB 0.251 41.042 40.800 -0.015 0.000 0.951 260 D HN 0.419 nan 8.370 nan 0.000 0.449 261 A N 0.703 123.517 122.820 -0.011 0.000 1.902 261 A HA -0.124 4.222 4.320 0.043 0.000 0.217 261 A C 2.596 180.217 177.584 0.062 0.000 1.181 261 A CA 1.227 53.275 52.037 0.018 0.000 0.623 261 A CB -0.700 18.299 19.000 -0.003 0.000 0.818 261 A HN 0.155 nan 8.150 nan 0.000 0.443 262 V N 0.148 120.061 119.914 -0.001 0.000 2.307 262 V HA -0.224 3.922 4.120 0.043 0.000 0.245 262 V C 2.563 178.769 176.094 0.188 0.000 1.045 262 V CA 1.835 64.168 62.300 0.056 0.000 1.024 262 V CB -0.725 31.096 31.823 -0.003 0.000 0.651 262 V HN 0.565 nan 8.190 nan 0.000 0.449 263 L N 0.137 121.433 121.223 0.122 0.000 2.046 263 L HA -0.164 4.201 4.340 0.043 0.000 0.208 263 L C 2.764 179.708 176.870 0.124 0.000 1.077 263 L CA 1.605 56.518 54.840 0.122 0.000 0.747 263 L CB -0.897 41.204 42.059 0.071 0.000 0.896 263 L HN 0.367 nan 8.230 nan 0.000 0.432 264 A N -0.052 122.828 122.820 0.099 0.000 1.908 264 A HA -0.238 4.107 4.320 0.043 0.000 0.218 264 A C 2.289 179.945 177.584 0.119 0.000 1.181 264 A CA 1.823 53.912 52.037 0.087 0.000 0.627 264 A CB -0.364 18.671 19.000 0.059 0.000 0.818 264 A HN 0.165 nan 8.150 nan 0.000 0.445 265 K N -0.257 120.242 120.400 0.165 0.000 2.097 265 K HA 0.094 4.440 4.320 0.043 0.000 0.205 265 K C 1.735 178.519 176.600 0.307 0.000 1.050 265 K CA 0.933 57.353 56.287 0.222 0.000 0.938 265 K CB -0.498 32.131 32.500 0.215 0.000 0.718 265 K HN 0.525 nan 8.250 nan 0.000 0.442 266 L N -0.097 121.319 121.223 0.322 0.000 2.141 266 L HA -0.124 4.242 4.340 0.043 0.000 0.209 266 L C 2.278 179.233 176.870 0.141 0.000 1.094 266 L CA 1.120 56.100 54.840 0.235 0.000 0.763 266 L CB -0.215 41.971 42.059 0.212 0.000 0.908 266 L HN 0.127 nan 8.230 nan 0.000 0.437 267 R N 0.061 120.637 120.500 0.127 0.000 2.075 267 R HA -0.148 4.217 4.340 0.043 0.000 0.232 267 R C 2.054 178.404 176.300 0.084 0.000 1.126 267 R CA 1.238 57.394 56.100 0.093 0.000 0.963 267 R CB -0.228 30.119 30.300 0.079 0.000 0.858 267 R HN 0.419 nan 8.270 nan 0.000 0.435 268 E N 0.276 120.531 120.200 0.092 0.000 2.265 268 E HA -0.120 4.255 4.350 0.043 0.000 0.196 268 E C 1.498 178.141 176.600 0.072 0.000 0.996 268 E CA 0.887 57.331 56.400 0.075 0.000 0.832 268 E CB 0.079 29.823 29.700 0.073 0.000 0.756 268 E HN 0.332 nan 8.360 nan 0.000 0.491 269 A N -0.129 122.743 122.820 0.087 0.000 2.251 269 A HA 0.280 4.626 4.320 0.043 0.000 0.209 269 A C 1.646 179.259 177.584 0.048 0.000 1.187 269 A CA 0.786 52.860 52.037 0.062 0.000 0.823 269 A CB 0.039 19.072 19.000 0.055 0.000 0.846 269 A HN 0.317 nan 8.150 nan 0.000 0.486 270 G N -2.232 106.603 108.800 0.059 0.000 2.184 270 G HA2 0.160 4.146 3.960 0.043 0.000 0.206 270 G HA3 0.160 4.146 3.960 0.043 0.000 0.206 270 G C 0.362 175.307 174.900 0.074 0.000 0.995 270 G CA 0.070 45.207 45.100 0.061 0.000 0.651 270 G HN 1.468 nan 8.290 nan 0.000 0.511 271 A N 0.205 123.066 122.820 0.069 0.000 2.388 271 A HA 0.557 4.903 4.320 0.043 0.000 0.257 271 A C 0.117 177.752 177.584 0.084 0.000 1.095 271 A CA 0.588 52.664 52.037 0.066 0.000 0.791 271 A CB 0.575 19.610 19.000 0.058 0.000 1.029 271 A HN 0.522 nan 8.150 nan 0.000 0.489 272 D N 2.112 122.563 120.400 0.083 0.000 2.396 272 D HA 0.461 5.127 4.640 0.043 0.000 0.225 272 D C -0.603 175.747 176.300 0.084 0.000 1.121 272 D CA 0.056 54.123 54.000 0.113 0.000 0.853 272 D CB 0.022 40.944 40.800 0.203 0.000 1.043 272 D HN 0.350 nan 8.370 nan 0.000 0.500 273 I N 2.861 123.484 120.570 0.089 0.000 2.441 273 I HA 0.379 4.575 4.170 0.043 0.000 0.295 273 I C 0.229 176.401 176.117 0.092 0.000 0.994 273 I CA -0.773 60.581 61.300 0.089 0.000 1.144 273 I CB 1.785 39.831 38.000 0.077 0.000 1.314 273 I HN 0.265 nan 8.210 nan 0.000 0.445 274 E N 3.309 123.583 120.200 0.124 0.000 2.317 274 E HA 0.577 4.953 4.350 0.043 0.000 0.270 274 E C -1.118 175.469 176.600 -0.021 0.000 0.885 274 E CA -0.812 55.657 56.400 0.116 0.000 0.760 274 E CB 2.730 32.593 29.700 0.272 0.000 1.227 274 E HN 0.667 nan 8.360 nan 0.000 0.434 275 T N -1.376 112.989 114.554 -0.315 0.000 2.906 275 T HA 0.803 5.178 4.350 0.043 0.000 0.295 275 T C 0.114 174.065 174.700 -1.247 0.000 1.075 275 T CA -0.722 60.938 62.100 -0.732 0.000 1.005 275 T CB 1.931 70.574 68.868 -0.374 0.000 1.136 275 T HN 0.514 nan 8.240 nan 0.000 0.498 276 G N -0.034 107.673 108.800 -1.823 0.000 3.262 276 G HA2 0.504 4.490 3.960 0.043 0.000 0.229 276 G HA3 0.504 4.490 3.960 0.043 0.000 0.229 276 G C 0.129 174.608 174.900 -0.701 0.000 1.280 276 G CA -0.493 43.749 45.100 -1.429 0.000 0.951 276 G HN 0.705 nan 8.290 nan 0.000 0.589 277 E N -0.590 119.396 120.200 -0.356 0.000 2.230 277 E HA 0.010 4.385 4.350 0.043 0.000 0.192 277 E C 0.742 177.264 176.600 -0.130 0.000 0.987 277 E CA 1.549 57.846 56.400 -0.173 0.000 0.841 277 E CB 0.252 29.917 29.700 -0.058 0.000 0.783 277 E HN 0.449 nan 8.360 nan 0.000 0.481 278 D N -0.773 119.574 120.400 -0.088 0.000 2.692 278 D HA 0.061 4.727 4.640 0.043 0.000 0.290 278 D C -0.419 175.964 176.300 0.139 0.000 1.455 278 D CA -0.571 53.443 54.000 0.024 0.000 0.796 278 D CB -0.804 40.043 40.800 0.079 0.000 1.131 278 D HN 0.253 nan 8.370 nan 0.000 0.467 279 W N -0.046 121.257 121.300 0.004 0.000 3.137 279 W HA 0.675 5.359 4.660 0.040 0.000 0.324 279 W C -2.125 174.402 176.519 0.013 0.000 1.253 279 W CA -1.309 56.038 57.345 0.005 0.000 1.183 279 W CB 0.501 29.961 29.460 -0.001 0.000 1.424 279 W HN -0.296 nan 8.180 nan 0.000 0.566 280 I N 3.070 123.855 120.570 0.358 0.000 2.569 280 I HA 0.297 4.492 4.170 0.043 0.000 0.290 280 I C -0.240 176.102 176.117 0.374 0.000 1.088 280 I CA -0.709 60.730 61.300 0.231 0.000 1.047 280 I CB 2.551 40.611 38.000 0.100 0.000 1.237 280 I HN 0.453 nan 8.210 nan 0.000 0.421 281 S N 6.988 122.928 115.700 0.401 0.000 2.500 281 S HA 0.842 5.337 4.470 0.043 0.000 0.301 281 S C -1.019 173.678 174.600 0.163 0.000 1.092 281 S CA -0.729 57.633 58.200 0.270 0.000 1.030 281 S CB 2.288 65.656 63.200 0.281 0.000 1.031 281 S HN 0.643 nan 8.310 nan 0.000 0.483 282 L N 2.262 123.541 121.223 0.094 0.000 2.410 282 L HA 0.681 5.047 4.340 0.043 0.000 0.270 282 L C -1.881 174.980 176.870 -0.014 0.000 0.983 282 L CA -0.307 54.564 54.840 0.052 0.000 0.822 282 L CB 1.896 43.992 42.059 0.062 0.000 1.285 282 L HN 0.833 nan 8.230 nan 0.000 0.409 283 D N 4.862 125.213 120.400 -0.081 0.000 2.696 283 D HA 0.280 4.946 4.640 0.043 0.000 0.251 283 D C 0.194 176.330 176.300 -0.275 0.000 1.188 283 D CA -0.420 53.434 54.000 -0.244 0.000 0.876 283 D CB 1.934 42.472 40.800 -0.437 0.000 1.334 283 D HN 0.495 nan 8.370 nan 0.000 0.540 284 M N 1.658 121.147 119.600 -0.186 0.000 2.509 284 M HA 0.024 4.530 4.480 0.043 0.000 0.250 284 M C 0.218 176.520 176.300 0.004 0.000 1.132 284 M CA 0.267 55.528 55.300 -0.065 0.000 1.080 284 M CB -0.646 31.940 32.600 -0.023 0.000 1.408 284 M HN 0.508 nan 8.290 nan 0.000 0.484 285 H N -0.006 119.075 119.070 0.018 0.000 2.820 285 H HA -0.169 4.414 4.556 0.044 0.000 0.295 285 H C 1.303 176.637 175.328 0.011 0.000 1.187 285 H CA 0.994 57.051 56.048 0.015 0.000 1.144 285 H CB -2.112 27.660 29.762 0.017 0.000 1.354 285 H HN 0.636 nan 8.280 nan 0.000 0.395 286 G N -0.673 108.169 108.800 0.070 0.000 2.168 286 G HA2 -0.334 3.652 3.960 0.043 0.000 0.263 286 G HA3 -0.334 3.652 3.960 0.043 0.000 0.263 286 G C 0.349 175.276 174.900 0.045 0.000 0.977 286 G CA 0.740 45.869 45.100 0.048 0.000 0.659 286 G HN 0.359 nan 8.290 nan 0.000 0.533 287 K N 0.288 120.723 120.400 0.057 0.000 2.144 287 K HA 0.407 4.753 4.320 0.043 0.000 0.270 287 K C 0.735 177.350 176.600 0.025 0.000 1.005 287 K CA -0.829 55.484 56.287 0.045 0.000 0.932 287 K CB 1.167 33.703 32.500 0.061 0.000 1.021 287 K HN 0.449 nan 8.250 nan 0.000 0.462 288 R N 3.155 123.666 120.500 0.018 0.000 2.490 288 R HA 0.144 4.509 4.340 0.043 0.000 0.280 288 R C -1.989 174.316 176.300 0.008 0.000 1.077 288 R CA -1.104 55.000 56.100 0.007 0.000 1.065 288 R CB 0.355 30.659 30.300 0.008 0.000 1.003 288 R HN 0.352 nan 8.270 nan 0.000 0.470 289 P HA 0.055 nan 4.420 nan 0.000 0.272 289 P C -1.271 176.032 177.300 0.004 0.000 1.230 289 P CA -0.023 63.074 63.100 -0.005 0.000 0.788 289 P CB 0.658 32.338 31.700 -0.033 0.000 0.949 290 K N 0.846 121.254 120.400 0.013 0.000 2.183 290 K HA 0.491 4.836 4.320 0.043 0.000 0.274 290 K C 0.196 176.807 176.600 0.018 0.000 1.009 290 K CA -0.677 55.621 56.287 0.018 0.000 0.888 290 K CB 1.482 33.998 32.500 0.026 0.000 1.078 290 K HN 0.544 nan 8.250 nan 0.000 0.459 291 A N 2.381 125.208 122.820 0.012 0.000 2.561 291 A HA 0.265 4.610 4.320 0.043 0.000 0.234 291 A C 0.416 178.011 177.584 0.018 0.000 1.055 291 A CA -0.200 51.842 52.037 0.008 0.000 0.756 291 A CB -0.075 18.923 19.000 -0.004 0.000 0.986 291 A HN 0.564 nan 8.150 nan 0.000 0.505 292 V N -0.413 119.517 119.914 0.027 0.000 3.141 292 V HA 0.877 5.023 4.120 0.043 0.000 0.312 292 V C -0.095 175.995 176.094 -0.007 0.000 1.157 292 V CA -0.643 61.675 62.300 0.030 0.000 1.041 292 V CB 1.694 33.569 31.823 0.086 0.000 1.071 292 V HN 0.793 nan 8.190 nan 0.000 0.441 293 T N 1.547 116.081 114.554 -0.033 0.000 2.824 293 T HA 0.761 5.136 4.350 0.043 0.000 0.280 293 T C -0.642 173.975 174.700 -0.139 0.000 0.995 293 T CA -0.323 61.735 62.100 -0.069 0.000 1.009 293 T CB 1.449 70.287 68.868 -0.050 0.000 0.955 293 T HN 0.763 nan 8.240 nan 0.000 0.452 294 V N 3.223 123.015 119.914 -0.203 0.000 2.876 294 V HA 0.664 4.810 4.120 0.043 0.000 0.312 294 V C -0.399 175.551 176.094 -0.241 0.000 1.085 294 V CA -0.983 61.085 62.300 -0.388 0.000 0.945 294 V CB 2.352 33.693 31.823 -0.804 0.000 1.017 294 V HN 0.752 nan 8.190 nan 0.000 0.428 295 R N 1.988 122.372 120.500 -0.194 0.000 2.502 295 R HA 0.522 4.888 4.340 0.043 0.000 0.298 295 R C -0.292 176.027 176.300 0.032 0.000 1.018 295 R CA -0.292 55.776 56.100 -0.052 0.000 0.899 295 R CB 1.787 32.071 30.300 -0.026 0.000 1.181 295 R HN 0.942 nan 8.270 nan 0.000 0.444 296 T N 1.065 115.676 114.554 0.095 0.000 2.899 296 T HA 0.756 5.131 4.350 0.043 0.000 0.295 296 T C 0.109 174.858 174.700 0.083 0.000 1.033 296 T CA -0.118 62.090 62.100 0.181 0.000 1.084 296 T CB 1.652 70.636 68.868 0.193 0.000 0.979 296 T HN 0.702 nan 8.240 nan 0.000 0.532 297 A N 2.614 125.476 122.820 0.069 0.000 2.515 297 A HA 0.712 5.058 4.320 0.043 0.000 0.292 297 A C -3.183 174.410 177.584 0.016 0.000 1.065 297 A CA -1.623 50.424 52.037 0.018 0.000 0.641 297 A CB 0.083 19.090 19.000 0.012 0.000 1.306 297 A HN 0.655 nan 8.150 nan 0.000 0.441 298 P HA 0.264 nan 4.420 nan 0.000 0.267 298 P C -0.305 177.022 177.300 0.046 0.000 1.200 298 P CA 0.435 63.550 63.100 0.025 0.000 0.772 298 P CB 0.145 31.852 31.700 0.012 0.000 0.855 299 H N 4.812 123.872 119.070 -0.016 0.000 3.016 299 H HA -0.012 4.570 4.556 0.044 0.000 0.345 299 H C -1.222 174.098 175.328 -0.012 0.000 1.066 299 H CA -0.509 55.527 56.048 -0.020 0.000 1.390 299 H CB 0.263 30.014 29.762 -0.018 0.000 1.344 299 H HN 0.331 nan 8.280 nan 0.000 0.605 300 P HA 0.133 nan 4.420 nan 0.000 0.255 300 P C -0.488 176.583 177.300 -0.381 0.000 1.427 300 P CA 0.185 62.698 63.100 -0.979 0.000 0.863 300 P CB -0.150 31.103 31.700 -0.746 0.000 1.444 301 A N 0.367 123.084 122.820 -0.173 0.000 2.251 301 A HA 0.297 4.642 4.320 0.043 0.000 0.278 301 A C -0.230 177.350 177.584 -0.008 0.000 1.206 301 A CA -0.578 51.428 52.037 -0.051 0.000 0.822 301 A CB -0.470 18.528 19.000 -0.003 0.000 1.187 301 A HN 0.170 nan 8.150 nan 0.000 0.504 302 F N 1.718 121.616 119.950 -0.088 0.000 2.578 302 F HA 0.287 4.840 4.527 0.044 0.000 0.381 302 F C -1.671 174.095 175.800 -0.056 0.000 1.069 302 F CA -1.457 56.478 58.000 -0.109 0.000 1.231 302 F CB 0.608 39.509 39.000 -0.165 0.000 1.086 302 F HN 0.252 nan 8.300 nan 0.000 0.564 303 P HA 0.003 nan 4.420 nan 0.000 0.280 303 P C 0.256 177.498 177.300 -0.097 0.000 1.244 303 P CA -0.149 62.816 63.100 -0.224 0.000 0.784 303 P CB 1.572 33.132 31.700 -0.233 0.000 0.913 304 T N 1.085 115.687 114.554 0.080 0.000 2.881 304 T HA -0.118 4.257 4.350 0.043 0.000 0.270 304 T C 0.948 175.744 174.700 0.160 0.000 1.068 304 T CA 1.524 63.735 62.100 0.184 0.000 1.131 304 T CB -0.663 68.344 68.868 0.232 0.000 0.871 304 T HN 0.321 nan 8.240 nan 0.000 0.479 305 D N 0.412 120.861 120.400 0.082 0.000 2.371 305 D HA 0.041 4.707 4.640 0.043 0.000 0.221 305 D C 1.334 177.664 176.300 0.050 0.000 0.986 305 D CA 0.513 54.548 54.000 0.058 0.000 0.899 305 D CB 0.101 40.918 40.800 0.028 0.000 0.902 305 D HN 0.413 nan 8.370 nan 0.000 0.530 306 M N -0.172 119.444 119.600 0.026 0.000 2.313 306 M HA 0.053 4.558 4.480 0.043 0.000 0.273 306 M C 1.670 178.217 176.300 0.413 0.000 1.049 306 M CA 0.089 55.456 55.300 0.112 0.000 1.004 306 M CB 0.409 32.883 32.600 -0.211 0.000 1.461 306 M HN -0.040 nan 8.290 nan 0.000 0.514 307 Q N 1.109 121.152 119.800 0.405 0.000 2.020 307 Q HA -0.122 4.244 4.340 0.043 0.000 0.202 307 Q C 1.760 177.922 176.000 0.270 0.000 0.982 307 Q CA 2.231 58.303 55.803 0.447 0.000 0.838 307 Q CB 0.054 29.018 28.738 0.376 0.000 0.899 307 Q HN 0.453 nan 8.270 nan 0.000 0.423 308 A N 0.553 123.391 122.820 0.029 0.000 1.902 308 A HA -0.249 4.097 4.320 0.043 0.000 0.217 308 A C 2.000 179.496 177.584 -0.147 0.000 1.181 308 A CA 1.802 53.570 52.037 -0.448 0.000 0.623 308 A CB -0.518 18.061 19.000 -0.701 0.000 0.818 308 A HN 0.486 nan 8.150 nan 0.000 0.443 309 Q N -1.205 118.618 119.800 0.039 0.000 2.084 309 Q HA -0.078 4.288 4.340 0.043 0.000 0.202 309 Q C 1.608 177.660 176.000 0.086 0.000 0.978 309 Q CA 1.638 57.477 55.803 0.061 0.000 0.844 309 Q CB -0.460 28.348 28.738 0.117 0.000 0.898 309 Q HN 0.682 nan 8.270 nan 0.000 0.426 310 F N -0.031 119.983 119.950 0.107 0.000 2.407 310 F HA -0.074 4.478 4.527 0.041 0.000 0.299 310 F C 2.087 177.907 175.800 0.034 0.000 1.097 310 F CA 1.000 59.054 58.000 0.089 0.000 1.422 310 F CB -0.264 38.803 39.000 0.112 0.000 1.067 310 F HN 0.018 nan 8.300 nan 0.000 0.539 311 T N 0.415 115.088 114.554 0.198 0.000 2.777 311 T HA -0.168 4.207 4.350 0.043 0.000 0.266 311 T C 2.029 176.773 174.700 0.074 0.000 1.040 311 T CA 1.205 63.395 62.100 0.150 0.000 1.141 311 T CB -0.469 68.587 68.868 0.313 0.000 0.868 311 T HN 0.126 nan 8.240 nan 0.000 0.444 312 L N 1.448 122.700 121.223 0.047 0.000 1.994 312 L HA 0.053 4.419 4.340 0.043 0.000 0.208 312 L C 2.232 179.074 176.870 -0.047 0.000 1.071 312 L CA 1.566 56.404 54.840 -0.003 0.000 0.745 312 L CB -1.068 40.972 42.059 -0.031 0.000 0.892 312 L HN 0.266 nan 8.230 nan 0.000 0.431 313 L N -0.294 120.868 121.223 -0.103 0.000 2.013 313 L HA -0.294 4.071 4.340 0.043 0.000 0.212 313 L C 2.253 179.075 176.870 -0.080 0.000 1.073 313 L CA 1.922 56.673 54.840 -0.148 0.000 0.753 313 L CB -0.559 41.299 42.059 -0.334 0.000 0.890 313 L HN 0.421 nan 8.230 nan 0.000 0.432 314 N N -0.104 118.571 118.700 -0.042 0.000 2.244 314 N HA -0.140 4.625 4.740 0.043 0.000 0.183 314 N C 1.814 177.307 175.510 -0.028 0.000 1.016 314 N CA 1.320 54.355 53.050 -0.024 0.000 0.866 314 N CB -0.322 38.156 38.487 -0.015 0.000 0.980 314 N HN 0.395 nan 8.380 nan 0.000 0.430 315 L N 0.489 121.696 121.223 -0.027 0.000 2.362 315 L HA -0.037 4.328 4.340 0.043 0.000 0.219 315 L C 1.422 178.275 176.870 -0.029 0.000 1.134 315 L CA 0.555 55.379 54.840 -0.027 0.000 0.807 315 L CB -0.044 41.998 42.059 -0.029 0.000 0.927 315 L HN 0.068 nan 8.230 nan 0.000 0.447 316 V N -4.717 115.178 119.914 -0.031 0.000 3.176 316 V HA 0.532 4.677 4.120 0.043 0.000 0.332 316 V C 0.704 176.786 176.094 -0.019 0.000 1.414 316 V CA -0.249 62.034 62.300 -0.028 0.000 1.133 316 V CB -0.309 31.493 31.823 -0.036 0.000 1.088 316 V HN 0.103 nan 8.190 nan 0.000 0.473 317 A N 0.365 123.176 122.820 -0.015 0.000 2.248 317 A HA 0.742 5.088 4.320 0.043 0.000 0.316 317 A C -0.028 177.561 177.584 0.008 0.000 1.101 317 A CA -0.680 51.353 52.037 -0.008 0.000 0.875 317 A CB 0.603 19.596 19.000 -0.013 0.000 1.207 317 A HN 0.549 nan 8.150 nan 0.000 0.504 318 E N -0.247 119.961 120.200 0.012 0.000 2.200 318 E HA 0.488 4.864 4.350 0.043 0.000 0.283 318 E C 0.367 176.980 176.600 0.022 0.000 1.015 318 E CA 0.608 57.020 56.400 0.021 0.000 0.819 318 E CB 1.128 30.840 29.700 0.019 0.000 1.081 318 E HN 1.307 nan 8.360 nan 0.000 0.397 319 G N 2.164 110.983 108.800 0.032 0.000 2.549 319 G HA2 -0.176 3.809 3.960 0.043 0.000 0.404 319 G HA3 -0.176 3.809 3.960 0.043 0.000 0.404 319 G C -0.624 174.291 174.900 0.026 0.000 1.292 319 G CA -0.935 44.183 45.100 0.031 0.000 0.935 319 G HN 0.423 nan 8.290 nan 0.000 0.512 320 T N 1.133 115.693 114.554 0.010 0.000 2.743 320 T HA 0.642 5.018 4.350 0.043 0.000 0.292 320 T C 0.672 175.330 174.700 -0.069 0.000 0.972 320 T CA 0.513 62.587 62.100 -0.045 0.000 0.967 320 T CB 1.324 70.183 68.868 -0.016 0.000 0.926 320 T HN 1.459 nan 8.240 nan 0.000 0.459 321 G N 1.659 110.396 108.800 -0.105 0.000 2.388 321 G HA2 0.610 4.595 3.960 0.043 0.000 0.330 321 G HA3 0.610 4.595 3.960 0.043 0.000 0.330 321 G C -1.040 173.795 174.900 -0.108 0.000 1.142 321 G CA -0.518 44.535 45.100 -0.079 0.000 0.908 321 G HN 0.639 nan 8.290 nan 0.000 0.473 322 V N 3.380 123.245 119.914 -0.081 0.000 2.487 322 V HA 0.411 4.556 4.120 0.043 0.000 0.298 322 V C -0.562 175.490 176.094 -0.070 0.000 1.028 322 V CA -0.796 61.455 62.300 -0.083 0.000 0.860 322 V CB 1.588 33.374 31.823 -0.062 0.000 0.991 322 V HN 0.558 nan 8.190 nan 0.000 0.427 323 I N 3.633 124.166 120.570 -0.062 0.000 2.389 323 I HA 0.434 4.629 4.170 0.043 0.000 0.288 323 I C 0.102 176.269 176.117 0.084 0.000 0.999 323 I CA -0.047 61.244 61.300 -0.015 0.000 1.129 323 I CB 1.765 39.779 38.000 0.024 0.000 1.288 323 I HN 0.516 nan 8.210 nan 0.000 0.444 324 T N 5.038 119.641 114.554 0.083 0.000 2.770 324 T HA 0.280 4.655 4.350 0.043 0.000 0.283 324 T C -0.123 174.665 174.700 0.146 0.000 0.988 324 T CA -0.455 61.727 62.100 0.137 0.000 0.957 324 T CB 1.556 70.459 68.868 0.058 0.000 0.930 324 T HN 0.433 nan 8.240 nan 0.000 0.443 325 E N 2.114 122.423 120.200 0.182 0.000 2.092 325 E HA 0.354 4.730 4.350 0.043 0.000 0.271 325 E C 0.965 177.557 176.600 -0.013 0.000 0.919 325 E CA -0.567 55.869 56.400 0.059 0.000 0.760 325 E CB 0.693 30.327 29.700 -0.109 0.000 1.106 325 E HN 0.637 nan 8.360 nan 0.000 0.408 326 T N 2.223 116.770 114.554 -0.012 0.000 3.040 326 T HA 0.152 4.528 4.350 0.043 0.000 0.250 326 T C 1.259 175.895 174.700 -0.106 0.000 1.058 326 T CA -0.055 62.017 62.100 -0.046 0.000 0.988 326 T CB -0.003 68.847 68.868 -0.029 0.000 0.993 326 T HN 0.383 nan 8.240 nan 0.000 0.519 327 I N 0.073 120.555 120.570 -0.147 0.000 2.364 327 I HA 0.345 4.541 4.170 0.043 0.000 0.241 327 I C 0.357 176.155 176.117 -0.532 0.000 1.082 327 I CA 0.321 61.402 61.300 -0.365 0.000 1.401 327 I CB -0.753 36.978 38.000 -0.448 0.000 1.126 327 I HN 0.208 nan 8.210 nan 0.000 0.429 328 F N 2.086 121.997 119.950 -0.065 0.000 2.469 328 F HA 0.220 4.774 4.527 0.044 0.000 0.332 328 F C 1.562 177.278 175.800 -0.140 0.000 1.103 328 F CA -0.746 57.203 58.000 -0.085 0.000 0.979 328 F CB 1.210 40.165 39.000 -0.074 0.000 1.137 328 F HN 0.044 nan 8.300 nan 0.000 0.463 329 E N 1.205 121.445 120.200 0.068 0.000 2.482 329 E HA -0.132 4.244 4.350 0.043 0.000 0.196 329 E C -0.267 176.291 176.600 -0.072 0.000 1.047 329 E CA 0.688 57.068 56.400 -0.032 0.000 0.869 329 E CB -0.045 29.648 29.700 -0.011 0.000 0.836 329 E HN 0.717 nan 8.360 nan 0.000 0.520 330 N N 0.493 119.163 118.700 -0.051 0.000 2.672 330 N HA 0.112 4.877 4.740 0.043 0.000 0.295 330 N C -0.640 174.821 175.510 -0.083 0.000 1.924 330 N CA -0.189 52.818 53.050 -0.072 0.000 0.851 330 N CB 0.449 38.919 38.487 -0.028 0.000 1.281 330 N HN -0.056 nan 8.380 nan 0.000 0.494 331 R N 1.030 121.421 120.500 -0.181 0.000 2.997 331 R HA 0.260 4.626 4.340 0.043 0.000 0.358 331 R C -0.594 175.765 176.300 0.098 0.000 1.191 331 R CA -0.151 55.913 56.100 -0.060 0.000 1.113 331 R CB -0.079 30.215 30.300 -0.010 0.000 1.433 331 R HN 0.290 nan 8.270 nan 0.000 0.584 332 F N -0.346 119.636 119.950 0.053 0.000 2.775 332 F HA 0.153 4.705 4.527 0.042 0.000 0.313 332 F C 1.328 176.962 175.800 -0.277 0.000 1.121 332 F CA -0.470 57.439 58.000 -0.152 0.000 1.206 332 F CB 0.702 39.630 39.000 -0.119 0.000 1.052 332 F HN 0.093 nan 8.300 nan 0.000 0.524 333 M N 0.289 119.945 119.600 0.094 0.000 2.358 333 M HA -0.201 4.304 4.480 0.043 0.000 0.264 333 M C 2.384 178.689 176.300 0.008 0.000 1.064 333 M CA 1.401 56.722 55.300 0.035 0.000 1.093 333 M CB -0.592 32.030 32.600 0.036 0.000 1.401 333 M HN 0.320 nan 8.290 nan 0.000 0.440 334 H N -1.209 117.892 119.070 0.052 0.000 2.462 334 H HA 0.041 4.623 4.556 0.043 0.000 0.292 334 H C 2.021 177.359 175.328 0.016 0.000 1.049 334 H CA 1.048 57.109 56.048 0.022 0.000 1.334 334 H CB -1.137 28.642 29.762 0.028 0.000 1.404 334 H HN 0.239 nan 8.280 nan 0.000 0.544 335 V N 2.411 122.052 119.914 -0.455 0.000 2.287 335 V HA -0.174 3.971 4.120 0.043 0.000 0.248 335 V C -0.282 175.742 176.094 -0.116 0.000 1.053 335 V CA 2.210 64.340 62.300 -0.285 0.000 1.027 335 V CB -1.382 30.225 31.823 -0.360 0.000 0.646 335 V HN 0.410 nan 8.190 nan 0.000 0.447 336 P HA -0.102 nan 4.420 nan 0.000 0.218 336 P C 1.569 178.858 177.300 -0.020 0.000 1.149 336 P CA 1.123 64.200 63.100 -0.037 0.000 0.817 336 P CB -0.002 31.684 31.700 -0.022 0.000 0.785 337 E N -0.361 119.832 120.200 -0.011 0.000 2.046 337 E HA -0.068 4.307 4.350 0.043 0.000 0.190 337 E C 2.142 178.743 176.600 0.001 0.000 0.982 337 E CA 0.928 57.330 56.400 0.003 0.000 0.800 337 E CB -1.001 28.709 29.700 0.018 0.000 0.756 337 E HN 0.304 nan 8.360 nan 0.000 0.449 338 L N 0.663 121.888 121.223 0.004 0.000 2.131 338 L HA -0.111 4.254 4.340 0.043 0.000 0.210 338 L C 2.481 179.333 176.870 -0.030 0.000 1.092 338 L CA 0.676 55.513 54.840 -0.004 0.000 0.759 338 L CB -0.334 41.733 42.059 0.015 0.000 0.903 338 L HN 0.085 nan 8.230 nan 0.000 0.435 339 I N -0.578 119.974 120.570 -0.030 0.000 2.454 339 I HA -0.269 3.926 4.170 0.043 0.000 0.254 339 I C 2.563 178.666 176.117 -0.023 0.000 1.156 339 I CA 1.065 62.347 61.300 -0.029 0.000 1.433 339 I CB -0.272 37.722 38.000 -0.010 0.000 1.082 339 I HN 0.223 nan 8.210 nan 0.000 0.432 340 R N 0.315 120.806 120.500 -0.015 0.000 2.189 340 R HA -0.024 4.342 4.340 0.043 0.000 0.223 340 R C 1.712 178.002 176.300 -0.016 0.000 1.092 340 R CA 0.966 57.061 56.100 -0.008 0.000 0.989 340 R CB -0.048 30.251 30.300 -0.002 0.000 0.876 340 R HN 0.356 nan 8.270 nan 0.000 0.457 341 M N -0.741 118.842 119.600 -0.027 0.000 2.530 341 M HA 0.181 4.687 4.480 0.043 0.000 0.231 341 M C 0.631 176.893 176.300 -0.062 0.000 1.180 341 M CA 0.330 55.610 55.300 -0.034 0.000 0.985 341 M CB 1.314 33.897 32.600 -0.028 0.000 1.623 341 M HN 0.379 nan 8.290 nan 0.000 0.475 342 G N 0.459 109.210 108.800 -0.083 0.000 2.176 342 G HA2 -0.198 3.787 3.960 0.043 0.000 0.232 342 G HA3 -0.198 3.787 3.960 0.043 0.000 0.232 342 G C 0.238 174.929 174.900 -0.348 0.000 0.986 342 G CA -0.035 44.973 45.100 -0.154 0.000 0.643 342 G HN 0.664 nan 8.290 nan 0.000 0.522 343 A N 0.392 123.061 122.820 -0.252 0.000 2.406 343 A HA 0.617 4.963 4.320 0.043 0.000 0.243 343 A C 0.114 177.502 177.584 -0.326 0.000 1.082 343 A CA 0.094 51.964 52.037 -0.279 0.000 0.786 343 A CB 0.224 19.156 19.000 -0.114 0.000 1.029 343 A HN 0.554 nan 8.150 nan 0.000 0.495 344 H N -0.109 118.981 119.070 0.033 0.000 2.800 344 H HA 0.683 5.265 4.556 0.043 0.000 0.322 344 H C -0.195 175.193 175.328 0.099 0.000 0.979 344 H CA 0.230 56.318 56.048 0.067 0.000 1.277 344 H CB 1.218 31.033 29.762 0.089 0.000 1.484 344 H HN 0.943 nan 8.280 nan 0.000 0.512 345 A N 2.686 125.614 122.820 0.180 0.000 2.612 345 A HA 0.654 4.999 4.320 0.043 0.000 0.293 345 A C -1.215 176.396 177.584 0.046 0.000 1.075 345 A CA -0.824 51.255 52.037 0.071 0.000 0.680 345 A CB 1.915 20.882 19.000 -0.054 0.000 1.279 345 A HN 0.526 nan 8.150 nan 0.000 0.411 346 E N 0.340 120.540 120.200 -0.001 0.000 2.256 346 E HA 0.599 4.975 4.350 0.043 0.000 0.268 346 E C -1.223 175.334 176.600 -0.072 0.000 0.877 346 E CA -0.202 56.193 56.400 -0.008 0.000 0.757 346 E CB 2.098 31.823 29.700 0.042 0.000 1.183 346 E HN 0.536 nan 8.360 nan 0.000 0.418 347 I N 2.136 122.666 120.570 -0.066 0.000 2.331 347 I HA 0.315 4.510 4.170 0.043 0.000 0.292 347 I C -0.270 175.850 176.117 0.005 0.000 0.998 347 I CA -0.555 60.703 61.300 -0.069 0.000 1.267 347 I CB 1.246 39.226 38.000 -0.032 0.000 1.386 347 I HN 0.374 nan 8.210 nan 0.000 0.476 348 E N 5.106 125.322 120.200 0.026 0.000 2.267 348 E HA 0.366 4.742 4.350 0.043 0.000 0.248 348 E C -0.015 176.632 176.600 0.079 0.000 0.899 348 E CA 0.068 56.493 56.400 0.042 0.000 0.764 348 E CB 1.192 30.906 29.700 0.025 0.000 1.227 348 E HN 0.653 nan 8.360 nan 0.000 0.421 349 S N 3.911 119.661 115.700 0.084 0.000 4.114 349 S HA -0.316 4.180 4.470 0.043 0.000 0.618 349 S C 0.659 175.355 174.600 0.160 0.000 1.937 349 S CA 1.809 60.063 58.200 0.091 0.000 4.228 349 S CB -1.166 62.071 63.200 0.062 0.000 0.216 349 S HN 0.762 nan 8.310 nan 0.000 0.528 350 N N 1.829 120.617 118.700 0.147 0.000 2.327 350 N HA 0.263 5.028 4.740 0.043 0.000 0.231 350 N C -0.477 175.253 175.510 0.367 0.000 1.130 350 N CA 0.355 53.526 53.050 0.201 0.000 0.845 350 N CB 0.112 38.626 38.487 0.046 0.000 1.073 350 N HN 0.438 nan 8.380 nan 0.000 0.496 351 T N 0.118 114.861 114.554 0.315 0.000 2.861 351 T HA 0.406 4.782 4.350 0.043 0.000 0.287 351 T C -0.732 173.955 174.700 -0.021 0.000 1.003 351 T CA -0.478 61.730 62.100 0.180 0.000 0.977 351 T CB 2.503 71.415 68.868 0.073 0.000 0.996 351 T HN -0.120 nan 8.240 nan 0.000 0.448 352 V N 4.402 124.183 119.914 -0.222 0.000 2.384 352 V HA 0.485 4.630 4.120 0.043 0.000 0.287 352 V C -0.155 175.807 176.094 -0.221 0.000 1.020 352 V CA -0.793 61.276 62.300 -0.385 0.000 0.850 352 V CB 1.337 32.751 31.823 -0.682 0.000 0.987 352 V HN 0.779 nan 8.190 nan 0.000 0.436 353 I N 4.375 124.835 120.570 -0.184 0.000 2.315 353 I HA 0.347 4.542 4.170 0.043 0.000 0.291 353 I C -0.163 175.763 176.117 -0.318 0.000 1.006 353 I CA -0.038 61.137 61.300 -0.209 0.000 1.265 353 I CB 0.964 38.881 38.000 -0.139 0.000 1.387 353 I HN 0.544 nan 8.210 nan 0.000 0.475 354 C N 5.454 124.539 119.300 -0.358 0.000 2.376 354 C HA 0.440 4.926 4.460 0.043 0.000 0.335 354 C C 0.084 174.771 174.990 -0.504 0.000 1.229 354 C CA -0.596 58.227 59.018 -0.325 0.000 1.867 354 C CB 0.377 28.022 27.740 -0.158 0.000 2.319 354 C HN 0.622 nan 8.230 nan 0.000 0.515 355 H N 1.322 120.409 119.070 0.028 0.000 2.675 355 H HA 0.266 4.847 4.556 0.043 0.000 0.258 355 H C 0.607 175.973 175.328 0.063 0.000 1.271 355 H CA -0.024 56.053 56.048 0.049 0.000 1.462 355 H CB 0.825 30.630 29.762 0.070 0.000 1.467 355 H HN 0.959 nan 8.280 nan 0.000 0.501 356 G N 1.757 110.609 108.800 0.086 0.000 2.368 356 G HA2 0.229 4.215 3.960 0.043 0.000 0.233 356 G HA3 0.229 4.215 3.960 0.043 0.000 0.233 356 G C 0.549 175.493 174.900 0.073 0.000 1.267 356 G CA -0.015 45.117 45.100 0.053 0.000 0.873 356 G HN 0.402 nan 8.290 nan 0.000 0.539 357 V N 0.268 120.199 119.914 0.030 0.000 3.019 357 V HA 0.639 4.785 4.120 0.043 0.000 0.317 357 V C 1.144 177.242 176.094 0.006 0.000 1.094 357 V CA -0.459 61.857 62.300 0.027 0.000 1.000 357 V CB 1.870 33.674 31.823 -0.031 0.000 1.060 357 V HN 0.767 nan 8.190 nan 0.000 0.443 358 E N 1.630 121.838 120.200 0.012 0.000 2.005 358 E HA -0.083 4.292 4.350 0.043 0.000 0.198 358 E C 0.373 176.968 176.600 -0.008 0.000 1.010 358 E CA 1.797 58.200 56.400 0.005 0.000 0.825 358 E CB 0.148 29.854 29.700 0.010 0.000 0.769 358 E HN 0.694 nan 8.360 nan 0.000 0.456 359 K N -0.211 120.181 120.400 -0.013 0.000 2.426 359 K HA 0.377 4.723 4.320 0.043 0.000 0.251 359 K C -0.692 175.887 176.600 -0.034 0.000 0.941 359 K CA -0.636 55.639 56.287 -0.021 0.000 0.808 359 K CB 1.774 34.266 32.500 -0.013 0.000 1.265 359 K HN 0.129 nan 8.250 nan 0.000 0.432 360 L N 0.718 121.918 121.223 -0.038 0.000 2.416 360 L HA 0.415 4.780 4.340 0.043 0.000 0.262 360 L C 0.307 177.158 176.870 -0.032 0.000 1.093 360 L CA -0.614 54.198 54.840 -0.047 0.000 0.801 360 L CB 1.278 43.310 42.059 -0.044 0.000 1.191 360 L HN 0.454 nan 8.230 nan 0.000 0.459 361 S N -0.180 115.500 115.700 -0.032 0.000 2.475 361 S HA 0.473 4.969 4.470 0.043 0.000 0.298 361 S C 0.174 174.765 174.600 -0.015 0.000 1.119 361 S CA -0.686 57.502 58.200 -0.020 0.000 1.085 361 S CB 1.697 64.888 63.200 -0.016 0.000 1.028 361 S HN 0.767 nan 8.310 nan 0.000 0.489 362 G N 1.428 110.223 108.800 -0.009 0.000 2.432 362 G HA2 0.503 4.489 3.960 0.043 0.000 0.239 362 G HA3 0.503 4.489 3.960 0.043 0.000 0.239 362 G C -0.249 174.650 174.900 -0.001 0.000 1.291 362 G CA 0.110 45.208 45.100 -0.004 0.000 0.863 362 G HN 0.991 nan 8.290 nan 0.000 0.560 363 A N 1.973 124.794 122.820 0.003 0.000 2.586 363 A HA 0.661 5.006 4.320 0.043 0.000 0.290 363 A C -0.602 176.988 177.584 0.011 0.000 1.086 363 A CA -0.802 51.238 52.037 0.005 0.000 0.665 363 A CB 0.924 19.925 19.000 0.002 0.000 1.279 363 A HN 0.672 nan 8.150 nan 0.000 0.423 364 Q N 0.301 120.108 119.800 0.013 0.000 2.288 364 Q HA 0.515 4.880 4.340 0.043 0.000 0.258 364 Q C -0.097 175.912 176.000 0.015 0.000 0.957 364 Q CA -0.453 55.360 55.803 0.017 0.000 0.919 364 Q CB 1.456 30.205 28.738 0.018 0.000 1.185 364 Q HN 0.978 nan 8.270 nan 0.000 0.408 365 V N -0.592 119.332 119.914 0.017 0.000 3.160 365 V HA 0.693 4.838 4.120 0.043 0.000 0.310 365 V C -0.871 175.230 176.094 0.013 0.000 1.181 365 V CA -1.284 61.024 62.300 0.013 0.000 1.047 365 V CB 2.318 34.148 31.823 0.011 0.000 1.068 365 V HN 0.836 nan 8.190 nan 0.000 0.441 366 M N 2.237 121.842 119.600 0.009 0.000 2.253 366 M HA 0.811 5.317 4.480 0.043 0.000 0.314 366 M C -0.172 176.122 176.300 -0.010 0.000 1.019 366 M CA -0.652 54.652 55.300 0.007 0.000 0.932 366 M CB 1.675 34.286 32.600 0.018 0.000 1.606 366 M HN 1.237 nan 8.290 nan 0.000 0.430 367 A N 2.705 125.510 122.820 -0.025 0.000 2.440 367 A HA 0.466 4.811 4.320 0.043 0.000 0.251 367 A C 0.789 178.293 177.584 -0.133 0.000 1.089 367 A CA 0.073 52.063 52.037 -0.077 0.000 0.779 367 A CB 0.017 18.970 19.000 -0.080 0.000 1.022 367 A HN 0.959 nan 8.150 nan 0.000 0.492 368 T N -1.332 113.062 114.554 -0.266 0.000 2.969 368 T HA 0.333 4.708 4.350 0.043 0.000 0.250 368 T C 0.073 174.343 174.700 -0.717 0.000 1.021 368 T CA 0.681 62.581 62.100 -0.332 0.000 1.003 368 T CB -0.400 68.387 68.868 -0.134 0.000 1.040 368 T HN 0.848 nan 8.240 nan 0.000 0.492 369 D N -0.737 119.227 120.400 -0.726 0.000 2.665 369 D HA 0.429 5.094 4.640 0.043 0.000 0.287 369 D C 0.719 176.798 176.300 -0.368 0.000 1.266 369 D CA -0.966 52.658 54.000 -0.626 0.000 0.830 369 D CB 0.810 41.434 40.800 -0.294 0.000 1.356 369 D HN -0.103 nan 8.370 nan 0.000 0.437 370 L N 0.637 121.763 121.223 -0.161 0.000 1.951 370 L HA -0.160 4.205 4.340 0.043 0.000 0.222 370 L C 2.019 178.908 176.870 0.033 0.000 1.078 370 L CA 1.958 56.794 54.840 -0.006 0.000 0.778 370 L CB -0.705 41.370 42.059 0.028 0.000 0.893 370 L HN 0.497 nan 8.230 nan 0.000 0.436 371 R N 0.053 120.561 120.500 0.014 0.000 2.120 371 R HA -0.017 4.348 4.340 0.043 0.000 0.234 371 R C 2.195 178.461 176.300 -0.056 0.000 1.123 371 R CA 1.320 57.437 56.100 0.029 0.000 0.975 371 R CB -1.621 28.687 30.300 0.013 0.000 0.866 371 R HN 0.607 nan 8.270 nan 0.000 0.446 372 A N 1.377 124.143 122.820 -0.090 0.000 1.902 372 A HA -0.182 4.164 4.320 0.043 0.000 0.217 372 A C 2.383 179.917 177.584 -0.083 0.000 1.181 372 A CA 2.028 54.012 52.037 -0.089 0.000 0.623 372 A CB -0.636 18.347 19.000 -0.027 0.000 0.818 372 A HN 0.465 nan 8.150 nan 0.000 0.443 373 S N 0.370 116.007 115.700 -0.106 0.000 2.370 373 S HA -0.037 4.459 4.470 0.043 0.000 0.226 373 S C 2.093 176.626 174.600 -0.112 0.000 1.033 373 S CA 1.491 59.628 58.200 -0.104 0.000 1.011 373 S CB -0.749 62.384 63.200 -0.112 0.000 0.852 373 S HN 0.946 nan 8.310 nan 0.000 0.457 374 A N 1.568 124.300 122.820 -0.147 0.000 1.933 374 A HA 0.030 4.376 4.320 0.043 0.000 0.218 374 A C 2.455 179.924 177.584 -0.191 0.000 1.175 374 A CA 1.786 53.658 52.037 -0.276 0.000 0.628 374 A CB -1.121 17.616 19.000 -0.438 0.000 0.814 374 A HN 0.575 nan 8.150 nan 0.000 0.444 375 S N -0.097 115.525 115.700 -0.130 0.000 2.383 375 S HA -0.026 4.469 4.470 0.043 0.000 0.227 375 S C 1.768 176.330 174.600 -0.064 0.000 1.026 375 S CA 1.228 59.367 58.200 -0.101 0.000 0.981 375 S CB -0.386 62.748 63.200 -0.109 0.000 0.818 375 S HN 0.522 nan 8.310 nan 0.000 0.472 376 L N 1.025 122.221 121.223 -0.044 0.000 2.141 376 L HA -0.052 4.314 4.340 0.043 0.000 0.209 376 L C 2.253 179.117 176.870 -0.011 0.000 1.094 376 L CA 0.719 55.550 54.840 -0.016 0.000 0.763 376 L CB -0.648 41.408 42.059 -0.006 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.170 120.074 119.914 -0.017 0.000 2.307 377 V HA -0.259 3.886 4.120 0.043 0.000 0.245 377 V C 2.399 178.474 176.094 -0.031 0.000 1.045 377 V CA 1.476 63.787 62.300 0.019 0.000 1.024 377 V CB -0.286 31.571 31.823 0.057 0.000 0.651 377 V HN 0.340 nan 8.190 nan 0.000 0.449 378 L N 0.108 121.286 121.223 -0.075 0.000 2.083 378 L HA -0.155 4.211 4.340 0.043 0.000 0.209 378 L C 2.737 179.575 176.870 -0.053 0.000 1.083 378 L CA 1.520 56.311 54.840 -0.081 0.000 0.752 378 L CB -0.852 41.139 42.059 -0.112 0.000 0.899 378 L HN 0.374 nan 8.230 nan 0.000 0.433 379 A N 0.476 123.270 122.820 -0.043 0.000 1.933 379 A HA -0.130 4.216 4.320 0.043 0.000 0.218 379 A C 2.400 179.970 177.584 -0.023 0.000 1.175 379 A CA 1.723 53.742 52.037 -0.031 0.000 0.628 379 A CB -1.165 17.823 19.000 -0.020 0.000 0.814 379 A HN 0.444 nan 8.150 nan 0.000 0.444 380 G N -1.170 107.621 108.800 -0.015 0.000 2.422 380 G HA2 -0.213 3.773 3.960 0.043 0.000 0.218 380 G HA3 -0.213 3.773 3.960 0.043 0.000 0.218 380 G C 1.477 176.367 174.900 -0.017 0.000 1.140 380 G CA 1.245 46.341 45.100 -0.008 0.000 0.775 380 G HN 0.527 nan 8.290 nan 0.000 0.545 381 C N 0.659 119.944 119.300 -0.026 0.000 2.432 381 C HA 0.084 4.570 4.460 0.043 0.000 0.280 381 C C 2.501 177.477 174.990 -0.024 0.000 1.353 381 C CA 0.797 59.798 59.018 -0.029 0.000 1.766 381 C CB -0.822 26.898 27.740 -0.034 0.000 1.924 381 C HN 0.662 nan 8.230 nan 0.000 0.509 382 I N -1.545 119.009 120.570 -0.026 0.000 4.018 382 I HA 0.410 4.606 4.170 0.043 0.000 0.337 382 I C 0.924 177.028 176.117 -0.021 0.000 1.327 382 I CA -0.159 61.127 61.300 -0.024 0.000 1.100 382 I CB -0.353 37.630 38.000 -0.028 0.000 1.025 382 I HN 0.052 nan 8.210 nan 0.000 0.396 383 A N 1.643 124.450 122.820 -0.020 0.000 2.287 383 A HA 0.433 4.779 4.320 0.043 0.000 0.273 383 A C 0.048 177.623 177.584 -0.015 0.000 1.091 383 A CA -0.363 51.662 52.037 -0.019 0.000 0.817 383 A CB 0.332 19.321 19.000 -0.018 0.000 1.069 383 A HN 0.292 nan 8.150 nan 0.000 0.492 384 E N 0.557 120.749 120.200 -0.013 0.000 2.180 384 E HA 0.452 4.828 4.350 0.043 0.000 0.283 384 E C 0.800 177.396 176.600 -0.007 0.000 1.061 384 E CA 1.172 57.566 56.400 -0.010 0.000 0.861 384 E CB 0.517 30.212 29.700 -0.008 0.000 1.056 384 E HN 1.312 nan 8.360 nan 0.000 0.407 385 G N 3.427 112.224 108.800 -0.006 0.000 2.466 385 G HA2 -0.207 3.779 3.960 0.043 0.000 0.218 385 G HA3 -0.207 3.779 3.960 0.043 0.000 0.218 385 G C -0.451 174.447 174.900 -0.003 0.000 1.237 385 G CA -0.462 44.635 45.100 -0.004 0.000 0.954 385 G HN 0.458 nan 8.290 nan 0.000 0.580 386 T N 1.313 115.867 114.554 0.000 0.000 2.795 386 T HA 0.677 5.052 4.350 0.043 0.000 0.282 386 T C -0.202 174.503 174.700 0.008 0.000 0.980 386 T CA 0.358 62.460 62.100 0.004 0.000 1.012 386 T CB 1.548 70.420 68.868 0.007 0.000 0.936 386 T HN 0.737 nan 8.240 nan 0.000 0.457 387 T N 2.678 117.239 114.554 0.012 0.000 2.824 387 T HA 0.529 4.904 4.350 0.043 0.000 0.282 387 T C -0.554 174.168 174.700 0.036 0.000 0.993 387 T CA -0.517 61.594 62.100 0.019 0.000 0.967 387 T CB 1.258 70.135 68.868 0.016 0.000 0.960 387 T HN 0.324 nan 8.240 nan 0.000 0.441 388 V N 4.007 123.945 119.914 0.039 0.000 2.350 388 V HA 0.382 4.527 4.120 0.043 0.000 0.285 388 V C -0.199 175.927 176.094 0.053 0.000 1.014 388 V CA -0.770 61.563 62.300 0.055 0.000 0.831 388 V CB 1.616 33.465 31.823 0.044 0.000 1.000 388 V HN 0.719 nan 8.190 nan 0.000 0.433 389 V N 4.090 124.049 119.914 0.075 0.000 2.318 389 V HA 0.294 4.440 4.120 0.043 0.000 0.271 389 V C 0.104 176.202 176.094 0.007 0.000 1.030 389 V CA -0.407 61.917 62.300 0.040 0.000 0.844 389 V CB 1.343 33.195 31.823 0.048 0.000 1.015 389 V HN 0.884 nan 8.190 nan 0.000 0.460 390 D N 3.995 124.398 120.400 0.005 0.000 2.344 390 D HA 0.297 4.963 4.640 0.043 0.000 0.244 390 D C 0.838 177.127 176.300 -0.017 0.000 1.134 390 D CA -0.157 53.847 54.000 0.005 0.000 0.930 390 D CB 0.502 41.318 40.800 0.026 0.000 1.175 390 D HN 0.507 nan 8.370 nan 0.000 0.437 391 R N 1.477 121.979 120.500 0.004 0.000 3.422 391 R HA -0.190 4.176 4.340 0.043 0.000 0.267 391 R C 0.882 177.043 176.300 -0.231 0.000 1.074 391 R CA 0.584 56.681 56.100 -0.005 0.000 0.718 391 R CB -2.240 28.081 30.300 0.035 0.000 1.157 391 R HN 0.460 nan 8.270 nan 0.000 0.440 392 I N -2.091 118.330 120.570 -0.249 0.000 3.456 392 I HA -0.122 4.074 4.170 0.043 0.000 0.291 392 I C 1.949 177.859 176.117 -0.346 0.000 1.307 392 I CA 0.586 61.637 61.300 -0.415 0.000 1.333 392 I CB -0.964 36.500 38.000 -0.893 0.000 1.032 392 I HN 0.322 nan 8.210 nan 0.000 0.506 393 Y N -0.403 119.768 120.300 -0.214 0.000 2.333 393 Y HA -0.178 4.394 4.550 0.036 0.000 0.290 393 Y C 2.312 178.123 175.900 -0.148 0.000 1.144 393 Y CA 1.249 59.237 58.100 -0.187 0.000 1.228 393 Y CB -1.494 36.842 38.460 -0.206 0.000 0.985 393 Y HN 0.204 nan 8.280 nan 0.000 0.542 394 H N 0.554 119.197 119.070 -0.712 0.000 2.387 394 H HA -0.158 4.424 4.556 0.043 0.000 0.299 394 H C 2.294 177.529 175.328 -0.154 0.000 1.099 394 H CA 1.925 57.702 56.048 -0.451 0.000 1.315 394 H CB -0.240 29.231 29.762 -0.485 0.000 1.380 394 H HN 0.518 nan 8.280 nan 0.000 0.513 395 I N 0.989 121.544 120.570 -0.025 0.000 2.546 395 I HA -0.185 4.010 4.170 0.043 0.000 0.255 395 I C 1.114 177.328 176.117 0.161 0.000 1.163 395 I CA 0.975 62.319 61.300 0.073 0.000 1.457 395 I CB 0.049 38.013 38.000 -0.059 0.000 1.092 395 I HN 0.057 nan 8.210 nan 0.000 0.434 396 D N 0.541 120.992 120.400 0.084 0.000 2.371 396 D HA -0.093 4.572 4.640 0.043 0.000 0.221 396 D C 2.037 178.402 176.300 0.107 0.000 0.986 396 D CA 0.482 54.549 54.000 0.113 0.000 0.899 396 D CB -0.053 40.800 40.800 0.087 0.000 0.902 396 D HN 0.402 nan 8.370 nan 0.000 0.530 397 R N -0.086 120.476 120.500 0.103 0.000 2.090 397 R HA 0.019 4.385 4.340 0.043 0.000 0.228 397 R C 1.854 178.178 176.300 0.040 0.000 1.110 397 R CA 1.189 57.335 56.100 0.077 0.000 0.973 397 R CB 0.115 30.463 30.300 0.081 0.000 0.869 397 R HN 0.096 nan 8.270 nan 0.000 0.440 398 G N -1.587 107.231 108.800 0.029 0.000 3.528 398 G HA2 0.117 4.103 3.960 0.043 0.000 0.266 398 G HA3 0.117 4.103 3.960 0.043 0.000 0.266 398 G C -0.602 174.089 174.900 -0.349 0.000 1.004 398 G CA -0.214 44.795 45.100 -0.152 0.000 0.853 398 G HN 0.062 nan 8.290 nan 0.000 0.501 399 Y N 0.533 120.868 120.300 0.059 0.000 2.338 399 Y HA 0.412 4.982 4.550 0.034 0.000 0.333 399 Y C -0.053 175.908 175.900 0.103 0.000 0.968 399 Y CA -1.180 56.974 58.100 0.089 0.000 1.123 399 Y CB 1.804 40.315 38.460 0.087 0.000 1.165 399 Y HN 0.021 nan 8.280 nan 0.000 0.452 400 E N 4.749 125.081 120.200 0.221 0.000 2.217 400 E HA 0.147 4.522 4.350 0.043 0.000 0.279 400 E C -0.205 176.511 176.600 0.192 0.000 1.068 400 E CA -0.386 56.112 56.400 0.164 0.000 0.882 400 E CB 0.325 30.090 29.700 0.109 0.000 1.039 400 E HN 0.492 nan 8.360 nan 0.000 0.418 401 R N 3.694 124.298 120.500 0.174 0.000 3.022 401 R HA -0.225 4.141 4.340 0.043 0.000 0.248 401 R C 0.647 177.065 176.300 0.198 0.000 0.874 401 R CA 0.405 56.602 56.100 0.163 0.000 0.626 401 R CB -1.887 28.479 30.300 0.109 0.000 1.255 401 R HN 0.809 nan 8.270 nan 0.000 0.496 402 I N 0.902 121.620 120.570 0.247 0.000 2.500 402 I HA -0.223 3.972 4.170 0.043 0.000 0.252 402 I C 2.205 178.411 176.117 0.148 0.000 1.142 402 I CA 1.546 62.996 61.300 0.250 0.000 1.451 402 I CB 0.190 38.289 38.000 0.164 0.000 1.093 402 I HN 0.517 nan 8.210 nan 0.000 0.430 403 E N 0.037 120.282 120.200 0.074 0.000 2.106 403 E HA -0.252 4.124 4.350 0.043 0.000 0.192 403 E C 1.284 177.853 176.600 -0.052 0.000 0.984 403 E CA 1.341 57.664 56.400 -0.129 0.000 0.806 403 E CB -0.352 29.170 29.700 -0.298 0.000 0.750 403 E HN 0.444 nan 8.360 nan 0.000 0.458 404 D N 1.628 122.036 120.400 0.015 0.000 2.097 404 D HA -0.081 4.584 4.640 0.043 0.000 0.197 404 D C 1.815 178.125 176.300 0.017 0.000 0.984 404 D CA 1.161 55.167 54.000 0.011 0.000 0.826 404 D CB -0.086 40.730 40.800 0.027 0.000 0.973 404 D HN 0.205 nan 8.370 nan 0.000 0.460 405 K N 0.197 120.630 120.400 0.056 0.000 2.097 405 K HA -0.023 4.322 4.320 0.043 0.000 0.206 405 K C 2.256 178.901 176.600 0.076 0.000 1.049 405 K CA 0.513 56.815 56.287 0.025 0.000 0.933 405 K CB -0.044 32.471 32.500 0.024 0.000 0.717 405 K HN 0.144 nan 8.250 nan 0.000 0.442 406 L N 0.379 121.688 121.223 0.144 0.000 2.109 406 L HA -0.091 4.275 4.340 0.043 0.000 0.207 406 L C 2.682 179.568 176.870 0.026 0.000 1.086 406 L CA 0.849 55.762 54.840 0.121 0.000 0.760 406 L CB -0.226 41.867 42.059 0.057 0.000 0.910 406 L HN 0.145 nan 8.230 nan 0.000 0.437 407 R N 0.367 120.860 120.500 -0.012 0.000 2.092 407 R HA -0.128 4.238 4.340 0.043 0.000 0.231 407 R C 2.155 178.443 176.300 -0.020 0.000 1.119 407 R CA 1.230 57.312 56.100 -0.031 0.000 0.970 407 R CB -0.147 30.125 30.300 -0.046 0.000 0.864 407 R HN 0.315 nan 8.270 nan 0.000 0.440 408 A N 0.294 123.104 122.820 -0.017 0.000 2.172 408 A HA -0.009 4.336 4.320 0.043 0.000 0.216 408 A C 1.676 179.246 177.584 -0.024 0.000 1.154 408 A CA 0.726 52.748 52.037 -0.026 0.000 0.701 408 A CB -0.094 18.883 19.000 -0.039 0.000 0.789 408 A HN 0.335 nan 8.150 nan 0.000 0.465 409 L N -1.817 119.401 121.223 -0.008 0.000 2.640 409 L HA 0.299 4.665 4.340 0.043 0.000 0.230 409 L C 1.458 178.328 176.870 -0.000 0.000 1.123 409 L CA 0.539 55.380 54.840 0.001 0.000 0.900 409 L CB 0.264 42.345 42.059 0.037 0.000 1.146 409 L HN 0.506 nan 8.230 nan 0.000 0.484 410 G N 0.080 108.875 108.800 -0.008 0.000 2.163 410 G HA2 -0.200 3.785 3.960 0.043 0.000 0.213 410 G HA3 -0.200 3.785 3.960 0.043 0.000 0.213 410 G C 0.323 175.213 174.900 -0.017 0.000 0.991 410 G CA -0.131 44.961 45.100 -0.013 0.000 0.653 410 G HN 0.411 nan 8.290 nan 0.000 0.518 411 A N 0.023 122.832 122.820 -0.019 0.000 2.388 411 A HA 0.608 4.954 4.320 0.043 0.000 0.257 411 A C 0.479 178.034 177.584 -0.048 0.000 1.095 411 A CA 0.084 52.101 52.037 -0.033 0.000 0.791 411 A CB 0.436 19.413 19.000 -0.039 0.000 1.029 411 A HN 0.512 nan 8.150 nan 0.000 0.489 412 N N 1.953 120.623 118.700 -0.049 0.000 2.589 412 N HA 0.400 5.166 4.740 0.043 0.000 0.232 412 N C -1.256 174.209 175.510 -0.076 0.000 1.015 412 N CA -0.010 53.009 53.050 -0.052 0.000 0.931 412 N CB 0.305 38.771 38.487 -0.036 0.000 1.150 412 N HN 0.672 nan 8.380 nan 0.000 0.512 413 I N 1.145 121.648 120.570 -0.112 0.000 2.802 413 I HA 0.431 4.626 4.170 0.043 0.000 0.298 413 I C -1.536 174.466 176.117 -0.192 0.000 1.176 413 I CA -0.657 60.535 61.300 -0.181 0.000 1.025 413 I CB 2.248 40.071 38.000 -0.294 0.000 1.243 413 I HN 0.426 nan 8.210 nan 0.000 0.424 414 E N 7.122 127.213 120.200 -0.182 0.000 2.304 414 E HA 0.329 4.705 4.350 0.043 0.000 0.277 414 E C -1.620 174.963 176.600 -0.028 0.000 0.898 414 E CA -0.926 55.409 56.400 -0.108 0.000 0.764 414 E CB 1.971 31.648 29.700 -0.039 0.000 1.216 414 E HN 0.667 nan 8.360 nan 0.000 0.419 415 R N 3.833 124.361 120.500 0.046 0.000 2.216 415 R HA 0.307 4.673 4.340 0.043 0.000 0.332 415 R C -0.337 176.060 176.300 0.162 0.000 1.056 415 R CA -0.303 55.957 56.100 0.266 0.000 0.901 415 R CB 0.584 31.086 30.300 0.337 0.000 1.039 415 R HN 0.403 nan 8.270 nan 0.000 0.456 416 V N 1.693 121.702 119.914 0.159 0.000 2.881 416 V HA 0.530 4.675 4.120 0.043 0.000 0.316 416 V C 0.038 176.180 176.094 0.080 0.000 1.070 416 V CA -0.946 61.411 62.300 0.095 0.000 0.976 416 V CB 2.087 33.954 31.823 0.074 0.000 1.038 416 V HN 0.643 nan 8.190 nan 0.000 0.446 417 K N 2.088 122.522 120.400 0.056 0.000 3.215 417 K HA 0.420 4.766 4.320 0.043 0.000 0.171 417 K C 1.587 178.208 176.600 0.035 0.000 1.127 417 K CA 0.676 56.988 56.287 0.042 0.000 1.421 417 K CB -1.039 31.480 32.500 0.032 0.000 1.962 417 K HN 1.784 nan 8.250 nan 0.000 0.478 418 G N 3.010 111.826 108.800 0.027 0.000 2.187 418 G HA2 -0.377 3.609 3.960 0.043 0.000 0.261 418 G HA3 -0.377 3.609 3.960 0.043 0.000 0.261 418 G C 0.052 174.964 174.900 0.021 0.000 1.000 418 G CA 1.536 46.650 45.100 0.023 0.000 0.718 418 G HN 0.615 nan 8.290 nan 0.000 0.519 419 E N 0.000 120.211 120.200 0.019 0.000 2.725 419 E HA 0.000 4.375 4.350 0.043 0.000 0.291 419 E CA 0.000 56.409 56.400 0.015 0.000 0.976 419 E CB 0.000 29.705 29.700 0.008 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440