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 2zw9_1_B DATA FIRST_RESID 22 DATA SEQUENCE YADLAIQGTN NSSIASKRSV ELLYLPKLSS ANNFQMDKNN KLLEYFKFFV DATA SEQUENCE PKKIKRSPCI NRGYWLRLFA IRSRLNSIIE QTPQDKKIVV VNLGCGYDPL DATA SEQUENCE PFQLLDTNNI QSQQYHDRVS FIDIDYSDLL KIKIELIKTI PELSKIIGLS DATA SEQUENCE XXXXXXXXXN VDFLTTPKYL ARPCDLNDSK MFSTLLNECQ LYDPNVVKVF DATA SEQUENCE VAEVSLAYMK PERSDSIIEA TSKMENSHFI ILEQLIPKGP FEPFSKQMLA DATA SEQUENCE HFKRNDSPLQ SVLKYNTIES QVQRFNKLGF AYVNVGDMFQ LWESADEATK DATA SEQUENCE KELLKVEPFD ELEEFHLFCH HYVLCHATNY KEFAFTQGFL FDRSISEINL DATA SEQUENCE TVDEDYQLLE CECPINRKFG DVDVAGNDVF YMGGSNPYRV NEILQLSIHY DATA SEQUENCE DKIDMKNIEV SSSEVPVARM CHTFTTISRN NQLLLIGGRK APHQGLSDNW DATA SEQUENCE IFDMKTREWS MIKSLSHTRF RHSACSLPDG NVLILGGVTE GPAMLLYNVT DATA SEQUENCE EEIFKDVTPK DEFFQNSLVS AGLEFDPVSK QGIILGGGFM DQTTVSDKAI DATA SEQUENCE IFKYDAENAT EPITVIKKLQ HPLFQRYGSQ IKYITPRKLL IVGGTSPSGL DATA SEQUENCE FDRTNSIISL DPLSETLTSI PISRRIWEDH SLMLAGFSLV STSMGTIHII DATA SEQUENCE GGGATCYGFG SVTNVGLKLI AIA 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.860 175.900 -0.067 0.000 1.272 22 Y CA 0.000 58.068 58.100 -0.053 0.000 1.940 22 Y CB 0.000 38.441 38.460 -0.031 0.000 1.050 23 A N 1.032 124.008 122.820 0.259 0.000 1.954 23 A HA -0.278 4.042 4.320 -0.000 0.000 0.222 23 A C 1.584 179.186 177.584 0.029 0.000 1.199 23 A CA 2.809 54.937 52.037 0.151 0.000 0.657 23 A CB -0.765 18.285 19.000 0.084 0.000 0.823 23 A HN 0.633 nan 8.150 nan 0.000 0.463 24 D N -0.635 119.702 120.400 -0.105 0.000 2.213 24 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 24 D C 1.834 177.902 176.300 -0.386 0.000 0.961 24 D CA 0.728 54.509 54.000 -0.366 0.000 0.853 24 D CB -0.258 40.130 40.800 -0.687 0.000 0.967 24 D HN 0.480 nan 8.370 nan 0.000 0.496 25 L N 0.386 121.435 121.223 -0.290 0.000 2.341 25 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 25 L C 2.229 178.953 176.870 -0.242 0.000 1.115 25 L CA 0.407 55.085 54.840 -0.271 0.000 0.820 25 L CB -0.121 41.772 42.059 -0.277 0.000 0.944 25 L HN -0.044 nan 8.230 nan 0.000 0.452 26 A N 0.113 122.791 122.820 -0.236 0.000 2.016 26 A HA 0.003 4.322 4.320 -0.000 0.000 0.217 26 A C 2.098 179.618 177.584 -0.106 0.000 1.162 26 A CA 0.763 52.708 52.037 -0.153 0.000 0.662 26 A CB -0.327 18.680 19.000 0.011 0.000 0.812 26 A HN 0.345 nan 8.150 nan 0.000 0.450 27 I N -0.573 119.925 120.570 -0.119 0.000 2.761 27 I HA -0.199 3.971 4.170 -0.000 0.000 0.261 27 I C 2.326 178.359 176.117 -0.140 0.000 1.198 27 I CA 0.805 61.977 61.300 -0.212 0.000 1.482 27 I CB -0.252 37.681 38.000 -0.112 0.000 1.100 27 I HN 0.413 nan 8.210 nan 0.000 0.445 28 Q N 0.620 120.387 119.800 -0.054 0.000 2.331 28 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 28 Q C 2.331 178.315 176.000 -0.026 0.000 0.944 28 Q CA 1.060 56.854 55.803 -0.015 0.000 0.892 28 Q CB -0.149 28.588 28.738 -0.003 0.000 0.983 28 Q HN 0.575 nan 8.270 nan 0.000 0.482 29 G N 1.135 109.914 108.800 -0.035 0.000 2.471 29 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 29 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 29 G C 1.589 176.520 174.900 0.052 0.000 1.125 29 G CA 1.301 46.405 45.100 0.008 0.000 0.775 29 G HN 0.456 nan 8.290 nan 0.000 0.548 30 T N -1.132 113.442 114.554 0.032 0.000 3.007 30 T HA -0.103 4.246 4.350 -0.000 0.000 0.270 30 T C 1.938 176.743 174.700 0.175 0.000 1.107 30 T CA 1.361 63.540 62.100 0.131 0.000 1.118 30 T CB -0.259 68.665 68.868 0.092 0.000 0.889 30 T HN 0.360 nan 8.240 nan 0.000 0.506 31 N N 1.674 120.435 118.700 0.102 0.000 2.216 31 N HA -0.071 4.668 4.740 -0.000 0.000 0.183 31 N C 1.936 177.546 175.510 0.166 0.000 1.017 31 N CA 1.052 54.162 53.050 0.099 0.000 0.861 31 N CB -0.328 38.118 38.487 -0.068 0.000 0.986 31 N HN 0.264 nan 8.380 nan 0.000 0.428 32 N N -0.236 118.572 118.700 0.181 0.000 2.149 32 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 32 N C 1.517 177.126 175.510 0.164 0.000 1.019 32 N CA 0.883 54.059 53.050 0.209 0.000 0.857 32 N CB -0.439 38.154 38.487 0.177 0.000 0.997 32 N HN 0.247 nan 8.380 nan 0.000 0.426 33 S N 0.134 115.931 115.700 0.160 0.000 2.377 33 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 33 S C 2.128 176.801 174.600 0.121 0.000 1.030 33 S CA 1.342 59.624 58.200 0.136 0.000 0.970 33 S CB -0.186 63.126 63.200 0.187 0.000 0.830 33 S HN 0.523 nan 8.310 nan 0.000 0.473 34 S N 0.657 116.492 115.700 0.225 0.000 2.406 34 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 34 S C 1.796 176.510 174.600 0.190 0.000 1.020 34 S CA 0.894 59.274 58.200 0.299 0.000 0.965 34 S CB -0.490 62.964 63.200 0.423 0.000 0.798 34 S HN 0.448 nan 8.310 nan 0.000 0.488 35 I N 2.088 122.776 120.570 0.196 0.000 2.500 35 I HA 0.224 4.394 4.170 -0.000 0.000 0.252 35 I C 2.470 178.668 176.117 0.135 0.000 1.142 35 I CA 0.626 62.068 61.300 0.236 0.000 1.451 35 I CB -0.786 37.400 38.000 0.310 0.000 1.093 35 I HN 0.350 nan 8.210 nan 0.000 0.430 36 A N -0.586 122.270 122.820 0.060 0.000 1.855 36 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 36 A C 2.418 179.908 177.584 -0.157 0.000 1.191 36 A CA 2.047 54.076 52.037 -0.013 0.000 0.613 36 A CB -1.131 17.864 19.000 -0.009 0.000 0.829 36 A HN 0.437 nan 8.150 nan 0.000 0.442 37 S N 0.041 115.549 115.700 -0.319 0.000 2.387 37 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 37 S C 1.914 176.192 174.600 -0.537 0.000 1.035 37 S CA 1.715 59.543 58.200 -0.620 0.000 1.014 37 S CB -0.270 62.079 63.200 -1.419 0.000 0.836 37 S HN 0.602 nan 8.310 nan 0.000 0.466 38 K N 0.637 120.788 120.400 -0.414 0.000 2.097 38 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 38 K C 2.367 178.590 176.600 -0.628 0.000 1.050 38 K CA 0.972 56.970 56.287 -0.482 0.000 0.938 38 K CB -0.135 32.053 32.500 -0.520 0.000 0.718 38 K HN 0.061 nan 8.250 nan 0.000 0.442 39 R N 1.405 121.705 120.500 -0.334 0.000 2.081 39 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 39 R C 2.198 178.423 176.300 -0.125 0.000 1.131 39 R CA 1.958 57.975 56.100 -0.139 0.000 0.960 39 R CB -0.912 29.401 30.300 0.023 0.000 0.856 39 R HN 0.053 nan 8.270 nan 0.000 0.436 40 S N -0.843 114.766 115.700 -0.152 0.000 2.383 40 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 40 S C 1.818 176.373 174.600 -0.075 0.000 1.030 40 S CA 1.433 59.567 58.200 -0.110 0.000 1.002 40 S CB -0.264 62.846 63.200 -0.150 0.000 0.829 40 S HN 0.207 nan 8.310 nan 0.000 0.467 41 V N 1.482 121.318 119.914 -0.130 0.000 2.548 41 V HA -0.066 4.053 4.120 -0.000 0.000 0.249 41 V C 2.493 178.624 176.094 0.062 0.000 1.055 41 V CA 1.955 64.216 62.300 -0.066 0.000 1.065 41 V CB -0.683 31.072 31.823 -0.113 0.000 0.681 41 V HN 0.590 nan 8.190 nan 0.000 0.462 42 E N 0.139 120.331 120.200 -0.013 0.000 2.077 42 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 42 E C 2.196 178.851 176.600 0.092 0.000 0.989 42 E CA 1.296 57.743 56.400 0.080 0.000 0.800 42 E CB -0.065 29.685 29.700 0.084 0.000 0.746 42 E HN 0.565 nan 8.360 nan 0.000 0.452 43 L N 0.079 121.333 121.223 0.052 0.000 2.072 43 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 43 L C 2.460 179.366 176.870 0.060 0.000 1.079 43 L CA 0.540 55.404 54.840 0.041 0.000 0.752 43 L CB -0.182 41.886 42.059 0.015 0.000 0.906 43 L HN 0.256 nan 8.230 nan 0.000 0.436 44 L N -2.463 118.823 121.223 0.105 0.000 2.262 44 L HA 0.012 4.352 4.340 -0.000 0.000 0.197 44 L C 2.237 179.192 176.870 0.142 0.000 1.073 44 L CA 1.324 56.236 54.840 0.120 0.000 0.800 44 L CB -0.422 41.742 42.059 0.175 0.000 0.987 44 L HN -0.029 nan 8.230 nan 0.000 0.470 45 Y N -0.071 120.233 120.300 0.006 0.000 2.176 45 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 45 Y C 2.379 178.291 175.900 0.020 0.000 1.122 45 Y CA 1.660 59.758 58.100 -0.003 0.000 1.128 45 Y CB -0.557 37.930 38.460 0.046 0.000 1.005 45 Y HN 0.035 nan 8.280 nan 0.000 0.509 46 L N -0.262 121.116 121.223 0.258 0.000 2.042 46 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 46 L C -0.491 176.438 176.870 0.098 0.000 1.076 46 L CA 1.302 56.257 54.840 0.192 0.000 0.749 46 L CB -1.998 40.202 42.059 0.235 0.000 0.893 46 L HN 0.181 nan 8.230 nan 0.000 0.432 47 P HA -0.189 nan 4.420 nan 0.000 0.215 47 P C 1.248 178.545 177.300 -0.004 0.000 1.153 47 P CA 1.492 64.610 63.100 0.030 0.000 0.853 47 P CB 0.028 31.738 31.700 0.017 0.000 0.788 48 K N -1.386 118.995 120.400 -0.032 0.000 2.458 48 K HA 0.145 4.464 4.320 -0.000 0.000 0.194 48 K C 0.331 176.872 176.600 -0.099 0.000 1.024 48 K CA -0.003 56.233 56.287 -0.084 0.000 1.108 48 K CB -0.231 32.181 32.500 -0.147 0.000 0.846 48 K HN 0.131 nan 8.250 nan 0.000 0.518 49 L N -0.148 121.039 121.223 -0.059 0.000 2.322 49 L HA 0.282 4.621 4.340 -0.000 0.000 0.269 49 L C 0.388 177.231 176.870 -0.045 0.000 1.012 49 L CA -0.918 53.878 54.840 -0.073 0.000 0.815 49 L CB 1.702 43.729 42.059 -0.052 0.000 1.295 49 L HN -0.046 nan 8.230 nan 0.000 0.438 50 S N 0.029 115.696 115.700 -0.056 0.000 2.580 50 S HA -0.044 4.426 4.470 -0.000 0.000 0.266 50 S C 1.417 176.007 174.600 -0.015 0.000 1.354 50 S CA 0.344 58.524 58.200 -0.035 0.000 1.008 50 S CB 1.196 64.372 63.200 -0.040 0.000 0.898 50 S HN 0.720 nan 8.310 nan 0.000 0.555 51 S N 2.531 118.233 115.700 0.002 0.000 2.407 51 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 51 S C 1.985 176.599 174.600 0.022 0.000 1.036 51 S CA 1.776 59.989 58.200 0.022 0.000 1.013 51 S CB -1.127 62.092 63.200 0.031 0.000 0.820 51 S HN 1.029 nan 8.310 nan 0.000 0.476 52 A N 1.543 124.373 122.820 0.017 0.000 1.929 52 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 52 A C 1.644 179.239 177.584 0.019 0.000 1.176 52 A CA 1.161 53.221 52.037 0.038 0.000 0.628 52 A CB -0.297 18.728 19.000 0.042 0.000 0.816 52 A HN 0.695 nan 8.150 nan 0.000 0.444 53 N N -0.332 118.345 118.700 -0.038 0.000 2.273 53 N HA 0.028 4.768 4.740 -0.000 0.000 0.231 53 N C 0.539 175.817 175.510 -0.386 0.000 1.134 53 N CA 0.025 53.001 53.050 -0.124 0.000 0.856 53 N CB 0.314 38.858 38.487 0.094 0.000 1.068 53 N HN 0.451 nan 8.380 nan 0.000 0.510 54 N N 0.565 119.098 118.700 -0.279 0.000 2.305 54 N HA 0.074 4.814 4.740 -0.000 0.000 0.179 54 N C 0.453 175.936 175.510 -0.045 0.000 1.019 54 N CA 0.615 53.590 53.050 -0.125 0.000 0.869 54 N CB 0.135 38.634 38.487 0.019 0.000 1.000 54 N HN 0.152 nan 8.380 nan 0.000 0.431 55 F N -2.075 117.982 119.950 0.178 0.000 2.549 55 F HA -0.337 4.190 4.527 -0.000 0.000 0.616 55 F C -0.453 175.434 175.800 0.145 0.000 0.500 55 F CA 0.924 59.005 58.000 0.135 0.000 0.948 55 F CB -0.763 38.325 39.000 0.147 0.000 1.754 55 F HN 0.126 nan 8.300 nan 0.000 0.260 56 Q N 0.817 120.831 119.800 0.356 0.000 2.589 56 Q HA 0.698 5.038 4.340 -0.000 0.000 0.245 56 Q C -0.875 175.276 176.000 0.253 0.000 0.931 56 Q CA -0.131 55.889 55.803 0.362 0.000 0.730 56 Q CB 2.451 31.488 28.738 0.499 0.000 1.315 56 Q HN 0.349 nan 8.270 nan 0.000 0.469 57 M N 2.633 122.361 119.600 0.213 0.000 2.274 57 M HA 0.184 4.664 4.480 -0.000 0.000 0.272 57 M C -1.495 174.889 176.300 0.138 0.000 1.053 57 M CA -0.551 54.837 55.300 0.147 0.000 0.978 57 M CB 1.764 34.434 32.600 0.116 0.000 1.836 57 M HN 0.673 nan 8.290 nan 0.000 0.484 58 D N 4.042 124.509 120.400 0.110 0.000 2.289 58 D HA 0.095 4.735 4.640 -0.000 0.000 0.266 58 D C 0.598 176.948 176.300 0.083 0.000 1.243 58 D CA 0.115 54.176 54.000 0.100 0.000 1.019 58 D CB 0.420 41.264 40.800 0.074 0.000 1.126 58 D HN 0.683 nan 8.370 nan 0.000 0.541 59 K N -1.579 118.862 120.400 0.069 0.000 2.426 59 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 59 K C 0.443 177.070 176.600 0.045 0.000 1.028 59 K CA 0.021 56.344 56.287 0.059 0.000 1.047 59 K CB -0.204 32.328 32.500 0.054 0.000 0.821 59 K HN 0.121 nan 8.250 nan 0.000 0.513 60 N N 1.901 120.625 118.700 0.040 0.000 2.295 60 N HA 0.026 4.766 4.740 -0.000 0.000 0.221 60 N C -0.617 174.911 175.510 0.030 0.000 1.129 60 N CA 0.034 53.102 53.050 0.030 0.000 0.836 60 N CB 0.200 38.701 38.487 0.024 0.000 1.040 60 N HN 0.157 nan 8.380 nan 0.000 0.494 61 N N 0.557 119.280 118.700 0.038 0.000 2.708 61 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 61 N C -0.127 175.403 175.510 0.034 0.000 1.097 61 N CA 0.925 53.998 53.050 0.037 0.000 0.710 61 N CB -1.137 37.367 38.487 0.027 0.000 1.032 61 N HN 0.478 nan 8.380 nan 0.000 0.551 62 K N 0.380 120.802 120.400 0.036 0.000 2.130 62 K HA 0.395 4.715 4.320 -0.000 0.000 0.268 62 K C 0.062 176.686 176.600 0.041 0.000 0.983 62 K CA -0.730 55.574 56.287 0.029 0.000 0.893 62 K CB 0.796 33.308 32.500 0.021 0.000 1.066 62 K HN 0.056 nan 8.250 nan 0.000 0.450 63 L N 4.497 125.741 121.223 0.036 0.000 2.439 63 L HA 0.264 4.604 4.340 -0.000 0.000 0.269 63 L C -0.937 175.948 176.870 0.025 0.000 1.179 63 L CA 0.359 55.230 54.840 0.051 0.000 0.828 63 L CB 0.531 42.620 42.059 0.050 0.000 1.106 63 L HN 0.552 nan 8.230 nan 0.000 0.467 64 L N 3.716 124.962 121.223 0.037 0.000 2.342 64 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 64 L C -0.537 176.239 176.870 -0.156 0.000 1.008 64 L CA -0.635 54.152 54.840 -0.088 0.000 0.818 64 L CB 1.724 43.735 42.059 -0.080 0.000 1.296 64 L HN 0.553 nan 8.230 nan 0.000 0.427 65 E N 0.996 120.986 120.200 -0.350 0.000 2.185 65 E HA 0.262 4.612 4.350 -0.000 0.000 0.261 65 E C -0.932 175.356 176.600 -0.520 0.000 0.879 65 E CA -0.251 55.976 56.400 -0.288 0.000 0.756 65 E CB 1.551 31.111 29.700 -0.234 0.000 1.152 65 E HN 0.448 nan 8.360 nan 0.000 0.416 66 Y N 1.011 121.321 120.300 0.017 0.000 2.558 66 Y HA 0.125 4.674 4.550 -0.000 0.000 0.273 66 Y C 1.321 177.238 175.900 0.028 0.000 1.100 66 Y CA -0.161 57.973 58.100 0.057 0.000 1.276 66 Y CB 0.280 38.764 38.460 0.040 0.000 1.196 66 Y HN 0.547 nan 8.280 nan 0.000 0.527 67 F N 1.687 121.777 119.950 0.232 0.000 2.407 67 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 67 F C 2.224 178.085 175.800 0.102 0.000 1.097 67 F CA 1.141 59.273 58.000 0.219 0.000 1.422 67 F CB -0.220 38.875 39.000 0.159 0.000 1.067 67 F HN 0.042 nan 8.300 nan 0.000 0.539 68 K N 0.095 120.516 120.400 0.035 0.000 2.097 68 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 68 K C 1.698 178.202 176.600 -0.160 0.000 1.049 68 K CA 1.724 57.931 56.287 -0.133 0.000 0.933 68 K CB -1.162 31.138 32.500 -0.332 0.000 0.717 68 K HN 0.216 nan 8.250 nan 0.000 0.442 69 F N 0.097 119.996 119.950 -0.084 0.000 2.408 69 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 69 F C 1.114 176.599 175.800 -0.524 0.000 1.090 69 F CA 0.601 58.394 58.000 -0.345 0.000 1.427 69 F CB -0.037 38.651 39.000 -0.521 0.000 1.070 69 F HN -0.043 nan 8.300 nan 0.000 0.549 70 F N -1.714 118.287 119.950 0.085 0.000 2.706 70 F HA 0.268 4.794 4.527 -0.000 0.000 0.313 70 F C 0.028 175.830 175.800 0.004 0.000 1.096 70 F CA -0.129 57.869 58.000 -0.003 0.000 1.219 70 F CB 0.606 39.624 39.000 0.030 0.000 1.051 70 F HN -0.451 nan 8.300 nan 0.000 0.568 71 V N 1.846 121.857 119.914 0.162 0.000 2.483 71 V HA 0.310 4.430 4.120 -0.000 0.000 0.297 71 V C -2.091 174.025 176.094 0.036 0.000 1.027 71 V CA -1.264 61.100 62.300 0.106 0.000 0.855 71 V CB 2.147 34.047 31.823 0.130 0.000 0.995 71 V HN -0.127 nan 8.190 nan 0.000 0.424 72 P HA 0.281 nan 4.420 nan 0.000 0.249 72 P C -0.378 176.919 177.300 -0.005 0.000 1.544 72 P CA 0.131 63.230 63.100 -0.003 0.000 0.932 72 P CB 0.079 31.777 31.700 -0.003 0.000 1.524 73 K N -0.738 119.661 120.400 -0.002 0.000 2.578 73 K HA 0.393 4.713 4.320 -0.000 0.000 0.287 73 K C -0.567 176.027 176.600 -0.010 0.000 1.010 73 K CA -0.982 55.301 56.287 -0.007 0.000 0.889 73 K CB 1.756 34.255 32.500 -0.002 0.000 1.514 73 K HN -0.212 nan 8.250 nan 0.000 0.424 74 K N 1.394 121.786 120.400 -0.015 0.000 2.237 74 K HA 0.441 4.761 4.320 -0.000 0.000 0.270 74 K C -0.151 176.439 176.600 -0.018 0.000 1.015 74 K CA -0.225 56.052 56.287 -0.017 0.000 0.949 74 K CB 0.494 32.983 32.500 -0.018 0.000 0.976 74 K HN 0.398 nan 8.250 nan 0.000 0.472 75 I N 1.886 122.441 120.570 -0.025 0.000 2.647 75 I HA 0.330 4.499 4.170 -0.000 0.000 0.295 75 I C -0.669 175.420 176.117 -0.046 0.000 1.078 75 I CA -0.969 60.309 61.300 -0.037 0.000 1.048 75 I CB 2.055 40.026 38.000 -0.048 0.000 1.239 75 I HN 0.431 nan 8.210 nan 0.000 0.421 76 K N 5.441 125.812 120.400 -0.050 0.000 2.376 76 K HA 0.604 4.924 4.320 -0.000 0.000 0.257 76 K C -0.867 175.688 176.600 -0.075 0.000 0.939 76 K CA -0.947 55.310 56.287 -0.051 0.000 0.809 76 K CB 2.576 35.055 32.500 -0.035 0.000 1.121 76 K HN 0.398 nan 8.250 nan 0.000 0.425 77 R N 0.688 121.135 120.500 -0.089 0.000 2.832 77 R HA 0.346 4.686 4.340 -0.000 0.000 0.271 77 R C 0.021 176.265 176.300 -0.093 0.000 0.996 77 R CA -0.733 55.291 56.100 -0.125 0.000 0.977 77 R CB 1.801 31.986 30.300 -0.193 0.000 1.168 77 R HN 0.894 nan 8.270 nan 0.000 0.482 78 S N 0.875 116.509 115.700 -0.111 0.000 2.572 78 S HA 0.058 4.527 4.470 -0.000 0.000 0.267 78 S C -1.704 172.876 174.600 -0.033 0.000 1.361 78 S CA -0.738 57.416 58.200 -0.078 0.000 1.009 78 S CB 0.368 63.509 63.200 -0.099 0.000 0.888 78 S HN 0.313 nan 8.310 nan 0.000 0.553 79 P HA -0.032 nan 4.420 nan 0.000 0.217 79 P C 1.742 179.151 177.300 0.181 0.000 1.150 79 P CA 0.709 63.891 63.100 0.137 0.000 0.832 79 P CB -0.273 31.545 31.700 0.197 0.000 0.787 80 C N -0.782 118.624 119.300 0.177 0.000 2.413 80 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 80 C C 2.559 177.596 174.990 0.078 0.000 1.228 80 C CA 0.841 60.003 59.018 0.239 0.000 1.731 80 C CB -1.635 26.223 27.740 0.197 0.000 2.042 80 C HN 0.091 nan 8.230 nan 0.000 0.468 81 I N 0.981 121.480 120.570 -0.118 0.000 2.315 81 I HA -0.160 4.009 4.170 -0.000 0.000 0.248 81 I C 2.243 178.304 176.117 -0.094 0.000 1.117 81 I CA 1.303 62.406 61.300 -0.328 0.000 1.404 81 I CB -0.605 37.072 38.000 -0.537 0.000 1.071 81 I HN 0.483 nan 8.210 nan 0.000 0.419 82 N N 0.929 119.563 118.700 -0.111 0.000 2.039 82 N HA -0.221 4.519 4.740 -0.000 0.000 0.193 82 N C 1.926 177.285 175.510 -0.252 0.000 1.044 82 N CA 1.319 54.249 53.050 -0.199 0.000 0.847 82 N CB -0.467 37.917 38.487 -0.171 0.000 1.030 82 N HN 0.286 nan 8.380 nan 0.000 0.422 83 R N 0.492 120.886 120.500 -0.178 0.000 2.117 83 R HA -0.109 4.231 4.340 -0.000 0.000 0.243 83 R C 2.167 178.533 176.300 0.110 0.000 1.143 83 R CA 1.717 57.736 56.100 -0.134 0.000 0.968 83 R CB -0.601 29.415 30.300 -0.473 0.000 0.863 83 R HN 0.258 nan 8.270 nan 0.000 0.444 84 G N -0.628 108.231 108.800 0.098 0.000 2.440 84 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 84 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 84 G C 0.983 175.959 174.900 0.126 0.000 1.154 84 G CA 0.811 45.913 45.100 0.003 0.000 0.767 84 G HN 0.383 nan 8.290 nan 0.000 0.552 85 Y N -1.581 118.749 120.300 0.051 0.000 2.475 85 Y HA 0.109 4.659 4.550 -0.000 0.000 0.289 85 Y C 2.339 178.286 175.900 0.077 0.000 1.121 85 Y CA 0.279 58.407 58.100 0.046 0.000 1.257 85 Y CB -0.139 38.294 38.460 -0.045 0.000 1.026 85 Y HN 0.388 nan 8.280 nan 0.000 0.555 86 W N -0.253 121.071 121.300 0.041 0.000 2.381 86 W HA -0.186 4.474 4.660 -0.000 0.000 0.301 86 W C 1.821 178.502 176.519 0.269 0.000 1.205 86 W CA 1.105 58.516 57.345 0.110 0.000 1.285 86 W CB -0.415 29.038 29.460 -0.011 0.000 1.133 86 W HN -0.000 nan 8.180 nan 0.000 0.521 87 L N 1.580 123.131 121.223 0.546 0.000 2.127 87 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 87 L C 2.623 179.623 176.870 0.216 0.000 1.089 87 L CA 2.246 57.370 54.840 0.474 0.000 0.757 87 L CB -1.163 41.248 42.059 0.588 0.000 0.899 87 L HN 0.132 nan 8.230 nan 0.000 0.434 88 R N -1.092 119.468 120.500 0.101 0.000 2.062 88 R HA -0.073 4.266 4.340 -0.000 0.000 0.229 88 R C 2.265 178.530 176.300 -0.059 0.000 1.128 88 R CA 1.197 57.289 56.100 -0.012 0.000 0.960 88 R CB -0.297 29.906 30.300 -0.162 0.000 0.855 88 R HN 0.353 nan 8.270 nan 0.000 0.432 89 L N 0.083 121.247 121.223 -0.099 0.000 2.083 89 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 89 L C 2.309 178.948 176.870 -0.385 0.000 1.083 89 L CA 1.160 55.851 54.840 -0.248 0.000 0.752 89 L CB -0.459 41.427 42.059 -0.288 0.000 0.899 89 L HN 0.242 nan 8.230 nan 0.000 0.433 90 F N 0.627 120.292 119.950 -0.475 0.000 2.234 90 F HA -0.114 4.412 4.527 -0.000 0.000 0.299 90 F C 2.318 178.028 175.800 -0.151 0.000 1.087 90 F CA 0.792 58.570 58.000 -0.369 0.000 1.340 90 F CB -0.237 38.346 39.000 -0.695 0.000 1.031 90 F HN -0.013 nan 8.300 nan 0.000 0.500 91 A N 1.181 123.922 122.820 -0.132 0.000 1.835 91 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 91 A C 2.170 179.638 177.584 -0.194 0.000 1.199 91 A CA 1.921 53.882 52.037 -0.127 0.000 0.615 91 A CB -1.155 17.852 19.000 0.012 0.000 0.838 91 A HN 0.316 nan 8.150 nan 0.000 0.444 92 I N -0.184 120.284 120.570 -0.169 0.000 2.264 92 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 92 I C 2.483 178.471 176.117 -0.214 0.000 1.111 92 I CA 1.967 63.164 61.300 -0.172 0.000 1.382 92 I CB -1.231 36.687 38.000 -0.137 0.000 1.060 92 I HN 0.395 nan 8.210 nan 0.000 0.418 93 R N 1.520 121.850 120.500 -0.282 0.000 2.153 93 R HA -0.071 4.268 4.340 -0.000 0.000 0.218 93 R C 2.425 178.622 176.300 -0.171 0.000 1.072 93 R CA 1.663 57.609 56.100 -0.257 0.000 0.990 93 R CB -0.497 29.564 30.300 -0.398 0.000 0.889 93 R HN 0.473 nan 8.270 nan 0.000 0.452 94 S N 0.028 115.561 115.700 -0.278 0.000 2.371 94 S HA -0.039 4.430 4.470 -0.000 0.000 0.224 94 S C 1.832 176.351 174.600 -0.134 0.000 1.029 94 S CA 0.242 58.333 58.200 -0.183 0.000 0.978 94 S CB -0.225 62.695 63.200 -0.465 0.000 0.833 94 S HN 0.162 nan 8.310 nan 0.000 0.466 95 R N 1.804 122.169 120.500 -0.226 0.000 2.080 95 R HA 0.118 4.457 4.340 -0.000 0.000 0.236 95 R C 2.416 178.497 176.300 -0.364 0.000 1.137 95 R CA 1.385 57.271 56.100 -0.357 0.000 0.943 95 R CB -1.686 28.366 30.300 -0.414 0.000 0.846 95 R HN 0.469 nan 8.270 nan 0.000 0.431 96 L N 1.078 122.163 121.223 -0.231 0.000 2.079 96 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 96 L C 2.041 178.881 176.870 -0.050 0.000 1.081 96 L CA 1.232 56.002 54.840 -0.116 0.000 0.752 96 L CB -0.597 41.500 42.059 0.063 0.000 0.896 96 L HN 0.189 nan 8.230 nan 0.000 0.433 97 N N 0.041 118.750 118.700 0.015 0.000 2.069 97 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 97 N C 2.112 177.543 175.510 -0.132 0.000 1.031 97 N CA 1.834 54.914 53.050 0.050 0.000 0.852 97 N CB -0.416 38.164 38.487 0.154 0.000 1.018 97 N HN 0.381 nan 8.380 nan 0.000 0.423 98 S N 0.134 115.575 115.700 -0.432 0.000 2.419 98 S HA -0.019 4.451 4.470 -0.000 0.000 0.233 98 S C 2.023 176.525 174.600 -0.162 0.000 1.016 98 S CA 0.623 58.431 58.200 -0.653 0.000 0.974 98 S CB -0.448 61.867 63.200 -1.475 0.000 0.786 98 S HN 0.283 nan 8.310 nan 0.000 0.492 99 I N 0.092 120.548 120.570 -0.190 0.000 2.400 99 I HA 0.024 4.193 4.170 -0.000 0.000 0.248 99 I C 2.086 178.121 176.117 -0.137 0.000 1.109 99 I CA 0.597 61.788 61.300 -0.182 0.000 1.425 99 I CB -0.236 37.438 38.000 -0.545 0.000 1.094 99 I HN 0.234 nan 8.210 nan 0.000 0.425 100 I N 1.008 121.443 120.570 -0.225 0.000 2.315 100 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 100 I C 2.379 178.417 176.117 -0.132 0.000 1.117 100 I CA 1.555 62.700 61.300 -0.259 0.000 1.404 100 I CB -0.442 37.257 38.000 -0.501 0.000 1.071 100 I HN 0.157 nan 8.210 nan 0.000 0.419 101 E N -0.438 119.715 120.200 -0.079 0.000 2.077 101 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 101 E C 2.133 178.730 176.600 -0.004 0.000 0.989 101 E CA 1.324 57.712 56.400 -0.019 0.000 0.800 101 E CB -0.086 29.631 29.700 0.028 0.000 0.746 101 E HN 0.530 nan 8.360 nan 0.000 0.452 102 Q N -0.021 119.792 119.800 0.022 0.000 2.297 102 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 102 Q C 0.065 176.107 176.000 0.070 0.000 0.931 102 Q CA 0.533 56.355 55.803 0.032 0.000 0.885 102 Q CB 0.600 29.335 28.738 -0.005 0.000 0.991 102 Q HN 0.024 nan 8.270 nan 0.000 0.498 103 T N 3.825 118.435 114.554 0.093 0.000 2.799 103 T HA 0.204 4.554 4.350 -0.000 0.000 0.296 103 T C -2.516 172.190 174.700 0.010 0.000 0.947 103 T CA -1.123 61.021 62.100 0.074 0.000 1.141 103 T CB 1.025 69.921 68.868 0.047 0.000 0.891 103 T HN 0.167 nan 8.240 nan 0.000 0.533 104 P HA 0.049 nan 4.420 nan 0.000 0.261 104 P C 0.439 177.726 177.300 -0.022 0.000 1.173 104 P CA 0.069 63.166 63.100 -0.006 0.000 0.760 104 P CB 0.427 32.125 31.700 -0.004 0.000 0.783 105 Q N 1.782 121.568 119.800 -0.024 0.000 2.561 105 Q HA -0.157 4.183 4.340 -0.000 0.000 0.217 105 Q C 0.748 176.730 176.000 -0.030 0.000 0.980 105 Q CA 1.323 57.108 55.803 -0.031 0.000 0.927 105 Q CB -0.457 28.268 28.738 -0.021 0.000 0.980 105 Q HN 0.540 nan 8.270 nan 0.000 0.525 106 D N -2.018 118.365 120.400 -0.028 0.000 2.389 106 D HA 0.017 4.657 4.640 -0.000 0.000 0.206 106 D C -0.190 176.087 176.300 -0.038 0.000 1.055 106 D CA 0.074 54.058 54.000 -0.028 0.000 0.856 106 D CB 0.216 41.004 40.800 -0.021 0.000 0.957 106 D HN -0.076 nan 8.370 nan 0.000 0.509 107 K N 1.137 121.509 120.400 -0.046 0.000 2.227 107 K HA 0.170 4.490 4.320 -0.000 0.000 0.280 107 K C 0.149 176.701 176.600 -0.080 0.000 1.041 107 K CA -0.717 55.534 56.287 -0.060 0.000 0.905 107 K CB 1.960 34.425 32.500 -0.059 0.000 1.068 107 K HN 0.020 nan 8.250 nan 0.000 0.470 108 K N 3.848 124.196 120.400 -0.087 0.000 2.355 108 K HA 0.149 4.469 4.320 -0.000 0.000 0.270 108 K C -0.668 175.845 176.600 -0.144 0.000 1.003 108 K CA 0.071 56.292 56.287 -0.110 0.000 0.957 108 K CB 0.481 32.919 32.500 -0.103 0.000 0.939 108 K HN 0.483 nan 8.250 nan 0.000 0.482 109 I N 2.802 123.260 120.570 -0.185 0.000 2.689 109 I HA 0.285 4.455 4.170 -0.000 0.000 0.299 109 I C -1.098 174.834 176.117 -0.309 0.000 1.059 109 I CA -1.313 59.845 61.300 -0.237 0.000 1.055 109 I CB 2.402 40.243 38.000 -0.266 0.000 1.243 109 I HN 0.302 nan 8.210 nan 0.000 0.425 110 V N 5.760 125.471 119.914 -0.338 0.000 2.482 110 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 110 V C -0.273 175.542 176.094 -0.466 0.000 1.026 110 V CA -0.684 61.368 62.300 -0.413 0.000 0.856 110 V CB 2.013 33.633 31.823 -0.338 0.000 1.001 110 V HN 0.382 nan 8.190 nan 0.000 0.424 111 V N 6.051 125.617 119.914 -0.580 0.000 2.432 111 V HA 0.294 4.413 4.120 -0.000 0.000 0.271 111 V C 0.100 176.023 176.094 -0.286 0.000 1.046 111 V CA -0.329 61.723 62.300 -0.414 0.000 0.945 111 V CB 1.484 33.114 31.823 -0.322 0.000 0.992 111 V HN 0.591 nan 8.190 nan 0.000 0.471 112 V N 5.035 124.754 119.914 -0.325 0.000 2.275 112 V HA 0.299 4.419 4.120 -0.000 0.000 0.272 112 V C 0.340 176.388 176.094 -0.077 0.000 1.028 112 V CA -0.664 61.496 62.300 -0.232 0.000 0.810 112 V CB 1.067 32.634 31.823 -0.426 0.000 1.043 112 V HN 0.827 nan 8.190 nan 0.000 0.453 113 N N 5.263 123.953 118.700 -0.017 0.000 2.415 113 N HA 0.267 5.007 4.740 -0.000 0.000 0.250 113 N C -0.429 175.097 175.510 0.026 0.000 1.127 113 N CA -0.090 52.962 53.050 0.004 0.000 0.945 113 N CB 0.641 39.139 38.487 0.019 0.000 1.196 113 N HN 0.594 nan 8.380 nan 0.000 0.499 114 L N 1.827 123.070 121.223 0.034 0.000 2.360 114 L HA 0.274 4.614 4.340 -0.000 0.000 0.276 114 L C 1.401 178.270 176.870 -0.000 0.000 1.121 114 L CA -0.541 54.317 54.840 0.030 0.000 0.845 114 L CB 0.593 42.672 42.059 0.032 0.000 1.143 114 L HN 0.635 nan 8.230 nan 0.000 0.452 115 G N 2.351 111.134 108.800 -0.029 0.000 2.370 115 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.295 115 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.295 115 G C 0.769 175.664 174.900 -0.008 0.000 1.045 115 G CA 0.171 45.250 45.100 -0.034 0.000 1.199 115 G HN 1.024 nan 8.290 nan 0.000 0.513 116 C N -0.392 118.897 119.300 -0.018 0.000 2.485 116 C HA 0.551 5.010 4.460 -0.000 0.000 0.277 116 C C 2.635 177.593 174.990 -0.053 0.000 1.376 116 C CA 0.667 59.678 59.018 -0.012 0.000 1.759 116 C CB -1.050 26.695 27.740 0.008 0.000 1.970 116 C HN 2.473 nan 8.230 nan 0.000 0.509 117 G N 0.997 109.725 108.800 -0.119 0.000 2.611 117 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 117 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 117 G C 0.094 174.779 174.900 -0.358 0.000 1.233 117 G CA 0.927 45.837 45.100 -0.316 0.000 0.993 117 G HN 0.719 nan 8.290 nan 0.000 0.553 118 Y N 1.194 121.415 120.300 -0.132 0.000 2.555 118 Y HA 0.328 4.878 4.550 -0.000 0.000 0.259 118 Y C 1.206 176.766 175.900 -0.567 0.000 1.179 118 Y CA -0.168 57.645 58.100 -0.477 0.000 1.230 118 Y CB 0.399 38.557 38.460 -0.503 0.000 1.146 118 Y HN 0.436 nan 8.280 nan 0.000 0.526 119 D N 2.827 123.151 120.400 -0.127 0.000 2.581 119 D HA -0.057 4.582 4.640 -0.000 0.000 0.238 119 D C -2.038 174.157 176.300 -0.176 0.000 1.145 119 D CA -1.191 52.756 54.000 -0.088 0.000 0.866 119 D CB 1.099 41.895 40.800 -0.006 0.000 1.151 119 D HN 0.123 nan 8.370 nan 0.000 0.500 120 P HA 0.058 nan 4.420 nan 0.000 0.256 120 P C 1.240 178.436 177.300 -0.174 0.000 1.384 120 P CA -0.357 62.697 63.100 -0.077 0.000 0.879 120 P CB 0.205 31.814 31.700 -0.152 0.000 1.403 121 L N 1.404 122.485 121.223 -0.236 0.000 2.043 121 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 121 L C -0.887 175.683 176.870 -0.500 0.000 1.075 121 L CA 2.763 57.422 54.840 -0.302 0.000 0.752 121 L CB -2.006 39.937 42.059 -0.193 0.000 0.891 121 L HN 0.054 nan 8.230 nan 0.000 0.432 122 P HA -0.143 nan 4.420 nan 0.000 0.216 122 P C 1.569 178.298 177.300 -0.952 0.000 1.153 122 P CA 1.642 63.987 63.100 -1.259 0.000 0.848 122 P CB -0.146 30.961 31.700 -0.988 0.000 0.787 123 F N -0.390 119.277 119.950 -0.472 0.000 2.259 123 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 123 F C 2.756 178.250 175.800 -0.510 0.000 1.088 123 F CA 1.068 58.856 58.000 -0.353 0.000 1.358 123 F CB -0.964 37.928 39.000 -0.180 0.000 1.040 123 F HN -0.054 nan 8.300 nan 0.000 0.505 124 Q N 0.866 120.293 119.800 -0.622 0.000 2.084 124 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 124 Q C 2.030 177.766 176.000 -0.439 0.000 0.978 124 Q CA 1.578 56.829 55.803 -0.920 0.000 0.844 124 Q CB -0.120 28.194 28.738 -0.706 0.000 0.898 124 Q HN 0.485 nan 8.270 nan 0.000 0.426 125 L N -0.124 120.861 121.223 -0.397 0.000 2.162 125 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 125 L C 2.329 179.168 176.870 -0.053 0.000 1.086 125 L CA 0.361 55.024 54.840 -0.295 0.000 0.778 125 L CB -0.212 41.660 42.059 -0.312 0.000 0.928 125 L HN 0.232 nan 8.230 nan 0.000 0.446 126 L N -0.756 120.441 121.223 -0.043 0.000 2.095 126 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 126 L C 0.815 177.851 176.870 0.277 0.000 1.080 126 L CA 0.223 55.160 54.840 0.163 0.000 0.759 126 L CB -0.379 41.700 42.059 0.033 0.000 0.914 126 L HN 0.181 nan 8.230 nan 0.000 0.439 127 D N 0.783 121.299 120.400 0.193 0.000 2.661 127 D HA -0.103 4.537 4.640 -0.000 0.000 0.244 127 D C 1.261 177.725 176.300 0.274 0.000 1.196 127 D CA 0.362 54.505 54.000 0.239 0.000 0.881 127 D CB 1.038 42.035 40.800 0.328 0.000 1.141 127 D HN 0.202 nan 8.370 nan 0.000 0.530 128 T N 1.606 116.153 114.554 -0.011 0.000 2.929 128 T HA -0.152 4.198 4.350 -0.000 0.000 0.271 128 T C 1.531 176.199 174.700 -0.052 0.000 1.085 128 T CA 0.523 62.419 62.100 -0.341 0.000 1.125 128 T CB 0.027 68.729 68.868 -0.277 0.000 0.874 128 T HN 0.346 nan 8.240 nan 0.000 0.494 129 N N 1.858 120.608 118.700 0.083 0.000 2.120 129 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 129 N C 0.789 176.409 175.510 0.183 0.000 1.024 129 N CA 0.677 53.797 53.050 0.117 0.000 0.852 129 N CB -0.617 37.942 38.487 0.120 0.000 1.003 129 N HN 0.340 nan 8.380 nan 0.000 0.424 130 N N 2.013 120.877 118.700 0.274 0.000 2.400 130 N HA -0.013 4.726 4.740 -0.000 0.000 0.267 130 N C 1.165 176.853 175.510 0.297 0.000 1.208 130 N CA -0.083 53.140 53.050 0.288 0.000 0.951 130 N CB 0.177 38.853 38.487 0.315 0.000 1.227 130 N HN 0.267 nan 8.380 nan 0.000 0.488 131 I N 0.283 120.987 120.570 0.222 0.000 3.001 131 I HA -0.024 4.145 4.170 -0.000 0.000 0.268 131 I C 1.021 177.233 176.117 0.158 0.000 1.267 131 I CA 0.634 62.055 61.300 0.201 0.000 1.472 131 I CB 0.065 38.152 38.000 0.144 0.000 1.089 131 I HN 0.241 nan 8.210 nan 0.000 0.468 132 Q N 1.778 121.668 119.800 0.149 0.000 2.435 132 Q HA 0.049 4.388 4.340 -0.000 0.000 0.207 132 Q C 1.150 177.202 176.000 0.086 0.000 0.956 132 Q CA 1.093 56.974 55.803 0.129 0.000 0.917 132 Q CB 0.057 28.890 28.738 0.159 0.000 0.997 132 Q HN 0.776 nan 8.270 nan 0.000 0.497 133 S N -0.968 114.743 115.700 0.019 0.000 2.617 133 S HA 0.176 4.646 4.470 -0.000 0.000 0.237 133 S C 0.869 175.275 174.600 -0.323 0.000 1.142 133 S CA -0.577 57.550 58.200 -0.122 0.000 1.167 133 S CB 0.747 63.797 63.200 -0.249 0.000 1.068 133 S HN 0.050 nan 8.310 nan 0.000 0.470 134 Q N 1.658 121.391 119.800 -0.112 0.000 2.297 134 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 134 Q C 1.332 177.327 176.000 -0.008 0.000 0.962 134 Q CA 1.328 57.099 55.803 -0.055 0.000 0.879 134 Q CB -0.112 28.727 28.738 0.168 0.000 0.947 134 Q HN 0.791 nan 8.270 nan 0.000 0.462 135 Q N -0.980 118.862 119.800 0.071 0.000 2.435 135 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 135 Q C 0.317 176.285 176.000 -0.054 0.000 0.956 135 Q CA 0.606 56.430 55.803 0.034 0.000 0.917 135 Q CB 0.263 29.014 28.738 0.021 0.000 0.997 135 Q HN 0.406 nan 8.270 nan 0.000 0.497 136 Y N -1.674 118.542 120.300 -0.140 0.000 2.555 136 Y HA 0.109 4.658 4.550 -0.000 0.000 0.259 136 Y C 1.403 177.306 175.900 0.005 0.000 1.179 136 Y CA -0.056 58.004 58.100 -0.066 0.000 1.230 136 Y CB 0.378 38.819 38.460 -0.032 0.000 1.146 136 Y HN 0.152 nan 8.280 nan 0.000 0.526 137 H N -0.485 118.695 119.070 0.183 0.000 2.512 137 H HA 0.015 4.571 4.556 -0.000 0.000 0.279 137 H C 0.679 176.061 175.328 0.090 0.000 0.999 137 H CA 1.150 57.278 56.048 0.134 0.000 1.283 137 H CB 0.383 30.211 29.762 0.109 0.000 1.421 137 H HN 0.415 nan 8.280 nan 0.000 0.554 138 D N -0.038 120.465 120.400 0.171 0.000 2.929 138 D HA 0.002 4.642 4.640 -0.000 0.000 0.291 138 D C 1.064 177.389 176.300 0.042 0.000 1.086 138 D CA 0.386 54.443 54.000 0.095 0.000 0.971 138 D CB 0.214 41.056 40.800 0.069 0.000 1.275 138 D HN 0.306 nan 8.370 nan 0.000 0.469 139 R N 0.710 121.210 120.500 -0.000 0.000 2.700 139 R HA 0.439 4.779 4.340 -0.000 0.000 0.377 139 R C -0.774 175.466 176.300 -0.100 0.000 1.130 139 R CA -0.270 55.802 56.100 -0.047 0.000 1.055 139 R CB -0.028 30.236 30.300 -0.060 0.000 1.387 139 R HN -0.157 nan 8.270 nan 0.000 0.580 140 V N 0.707 120.571 119.914 -0.083 0.000 2.531 140 V HA 0.601 4.721 4.120 -0.000 0.000 0.301 140 V C -0.339 175.632 176.094 -0.204 0.000 1.034 140 V CA -0.666 61.512 62.300 -0.204 0.000 0.865 140 V CB 1.846 33.540 31.823 -0.215 0.000 0.995 140 V HN 0.511 nan 8.190 nan 0.000 0.424 141 S N 3.584 119.068 115.700 -0.359 0.000 2.689 141 S HA 0.920 5.390 4.470 -0.000 0.000 0.306 141 S C -1.099 173.159 174.600 -0.571 0.000 1.104 141 S CA -0.716 57.340 58.200 -0.240 0.000 0.973 141 S CB 2.007 65.135 63.200 -0.120 0.000 1.121 141 S HN 0.330 nan 8.310 nan 0.000 0.523 142 F N -0.215 119.674 119.950 -0.101 0.000 2.565 142 F HA 0.609 5.136 4.527 -0.000 0.000 0.313 142 F C -0.486 175.139 175.800 -0.293 0.000 1.091 142 F CA -0.915 56.992 58.000 -0.156 0.000 0.915 142 F CB 1.637 40.593 39.000 -0.072 0.000 1.208 142 F HN 0.412 nan 8.300 nan 0.000 0.453 143 I N 2.847 123.345 120.570 -0.120 0.000 2.410 143 I HA 0.300 4.470 4.170 -0.000 0.000 0.286 143 I C -1.143 174.893 176.117 -0.136 0.000 1.009 143 I CA -0.670 60.508 61.300 -0.202 0.000 1.111 143 I CB 1.511 39.420 38.000 -0.152 0.000 1.262 143 I HN 0.423 nan 8.210 nan 0.000 0.443 144 D N 7.255 127.535 120.400 -0.201 0.000 2.210 144 D HA 0.618 5.258 4.640 -0.000 0.000 0.249 144 D C -0.403 175.891 176.300 -0.009 0.000 1.078 144 D CA 0.092 54.058 54.000 -0.056 0.000 0.875 144 D CB 2.192 43.003 40.800 0.018 0.000 1.175 144 D HN 0.287 nan 8.370 nan 0.000 0.440 145 I N 1.921 122.506 120.570 0.025 0.000 2.512 145 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 145 I C -0.465 175.654 176.117 0.003 0.000 1.069 145 I CA -0.565 60.761 61.300 0.042 0.000 1.056 145 I CB 2.110 40.167 38.000 0.095 0.000 1.229 145 I HN 0.129 nan 8.210 nan 0.000 0.429 146 D N 3.392 123.790 120.400 -0.003 0.000 2.692 146 D HA 0.308 4.947 4.640 -0.000 0.000 0.303 146 D C -1.012 175.267 176.300 -0.035 0.000 1.278 146 D CA -0.433 53.529 54.000 -0.063 0.000 0.852 146 D CB 1.636 42.426 40.800 -0.017 0.000 1.375 146 D HN 0.201 nan 8.370 nan 0.000 0.453 147 Y N 0.616 120.931 120.300 0.026 0.000 2.709 147 Y HA -0.071 4.479 4.550 -0.000 0.000 0.348 147 Y C 2.136 178.068 175.900 0.053 0.000 1.267 147 Y CA 0.916 59.037 58.100 0.034 0.000 1.486 147 Y CB 0.535 39.004 38.460 0.016 0.000 1.356 147 Y HN 0.235 nan 8.280 nan 0.000 0.639 148 S N 0.386 116.236 115.700 0.250 0.000 2.368 148 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 148 S C 1.500 176.194 174.600 0.157 0.000 1.029 148 S CA 1.807 60.112 58.200 0.176 0.000 0.988 148 S CB -0.242 63.048 63.200 0.151 0.000 0.838 148 S HN 0.795 nan 8.310 nan 0.000 0.462 149 D N 1.272 121.756 120.400 0.140 0.000 2.097 149 D HA -0.070 4.570 4.640 -0.000 0.000 0.195 149 D C 1.906 178.288 176.300 0.136 0.000 0.989 149 D CA 0.963 55.029 54.000 0.109 0.000 0.827 149 D CB -0.525 40.310 40.800 0.058 0.000 0.966 149 D HN 0.403 nan 8.370 nan 0.000 0.456 150 L N 0.119 121.433 121.223 0.152 0.000 2.131 150 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 150 L C 2.096 179.095 176.870 0.216 0.000 1.092 150 L CA 0.827 55.766 54.840 0.165 0.000 0.759 150 L CB 0.017 42.122 42.059 0.077 0.000 0.903 150 L HN 0.061 nan 8.230 nan 0.000 0.435 151 L N -0.760 120.573 121.223 0.183 0.000 2.095 151 L HA -0.172 4.167 4.340 -0.000 0.000 0.204 151 L C 2.587 179.570 176.870 0.188 0.000 1.080 151 L CA 1.012 55.968 54.840 0.195 0.000 0.759 151 L CB -0.402 41.758 42.059 0.169 0.000 0.914 151 L HN 0.207 nan 8.230 nan 0.000 0.439 152 K N 0.534 121.027 120.400 0.155 0.000 2.000 152 K HA -0.248 4.071 4.320 -0.000 0.000 0.218 152 K C 1.975 178.652 176.600 0.129 0.000 1.053 152 K CA 1.851 58.210 56.287 0.120 0.000 0.946 152 K CB -0.442 32.118 32.500 0.100 0.000 0.723 152 K HN 0.191 nan 8.250 nan 0.000 0.446 153 I N 1.143 121.808 120.570 0.159 0.000 2.068 153 I HA -0.392 3.778 4.170 -0.000 0.000 0.238 153 I C 2.684 178.917 176.117 0.193 0.000 1.046 153 I CA 1.631 63.029 61.300 0.164 0.000 1.306 153 I CB -0.426 37.708 38.000 0.223 0.000 1.023 153 I HN 0.248 nan 8.210 nan 0.000 0.399 154 K N 1.365 121.966 120.400 0.334 0.000 2.032 154 K HA -0.207 4.112 4.320 -0.000 0.000 0.209 154 K C 2.111 178.884 176.600 0.288 0.000 1.048 154 K CA 1.755 58.288 56.287 0.409 0.000 0.927 154 K CB -0.174 32.640 32.500 0.525 0.000 0.712 154 K HN 0.268 nan 8.250 nan 0.000 0.441 155 I N 0.911 121.616 120.570 0.224 0.000 2.127 155 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 155 I C 2.537 178.697 176.117 0.072 0.000 1.075 155 I CA 1.680 63.074 61.300 0.156 0.000 1.334 155 I CB -0.571 37.497 38.000 0.113 0.000 1.040 155 I HN 0.384 nan 8.210 nan 0.000 0.405 156 E N 1.864 122.095 120.200 0.052 0.000 2.055 156 E HA -0.284 4.066 4.350 -0.000 0.000 0.209 156 E C 2.154 178.734 176.600 -0.034 0.000 1.036 156 E CA 2.124 58.527 56.400 0.005 0.000 0.849 156 E CB -0.551 29.157 29.700 0.013 0.000 0.767 156 E HN 0.394 nan 8.360 nan 0.000 0.461 157 L N 0.165 121.365 121.223 -0.039 0.000 2.013 157 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 157 L C 2.714 179.455 176.870 -0.215 0.000 1.073 157 L CA 1.697 56.451 54.840 -0.144 0.000 0.753 157 L CB -0.500 41.445 42.059 -0.189 0.000 0.890 157 L HN 0.345 nan 8.230 nan 0.000 0.432 158 I N -0.590 119.897 120.570 -0.139 0.000 2.264 158 I HA -0.321 3.848 4.170 -0.000 0.000 0.248 158 I C 2.513 178.528 176.117 -0.169 0.000 1.111 158 I CA 1.407 62.589 61.300 -0.197 0.000 1.382 158 I CB -0.429 37.560 38.000 -0.018 0.000 1.060 158 I HN 0.249 nan 8.210 nan 0.000 0.418 159 K N 0.428 120.771 120.400 -0.096 0.000 2.057 159 K HA -0.161 4.158 4.320 -0.000 0.000 0.207 159 K C 2.107 178.638 176.600 -0.115 0.000 1.049 159 K CA 2.076 58.312 56.287 -0.084 0.000 0.931 159 K CB -0.340 32.127 32.500 -0.054 0.000 0.714 159 K HN 0.474 nan 8.250 nan 0.000 0.440 160 T N -1.108 113.367 114.554 -0.131 0.000 3.088 160 T HA 0.121 4.471 4.350 -0.000 0.000 0.259 160 T C 0.787 175.381 174.700 -0.177 0.000 1.122 160 T CA 0.065 62.087 62.100 -0.130 0.000 1.095 160 T CB -0.148 68.654 68.868 -0.110 0.000 0.930 160 T HN -0.033 nan 8.240 nan 0.000 0.508 161 I N 2.475 122.889 120.570 -0.259 0.000 2.307 161 I HA 0.296 4.465 4.170 -0.000 0.000 0.289 161 I C -1.713 174.196 176.117 -0.348 0.000 1.021 161 I CA -2.790 58.297 61.300 -0.355 0.000 1.224 161 I CB 1.907 39.555 38.000 -0.586 0.000 1.376 161 I HN -0.103 nan 8.210 nan 0.000 0.470 162 P HA -0.231 nan 4.420 nan 0.000 0.214 162 P C 1.146 178.304 177.300 -0.236 0.000 1.172 162 P CA 1.603 64.587 63.100 -0.194 0.000 0.925 162 P CB 0.263 31.881 31.700 -0.137 0.000 0.793 163 E N -0.843 119.174 120.200 -0.304 0.000 2.147 163 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 163 E C 2.055 178.455 176.600 -0.334 0.000 1.005 163 E CA 1.113 57.341 56.400 -0.286 0.000 0.810 163 E CB -0.916 28.607 29.700 -0.295 0.000 0.736 163 E HN 0.230 nan 8.360 nan 0.000 0.460 164 L N -0.017 120.869 121.223 -0.561 0.000 2.007 164 L HA -0.119 4.220 4.340 -0.000 0.000 0.205 164 L C 2.411 179.129 176.870 -0.254 0.000 1.073 164 L CA 1.122 55.624 54.840 -0.564 0.000 0.744 164 L CB -0.566 40.948 42.059 -0.909 0.000 0.898 164 L HN 0.079 nan 8.230 nan 0.000 0.435 165 S N -0.140 115.425 115.700 -0.225 0.000 2.374 165 S HA -0.258 4.211 4.470 -0.000 0.000 0.227 165 S C 1.930 176.507 174.600 -0.040 0.000 1.037 165 S CA 1.515 59.657 58.200 -0.097 0.000 1.024 165 S CB -0.289 62.850 63.200 -0.102 0.000 0.861 165 S HN 0.286 nan 8.310 nan 0.000 0.456 166 K N 0.714 121.078 120.400 -0.059 0.000 2.360 166 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 166 K C 1.645 178.254 176.600 0.017 0.000 1.046 166 K CA 0.920 57.194 56.287 -0.023 0.000 0.940 166 K CB -0.160 32.319 32.500 -0.034 0.000 0.748 166 K HN 0.403 nan 8.250 nan 0.000 0.465 167 I N 0.814 121.412 120.570 0.047 0.000 2.494 167 I HA -0.138 4.032 4.170 -0.000 0.000 0.250 167 I C 1.919 178.092 176.117 0.092 0.000 1.112 167 I CA 0.613 61.973 61.300 0.101 0.000 1.438 167 I CB -0.031 38.091 38.000 0.203 0.000 1.111 167 I HN 0.130 nan 8.210 nan 0.000 0.431 168 I N -0.991 119.638 120.570 0.097 0.000 3.810 168 I HA 0.415 4.585 4.170 -0.000 0.000 0.322 168 I C 1.012 177.171 176.117 0.070 0.000 1.288 168 I CA 0.188 61.532 61.300 0.073 0.000 1.143 168 I CB -0.396 37.631 38.000 0.045 0.000 1.012 168 I HN 0.254 nan 8.210 nan 0.000 0.423 169 G N 2.158 110.988 108.800 0.051 0.000 2.256 169 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.272 169 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.272 169 G C -0.198 174.720 174.900 0.030 0.000 1.076 169 G CA 0.100 45.223 45.100 0.037 0.000 0.882 169 G HN 0.429 nan 8.290 nan 0.000 0.497 170 L N -0.402 120.832 121.223 0.018 0.000 2.376 170 L HA 0.683 5.023 4.340 -0.000 0.000 0.267 170 L C 1.462 178.327 176.870 -0.009 0.000 1.035 170 L CA -0.531 54.312 54.840 0.006 0.000 0.800 170 L CB 1.356 43.415 42.059 -0.001 0.000 1.290 170 L HN 0.325 nan 8.230 nan 0.000 0.462 182 V N 2.518 122.432 119.914 0.000 0.000 2.557 182 V HA 0.095 4.215 4.120 -0.000 0.000 0.301 182 V C 0.727 176.826 176.094 0.008 0.000 1.026 182 V CA 0.673 62.940 62.300 -0.054 0.000 1.137 182 V CB 0.612 32.327 31.823 -0.181 0.000 0.917 182 V HN 0.311 nan 8.190 nan 0.000 0.484 183 D N 2.653 123.111 120.400 0.097 0.000 2.538 183 D HA 0.249 4.889 4.640 -0.000 0.000 0.231 183 D C -0.292 176.164 176.300 0.259 0.000 1.229 183 D CA -0.284 53.815 54.000 0.165 0.000 0.828 183 D CB 0.094 41.002 40.800 0.180 0.000 1.035 183 D HN 0.485 nan 8.370 nan 0.000 0.495 184 F N -1.062 118.937 119.950 0.083 0.000 2.645 184 F HA 0.760 5.287 4.527 -0.000 0.000 0.310 184 F C -2.203 173.650 175.800 0.089 0.000 1.102 184 F CA -1.627 56.419 58.000 0.076 0.000 0.952 184 F CB 1.429 40.461 39.000 0.055 0.000 1.326 184 F HN -0.117 nan 8.300 nan 0.000 0.456 185 L N 1.410 122.716 121.223 0.138 0.000 2.506 185 L HA 0.850 5.190 4.340 -0.000 0.000 0.257 185 L C -1.510 175.479 176.870 0.197 0.000 0.964 185 L CA -0.013 54.865 54.840 0.063 0.000 0.836 185 L CB 2.680 44.814 42.059 0.124 0.000 1.384 185 L HN 0.893 nan 8.230 nan 0.000 0.410 186 T N 2.107 116.766 114.554 0.175 0.000 2.921 186 T HA 0.793 5.143 4.350 -0.000 0.000 0.297 186 T C -0.688 174.094 174.700 0.136 0.000 1.013 186 T CA -0.190 62.006 62.100 0.160 0.000 0.990 186 T CB 1.581 70.555 68.868 0.176 0.000 1.023 186 T HN 0.935 nan 8.240 nan 0.000 0.447 187 T N 0.044 114.677 114.554 0.132 0.000 2.787 187 T HA 0.573 4.923 4.350 -0.000 0.000 0.297 187 T C -2.242 172.514 174.700 0.093 0.000 1.221 187 T CA -1.689 60.481 62.100 0.118 0.000 1.006 187 T CB 1.180 70.138 68.868 0.150 0.000 1.328 187 T HN 0.157 nan 8.240 nan 0.000 0.509 188 P HA -0.020 nan 4.420 nan 0.000 0.215 188 P C 0.910 178.246 177.300 0.061 0.000 1.163 188 P CA 1.472 64.605 63.100 0.056 0.000 0.894 188 P CB 0.094 31.826 31.700 0.052 0.000 0.791 189 K N -3.899 116.563 120.400 0.102 0.000 2.358 189 K HA 0.138 4.458 4.320 -0.000 0.000 0.200 189 K C -0.167 176.561 176.600 0.213 0.000 1.030 189 K CA -0.149 56.216 56.287 0.130 0.000 1.097 189 K CB 0.574 33.168 32.500 0.157 0.000 0.862 189 K HN 0.160 nan 8.250 nan 0.000 0.534 190 Y N 1.124 121.451 120.300 0.046 0.000 2.396 190 Y HA 0.382 4.931 4.550 -0.000 0.000 0.332 190 Y C -1.766 174.155 175.900 0.035 0.000 1.034 190 Y CA -1.093 57.024 58.100 0.029 0.000 1.057 190 Y CB 1.107 39.529 38.460 -0.064 0.000 1.220 190 Y HN -0.220 nan 8.280 nan 0.000 0.440 191 L N 5.921 126.799 121.223 -0.574 0.000 2.385 191 L HA 0.888 5.228 4.340 -0.000 0.000 0.273 191 L C -0.528 175.992 176.870 -0.584 0.000 0.990 191 L CA -1.324 53.290 54.840 -0.377 0.000 0.821 191 L CB 1.943 43.909 42.059 -0.156 0.000 1.279 191 L HN 0.755 nan 8.230 nan 0.000 0.412 192 A N 3.726 126.408 122.820 -0.229 0.000 2.301 192 A HA 0.861 5.181 4.320 -0.000 0.000 0.312 192 A C -0.417 177.207 177.584 0.067 0.000 1.182 192 A CA -0.585 51.426 52.037 -0.043 0.000 0.826 192 A CB 0.693 19.791 19.000 0.163 0.000 1.134 192 A HN 0.707 nan 8.150 nan 0.000 0.501 193 R N 2.551 123.090 120.500 0.064 0.000 2.510 193 R HA 0.387 4.726 4.340 -0.000 0.000 0.294 193 R C -3.229 173.133 176.300 0.104 0.000 1.056 193 R CA -1.648 54.510 56.100 0.096 0.000 0.918 193 R CB 2.191 32.520 30.300 0.050 0.000 1.187 193 R HN 0.546 nan 8.270 nan 0.000 0.437 194 P HA 0.277 nan 4.420 nan 0.000 0.276 194 P C -0.405 176.956 177.300 0.102 0.000 1.244 194 P CA -0.397 62.775 63.100 0.121 0.000 0.801 194 P CB 1.189 32.977 31.700 0.146 0.000 1.006 195 C N 1.991 121.343 119.300 0.087 0.000 3.232 195 C HA 0.107 4.567 4.460 -0.000 0.000 0.432 195 C C -1.093 173.900 174.990 0.006 0.000 0.950 195 C CA -0.669 58.396 59.018 0.078 0.000 1.258 195 C CB -0.227 27.584 27.740 0.118 0.000 1.658 195 C HN 0.695 nan 8.230 nan 0.000 0.596 196 D N 3.953 124.386 120.400 0.055 0.000 2.371 196 D HA 0.193 4.833 4.640 -0.000 0.000 0.256 196 D C 0.865 177.147 176.300 -0.031 0.000 1.193 196 D CA 0.138 54.147 54.000 0.015 0.000 0.881 196 D CB 0.938 41.852 40.800 0.190 0.000 1.143 196 D HN 0.714 nan 8.370 nan 0.000 0.473 197 L N 3.839 124.974 121.223 -0.146 0.000 2.599 197 L HA 0.021 4.361 4.340 -0.000 0.000 0.230 197 L C 1.815 178.624 176.870 -0.102 0.000 1.141 197 L CA -0.052 54.691 54.840 -0.162 0.000 0.877 197 L CB -0.140 41.758 42.059 -0.268 0.000 1.009 197 L HN 0.353 nan 8.230 nan 0.000 0.447 198 N N -0.154 118.529 118.700 -0.028 0.000 2.409 198 N HA -0.103 4.636 4.740 -0.000 0.000 0.179 198 N C 0.424 175.947 175.510 0.021 0.000 1.032 198 N CA 0.681 53.734 53.050 0.006 0.000 0.898 198 N CB 0.041 38.558 38.487 0.049 0.000 0.971 198 N HN 0.219 nan 8.380 nan 0.000 0.441 199 D N 0.289 120.712 120.400 0.038 0.000 2.468 199 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 199 D C 0.479 176.828 176.300 0.081 0.000 1.155 199 D CA -0.112 53.923 54.000 0.057 0.000 0.924 199 D CB 0.421 41.262 40.800 0.069 0.000 1.029 199 D HN -0.138 nan 8.370 nan 0.000 0.515 200 S N 3.144 118.888 115.700 0.073 0.000 2.419 200 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 200 S C 1.721 176.407 174.600 0.144 0.000 1.016 200 S CA 0.642 58.914 58.200 0.120 0.000 0.974 200 S CB 0.038 63.283 63.200 0.075 0.000 0.786 200 S HN 0.575 nan 8.310 nan 0.000 0.492 201 K N 1.205 121.660 120.400 0.091 0.000 2.057 201 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 201 K C 2.241 178.888 176.600 0.078 0.000 1.050 201 K CA 1.005 57.333 56.287 0.068 0.000 0.935 201 K CB -0.212 32.315 32.500 0.044 0.000 0.715 201 K HN 0.270 nan 8.250 nan 0.000 0.439 202 M N 0.048 119.706 119.600 0.097 0.000 2.108 202 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 202 M C 1.903 178.285 176.300 0.137 0.000 1.066 202 M CA 1.593 56.953 55.300 0.099 0.000 1.107 202 M CB -0.185 32.477 32.600 0.103 0.000 1.356 202 M HN 0.224 nan 8.290 nan 0.000 0.406 203 F N 0.103 120.064 119.950 0.018 0.000 2.134 203 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 203 F C 2.349 178.166 175.800 0.030 0.000 1.097 203 F CA 1.849 59.863 58.000 0.024 0.000 1.264 203 F CB -0.649 38.361 39.000 0.015 0.000 1.001 203 F HN 0.064 nan 8.300 nan 0.000 0.479 204 S N -0.333 115.346 115.700 -0.036 0.000 2.356 204 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 204 S C 1.964 176.499 174.600 -0.108 0.000 1.032 204 S CA 1.853 59.978 58.200 -0.124 0.000 1.005 204 S CB -0.760 62.430 63.200 -0.017 0.000 0.867 204 S HN 0.503 nan 8.310 nan 0.000 0.449 205 T N 2.753 117.281 114.554 -0.043 0.000 2.665 205 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 205 T C 1.752 176.422 174.700 -0.050 0.000 1.035 205 T CA 1.334 63.417 62.100 -0.028 0.000 1.151 205 T CB -0.556 68.310 68.868 -0.003 0.000 0.862 205 T HN 0.164 nan 8.240 nan 0.000 0.438 206 L N 0.966 122.145 121.223 -0.073 0.000 2.042 206 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 206 L C 2.240 179.031 176.870 -0.133 0.000 1.076 206 L CA 1.479 56.271 54.840 -0.080 0.000 0.749 206 L CB -0.853 41.186 42.059 -0.033 0.000 0.893 206 L HN 0.275 nan 8.230 nan 0.000 0.432 207 L N -0.476 120.594 121.223 -0.253 0.000 2.043 207 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 207 L C 2.292 179.114 176.870 -0.080 0.000 1.075 207 L CA 1.524 56.242 54.840 -0.203 0.000 0.752 207 L CB -0.810 41.087 42.059 -0.269 0.000 0.891 207 L HN 0.418 nan 8.230 nan 0.000 0.432 208 N N -0.125 118.574 118.700 -0.001 0.000 2.207 208 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 208 N C 1.708 177.282 175.510 0.107 0.000 1.020 208 N CA 0.990 54.140 53.050 0.167 0.000 0.858 208 N CB -0.120 38.463 38.487 0.160 0.000 0.991 208 N HN 0.424 nan 8.380 nan 0.000 0.427 209 E N 0.233 120.444 120.200 0.019 0.000 2.130 209 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 209 E C 1.403 177.975 176.600 -0.047 0.000 0.998 209 E CA 1.027 57.423 56.400 -0.006 0.000 0.806 209 E CB -0.134 29.548 29.700 -0.030 0.000 0.738 209 E HN 0.329 nan 8.360 nan 0.000 0.459 210 C N 0.392 119.639 119.300 -0.088 0.000 2.576 210 C HA 0.066 4.525 4.460 -0.000 0.000 0.267 210 C C 0.398 175.243 174.990 -0.241 0.000 1.364 210 C CA -0.143 58.795 59.018 -0.133 0.000 1.723 210 C CB -1.076 26.593 27.740 -0.119 0.000 1.778 210 C HN 0.435 nan 8.230 nan 0.000 0.572 211 Q N -0.713 118.865 119.800 -0.369 0.000 2.487 211 Q HA -0.218 4.122 4.340 -0.000 0.000 0.279 211 Q C 0.405 175.867 176.000 -0.897 0.000 1.228 211 Q CA 0.390 55.641 55.803 -0.920 0.000 0.873 211 Q CB -1.964 26.460 28.738 -0.524 0.000 1.260 211 Q HN 0.671 nan 8.270 nan 0.000 0.471 212 L N -0.255 120.634 121.223 -0.555 0.000 2.645 212 L HA -0.026 4.314 4.340 -0.000 0.000 0.235 212 L C 1.628 178.381 176.870 -0.194 0.000 1.150 212 L CA 0.526 55.192 54.840 -0.289 0.000 0.911 212 L CB -0.520 41.489 42.059 -0.083 0.000 1.077 212 L HN 0.433 nan 8.230 nan 0.000 0.438 213 Y N -2.749 117.540 120.300 -0.020 0.000 2.490 213 Y HA 0.144 4.694 4.550 -0.000 0.000 0.285 213 Y C 1.034 176.914 175.900 -0.033 0.000 1.117 213 Y CA -0.984 57.103 58.100 -0.022 0.000 1.262 213 Y CB -0.501 37.940 38.460 -0.031 0.000 1.043 213 Y HN 0.012 nan 8.280 nan 0.000 0.553 214 D N 3.274 123.675 120.400 0.001 0.000 2.412 214 D HA 0.021 4.661 4.640 -0.000 0.000 0.257 214 D C -1.821 174.468 176.300 -0.018 0.000 1.217 214 D CA -2.120 51.904 54.000 0.040 0.000 0.897 214 D CB 1.365 42.129 40.800 -0.060 0.000 1.132 214 D HN 0.079 nan 8.370 nan 0.000 0.493 215 P HA -0.036 nan 4.420 nan 0.000 0.226 215 P C 0.411 177.659 177.300 -0.086 0.000 1.153 215 P CA 0.576 63.644 63.100 -0.055 0.000 0.777 215 P CB 0.255 31.932 31.700 -0.038 0.000 0.794 216 N N -0.955 117.705 118.700 -0.067 0.000 2.398 216 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 216 N C -0.189 175.266 175.510 -0.092 0.000 1.122 216 N CA 0.385 53.391 53.050 -0.074 0.000 0.866 216 N CB 0.466 38.923 38.487 -0.051 0.000 0.970 216 N HN 0.063 nan 8.380 nan 0.000 0.462 217 V N 1.821 121.670 119.914 -0.108 0.000 2.376 217 V HA 0.218 4.338 4.120 -0.000 0.000 0.287 217 V C 0.078 176.088 176.094 -0.139 0.000 1.015 217 V CA -0.760 61.464 62.300 -0.127 0.000 0.834 217 V CB 2.224 33.963 31.823 -0.140 0.000 1.001 217 V HN -0.212 nan 8.190 nan 0.000 0.428 218 V N 6.056 125.886 119.914 -0.139 0.000 2.521 218 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 218 V C 0.289 176.312 176.094 -0.119 0.000 1.034 218 V CA -0.256 61.974 62.300 -0.117 0.000 1.045 218 V CB 1.107 32.886 31.823 -0.072 0.000 0.974 218 V HN 0.755 nan 8.190 nan 0.000 0.480 219 K N 3.775 124.135 120.400 -0.066 0.000 2.159 219 K HA 0.616 4.935 4.320 -0.000 0.000 0.266 219 K C -0.872 175.677 176.600 -0.085 0.000 0.975 219 K CA -0.351 55.836 56.287 -0.167 0.000 0.865 219 K CB 1.864 34.266 32.500 -0.164 0.000 1.087 219 K HN 0.410 nan 8.250 nan 0.000 0.446 220 V N 4.729 124.475 119.914 -0.279 0.000 2.325 220 V HA 0.356 4.476 4.120 -0.000 0.000 0.280 220 V C -0.963 174.938 176.094 -0.321 0.000 1.016 220 V CA -0.781 61.404 62.300 -0.191 0.000 0.818 220 V CB -0.053 31.625 31.823 -0.242 0.000 1.019 220 V HN 0.569 nan 8.190 nan 0.000 0.434 221 F N 3.430 123.305 119.950 -0.126 0.000 2.427 221 F HA 0.529 5.056 4.527 -0.000 0.000 0.352 221 F C 0.331 175.794 175.800 -0.562 0.000 1.100 221 F CA -0.285 57.520 58.000 -0.326 0.000 1.191 221 F CB 1.465 40.243 39.000 -0.369 0.000 1.128 221 F HN 0.171 nan 8.300 nan 0.000 0.533 222 V N 3.102 122.859 119.914 -0.262 0.000 2.483 222 V HA 0.669 4.789 4.120 -0.000 0.000 0.297 222 V C -0.460 175.534 176.094 -0.166 0.000 1.027 222 V CA -0.933 61.226 62.300 -0.236 0.000 0.855 222 V CB 1.618 33.365 31.823 -0.127 0.000 0.995 222 V HN 0.844 nan 8.190 nan 0.000 0.424 223 A N 3.676 126.420 122.820 -0.127 0.000 2.508 223 A HA 0.554 4.873 4.320 -0.000 0.000 0.336 223 A C -0.099 177.510 177.584 0.042 0.000 1.360 223 A CA -0.415 51.629 52.037 0.011 0.000 0.841 223 A CB 0.227 19.311 19.000 0.140 0.000 1.136 223 A HN 0.802 nan 8.150 nan 0.000 0.489 224 E N 2.177 122.401 120.200 0.039 0.000 1.996 224 E HA 0.352 4.702 4.350 -0.000 0.000 0.280 224 E C -0.151 176.510 176.600 0.101 0.000 1.092 224 E CA -0.296 56.142 56.400 0.064 0.000 0.862 224 E CB 0.363 30.098 29.700 0.059 0.000 1.066 224 E HN 0.623 nan 8.360 nan 0.000 0.396 225 V N 3.694 123.664 119.914 0.093 0.000 5.637 225 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 225 V C 0.987 177.140 176.094 0.099 0.000 0.678 225 V CA 1.485 63.822 62.300 0.062 0.000 0.578 225 V CB -2.320 29.599 31.823 0.160 0.000 0.235 225 V HN 0.761 nan 8.190 nan 0.000 0.609 226 S N -1.158 114.590 115.700 0.079 0.000 3.148 226 S HA 0.232 4.702 4.470 -0.000 0.000 0.246 226 S C 1.107 175.769 174.600 0.103 0.000 1.041 226 S CA 0.317 58.612 58.200 0.159 0.000 0.813 226 S CB -0.048 63.209 63.200 0.096 0.000 0.813 226 S HN 0.346 nan 8.310 nan 0.000 0.546 227 L N 2.750 123.995 121.223 0.037 0.000 2.447 227 L HA 0.229 4.569 4.340 -0.000 0.000 0.225 227 L C 2.567 179.409 176.870 -0.046 0.000 1.148 227 L CA 0.983 55.827 54.840 0.007 0.000 0.808 227 L CB -1.434 40.642 42.059 0.028 0.000 0.928 227 L HN 0.581 nan 8.230 nan 0.000 0.448 228 A N -1.938 120.790 122.820 -0.154 0.000 2.015 228 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 228 A C 1.935 179.317 177.584 -0.338 0.000 1.163 228 A CA 1.019 52.873 52.037 -0.306 0.000 0.646 228 A CB -0.633 18.067 19.000 -0.500 0.000 0.806 228 A HN 0.469 nan 8.150 nan 0.000 0.448 229 Y N -0.811 119.457 120.300 -0.053 0.000 2.523 229 Y HA 0.252 4.802 4.550 -0.000 0.000 0.279 229 Y C 1.082 176.977 175.900 -0.009 0.000 1.139 229 Y CA -0.139 57.938 58.100 -0.040 0.000 1.296 229 Y CB -0.166 38.294 38.460 -0.001 0.000 1.045 229 Y HN 0.183 nan 8.280 nan 0.000 0.538 230 M N 0.362 120.026 119.600 0.107 0.000 2.359 230 M HA 0.220 4.700 4.480 -0.000 0.000 0.322 230 M C -0.001 176.321 176.300 0.036 0.000 1.166 230 M CA -0.486 54.856 55.300 0.069 0.000 1.067 230 M CB 0.919 33.540 32.600 0.035 0.000 1.523 230 M HN -0.104 nan 8.290 nan 0.000 0.467 231 K N 1.553 121.972 120.400 0.032 0.000 2.414 231 K HA 0.033 4.353 4.320 -0.000 0.000 0.272 231 K C -1.869 174.743 176.600 0.020 0.000 0.993 231 K CA -0.987 55.311 56.287 0.018 0.000 0.964 231 K CB -0.056 32.453 32.500 0.014 0.000 0.925 231 K HN 0.279 nan 8.250 nan 0.000 0.487 232 P HA -0.227 nan 4.420 nan 0.000 0.214 232 P C 0.350 177.681 177.300 0.052 0.000 1.163 232 P CA 1.459 64.610 63.100 0.086 0.000 0.889 232 P CB 0.169 31.895 31.700 0.044 0.000 0.790 233 E N -0.226 119.984 120.200 0.018 0.000 2.070 233 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 233 E C 2.163 178.756 176.600 -0.012 0.000 1.004 233 E CA 1.239 57.640 56.400 0.002 0.000 0.805 233 E CB -0.561 29.137 29.700 -0.005 0.000 0.744 233 E HN 0.216 nan 8.360 nan 0.000 0.451 234 R N 0.517 121.011 120.500 -0.010 0.000 2.115 234 R HA -0.056 4.283 4.340 -0.000 0.000 0.226 234 R C 2.644 178.912 176.300 -0.053 0.000 1.100 234 R CA 1.496 57.583 56.100 -0.022 0.000 0.980 234 R CB -0.105 30.191 30.300 -0.007 0.000 0.875 234 R HN 0.240 nan 8.270 nan 0.000 0.445 235 S N 0.344 116.012 115.700 -0.052 0.000 2.425 235 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 235 S C 1.341 175.850 174.600 -0.152 0.000 1.024 235 S CA 0.745 58.888 58.200 -0.094 0.000 0.951 235 S CB 0.014 63.174 63.200 -0.067 0.000 0.796 235 S HN 0.132 nan 8.310 nan 0.000 0.498 236 D N 2.052 122.379 120.400 -0.121 0.000 2.221 236 D HA -0.013 4.627 4.640 -0.000 0.000 0.204 236 D C 1.944 178.148 176.300 -0.160 0.000 0.982 236 D CA 1.030 54.928 54.000 -0.171 0.000 0.857 236 D CB -0.274 40.478 40.800 -0.080 0.000 0.934 236 D HN 0.437 nan 8.370 nan 0.000 0.475 237 S N 0.490 116.127 115.700 -0.106 0.000 2.345 237 S HA -0.090 4.380 4.470 -0.000 0.000 0.220 237 S C 2.075 176.636 174.600 -0.065 0.000 1.031 237 S CA 0.374 58.533 58.200 -0.068 0.000 0.996 237 S CB 0.063 63.242 63.200 -0.035 0.000 0.882 237 S HN 0.214 nan 8.310 nan 0.000 0.445 238 I N 1.945 122.435 120.570 -0.133 0.000 2.151 238 I HA -0.182 3.987 4.170 -0.000 0.000 0.243 238 I C 2.176 178.241 176.117 -0.086 0.000 1.080 238 I CA 1.409 62.598 61.300 -0.184 0.000 1.339 238 I CB -1.390 36.388 38.000 -0.371 0.000 1.039 238 I HN 0.280 nan 8.210 nan 0.000 0.409 239 I N 0.553 120.961 120.570 -0.269 0.000 2.179 239 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 239 I C 2.638 178.663 176.117 -0.153 0.000 1.088 239 I CA 1.429 62.458 61.300 -0.452 0.000 1.357 239 I CB -0.388 37.118 38.000 -0.823 0.000 1.051 239 I HN 0.268 nan 8.210 nan 0.000 0.409 240 E N 1.131 121.240 120.200 -0.151 0.000 2.038 240 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 240 E C 2.293 178.855 176.600 -0.064 0.000 1.000 240 E CA 1.505 57.840 56.400 -0.108 0.000 0.803 240 E CB -0.104 29.540 29.700 -0.094 0.000 0.750 240 E HN 0.463 nan 8.360 nan 0.000 0.448 241 A N 0.295 123.117 122.820 0.004 0.000 1.917 241 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 241 A C 2.433 180.012 177.584 -0.009 0.000 1.182 241 A CA 2.591 54.651 52.037 0.038 0.000 0.633 241 A CB -1.320 17.788 19.000 0.180 0.000 0.819 241 A HN 0.543 nan 8.150 nan 0.000 0.448 242 T N -1.909 112.643 114.554 -0.004 0.000 2.995 242 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 242 T C 1.959 176.647 174.700 -0.022 0.000 1.091 242 T CA 1.672 63.683 62.100 -0.147 0.000 1.128 242 T CB -0.697 67.887 68.868 -0.473 0.000 0.891 242 T HN 0.733 nan 8.240 nan 0.000 0.492 243 S N 1.887 117.506 115.700 -0.136 0.000 2.419 243 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 243 S C 1.961 176.411 174.600 -0.249 0.000 1.016 243 S CA 0.398 58.302 58.200 -0.494 0.000 0.974 243 S CB -0.395 62.431 63.200 -0.624 0.000 0.786 243 S HN 0.364 nan 8.310 nan 0.000 0.492 244 K N 0.894 121.219 120.400 -0.125 0.000 2.211 244 K HA 0.164 4.483 4.320 -0.000 0.000 0.203 244 K C 0.576 177.167 176.600 -0.016 0.000 1.050 244 K CA 0.373 56.619 56.287 -0.069 0.000 0.945 244 K CB -0.605 31.867 32.500 -0.045 0.000 0.732 244 K HN 0.451 nan 8.250 nan 0.000 0.451 245 M N 2.107 121.724 119.600 0.029 0.000 2.364 245 M HA 0.074 4.553 4.480 -0.000 0.000 0.342 245 M C 0.254 176.597 176.300 0.071 0.000 1.601 245 M CA -0.214 55.141 55.300 0.093 0.000 1.156 245 M CB -0.550 32.170 32.600 0.199 0.000 1.912 245 M HN 0.083 nan 8.290 nan 0.000 0.460 246 E N 4.204 124.425 120.200 0.035 0.000 2.417 246 E HA -0.025 4.325 4.350 -0.000 0.000 0.261 246 E C -0.347 176.217 176.600 -0.061 0.000 1.000 246 E CA 0.181 56.575 56.400 -0.009 0.000 0.919 246 E CB 0.272 29.959 29.700 -0.021 0.000 0.955 246 E HN 0.580 nan 8.360 nan 0.000 0.455 247 N N 2.415 121.045 118.700 -0.117 0.000 2.765 247 N HA -0.137 4.602 4.740 -0.000 0.000 0.254 247 N C -1.791 173.671 175.510 -0.080 0.000 1.094 247 N CA 0.868 53.673 53.050 -0.409 0.000 0.680 247 N CB -1.338 36.806 38.487 -0.572 0.000 0.902 247 N HN 0.244 nan 8.380 nan 0.000 0.557 248 S N 0.484 116.319 115.700 0.225 0.000 2.521 248 S HA 0.454 4.923 4.470 -0.000 0.000 0.295 248 S C -0.431 174.463 174.600 0.490 0.000 1.098 248 S CA -0.720 57.735 58.200 0.425 0.000 0.999 248 S CB 1.928 65.488 63.200 0.599 0.000 1.034 248 S HN 0.256 nan 8.310 nan 0.000 0.483 249 H N 0.955 120.275 119.070 0.416 0.000 2.483 249 H HA 0.443 4.999 4.556 -0.000 0.000 0.338 249 H C -1.368 174.183 175.328 0.372 0.000 1.152 249 H CA -0.309 55.939 56.048 0.332 0.000 1.264 249 H CB 1.346 31.218 29.762 0.183 0.000 1.510 249 H HN 0.505 nan 8.280 nan 0.000 0.530 250 F N 2.364 122.413 119.950 0.164 0.000 2.499 250 F HA 0.372 4.899 4.527 -0.000 0.000 0.333 250 F C -0.830 175.020 175.800 0.083 0.000 1.138 250 F CA -0.632 57.411 58.000 0.072 0.000 0.945 250 F CB 0.726 39.577 39.000 -0.249 0.000 1.181 250 F HN 0.322 nan 8.300 nan 0.000 0.435 251 I N 7.549 128.115 120.570 -0.007 0.000 2.330 251 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 251 I C -0.787 175.346 176.117 0.028 0.000 1.001 251 I CA -0.548 60.756 61.300 0.007 0.000 1.193 251 I CB 1.650 39.570 38.000 -0.132 0.000 1.345 251 I HN 0.506 nan 8.210 nan 0.000 0.461 252 I N 7.480 128.128 120.570 0.130 0.000 2.466 252 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 252 I C -1.456 174.705 176.117 0.073 0.000 1.026 252 I CA -0.747 60.658 61.300 0.174 0.000 1.078 252 I CB 2.001 40.209 38.000 0.347 0.000 1.249 252 I HN 0.503 nan 8.210 nan 0.000 0.429 253 L N 8.745 130.008 121.223 0.067 0.000 2.343 253 L HA 0.581 4.920 4.340 -0.000 0.000 0.278 253 L C -1.019 175.899 176.870 0.080 0.000 0.996 253 L CA 0.114 54.995 54.840 0.067 0.000 0.831 253 L CB 0.902 43.000 42.059 0.065 0.000 1.232 253 L HN 0.736 nan 8.230 nan 0.000 0.413 254 E N 2.428 122.658 120.200 0.050 0.000 2.439 254 E HA 0.340 4.690 4.350 -0.000 0.000 0.279 254 E C -1.655 174.816 176.600 -0.215 0.000 1.077 254 E CA -1.150 55.222 56.400 -0.047 0.000 0.849 254 E CB 0.902 30.551 29.700 -0.085 0.000 1.408 254 E HN 0.342 nan 8.360 nan 0.000 0.457 255 Q N 0.497 120.071 119.800 -0.376 0.000 2.340 255 Q HA 0.488 4.827 4.340 -0.000 0.000 0.249 255 Q C -0.729 175.105 176.000 -0.276 0.000 0.957 255 Q CA 0.208 55.703 55.803 -0.513 0.000 0.882 255 Q CB 0.891 29.347 28.738 -0.471 0.000 1.235 255 Q HN 0.369 nan 8.270 nan 0.000 0.439 256 L N 2.388 123.462 121.223 -0.249 0.000 2.319 256 L HA 0.588 4.928 4.340 -0.000 0.000 0.267 256 L C -0.133 176.649 176.870 -0.148 0.000 1.011 256 L CA -0.922 53.813 54.840 -0.176 0.000 0.818 256 L CB 1.459 43.397 42.059 -0.202 0.000 1.316 256 L HN 0.676 nan 8.230 nan 0.000 0.432 257 I N -1.858 118.644 120.570 -0.114 0.000 2.905 257 I HA 0.339 4.508 4.170 -0.000 0.000 0.297 257 I C -2.242 173.816 176.117 -0.098 0.000 1.358 257 I CA -1.784 59.470 61.300 -0.077 0.000 0.975 257 I CB 0.691 38.700 38.000 0.016 0.000 1.857 257 I HN 0.293 nan 8.210 nan 0.000 0.612 258 P HA -0.200 nan 4.420 nan 0.000 0.218 258 P C 0.878 178.140 177.300 -0.065 0.000 1.152 258 P CA 1.611 64.622 63.100 -0.148 0.000 0.857 258 P CB 0.093 31.653 31.700 -0.233 0.000 0.787 259 K N -1.032 119.368 120.400 -0.001 0.000 2.514 259 K HA 0.441 4.761 4.320 -0.000 0.000 0.207 259 K C 0.868 177.575 176.600 0.179 0.000 1.035 259 K CA 0.257 56.598 56.287 0.091 0.000 1.113 259 K CB 0.417 33.014 32.500 0.162 0.000 0.846 259 K HN 0.219 nan 8.250 nan 0.000 0.491 260 G N 1.641 110.509 108.800 0.113 0.000 2.631 260 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.504 260 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.504 260 G C -2.552 172.389 174.900 0.068 0.000 1.306 260 G CA -0.823 44.345 45.100 0.114 0.000 0.897 260 G HN -0.080 nan 8.290 nan 0.000 0.520 261 P HA 0.238 nan 4.420 nan 0.000 0.236 261 P C 1.203 178.263 177.300 -0.399 0.000 1.177 261 P CA 0.849 63.756 63.100 -0.321 0.000 0.773 261 P CB -0.010 31.323 31.700 -0.611 0.000 0.878 262 F N -1.111 118.919 119.950 0.133 0.000 2.721 262 F HA 0.151 4.678 4.527 -0.000 0.000 0.301 262 F C 1.295 176.872 175.800 -0.371 0.000 1.096 262 F CA -0.380 57.590 58.000 -0.051 0.000 1.308 262 F CB 0.012 39.044 39.000 0.053 0.000 1.086 262 F HN -0.195 nan 8.300 nan 0.000 0.587 263 E N 2.891 123.160 120.200 0.115 0.000 2.502 263 E HA -0.087 4.262 4.350 -0.000 0.000 0.261 263 E C -1.750 174.804 176.600 -0.077 0.000 0.974 263 E CA -1.085 55.338 56.400 0.039 0.000 0.936 263 E CB 0.947 30.872 29.700 0.376 0.000 0.926 263 E HN 0.047 nan 8.360 nan 0.000 0.459 264 P HA -0.196 nan 4.420 nan 0.000 0.217 264 P C 1.210 178.550 177.300 0.066 0.000 1.162 264 P CA 1.469 64.524 63.100 -0.076 0.000 0.901 264 P CB -0.158 31.539 31.700 -0.005 0.000 0.793 265 F N -0.103 119.864 119.950 0.029 0.000 2.163 265 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 265 F C 2.209 177.973 175.800 -0.060 0.000 1.094 265 F CA 1.301 59.286 58.000 -0.025 0.000 1.290 265 F CB -0.419 38.508 39.000 -0.122 0.000 1.017 265 F HN -0.174 nan 8.300 nan 0.000 0.483 266 S N 0.547 116.448 115.700 0.337 0.000 2.359 266 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 266 S C 2.017 176.651 174.600 0.056 0.000 1.035 266 S CA 1.586 59.960 58.200 0.290 0.000 1.018 266 S CB -0.491 62.919 63.200 0.350 0.000 0.876 266 S HN 0.363 nan 8.310 nan 0.000 0.448 267 K N 0.849 121.254 120.400 0.008 0.000 2.032 267 K HA -0.238 4.081 4.320 -0.000 0.000 0.209 267 K C 2.423 178.993 176.600 -0.049 0.000 1.048 267 K CA 1.730 57.992 56.287 -0.042 0.000 0.927 267 K CB -0.201 32.280 32.500 -0.031 0.000 0.712 267 K HN 0.177 nan 8.250 nan 0.000 0.441 268 Q N 0.835 120.587 119.800 -0.080 0.000 2.079 268 Q HA -0.151 4.188 4.340 -0.000 0.000 0.200 268 Q C 2.025 177.962 176.000 -0.105 0.000 0.974 268 Q CA 1.957 57.707 55.803 -0.089 0.000 0.840 268 Q CB -0.190 28.473 28.738 -0.126 0.000 0.898 268 Q HN 0.436 nan 8.270 nan 0.000 0.430 269 M N -0.829 118.651 119.600 -0.200 0.000 2.086 269 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 269 M C 1.645 177.893 176.300 -0.086 0.000 1.067 269 M CA 1.520 56.618 55.300 -0.336 0.000 1.116 269 M CB -0.088 32.338 32.600 -0.290 0.000 1.348 269 M HN 0.353 nan 8.290 nan 0.000 0.407 270 L N 0.224 121.450 121.223 0.004 0.000 2.046 270 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 270 L C 2.805 179.715 176.870 0.066 0.000 1.077 270 L CA 1.227 56.105 54.840 0.064 0.000 0.747 270 L CB -1.009 41.045 42.059 -0.008 0.000 0.896 270 L HN 0.454 nan 8.230 nan 0.000 0.432 271 A N -0.352 122.479 122.820 0.019 0.000 1.873 271 A HA -0.300 4.020 4.320 -0.000 0.000 0.215 271 A C 2.126 179.721 177.584 0.018 0.000 1.186 271 A CA 1.888 53.936 52.037 0.018 0.000 0.616 271 A CB -0.944 18.061 19.000 0.008 0.000 0.823 271 A HN 0.574 nan 8.150 nan 0.000 0.442 272 H N -1.827 117.172 119.070 -0.118 0.000 2.422 272 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 272 H C 1.552 176.748 175.328 -0.221 0.000 1.098 272 H CA 2.192 58.123 56.048 -0.194 0.000 1.315 272 H CB -0.275 29.305 29.762 -0.302 0.000 1.382 272 H HN 0.505 nan 8.280 nan 0.000 0.523 273 F N 0.188 120.113 119.950 -0.042 0.000 2.219 273 F HA 0.064 4.591 4.527 -0.000 0.000 0.294 273 F C 2.691 178.477 175.800 -0.023 0.000 1.086 273 F CA 0.694 58.677 58.000 -0.028 0.000 1.330 273 F CB -0.059 38.968 39.000 0.045 0.000 1.047 273 F HN 0.045 nan 8.300 nan 0.000 0.495 274 K N 1.135 121.633 120.400 0.164 0.000 2.063 274 K HA -0.232 4.087 4.320 -0.000 0.000 0.208 274 K C 2.067 178.692 176.600 0.041 0.000 1.048 274 K CA 1.819 58.160 56.287 0.089 0.000 0.928 274 K CB -0.153 32.379 32.500 0.052 0.000 0.713 274 K HN 0.233 nan 8.250 nan 0.000 0.442 275 R N -0.507 119.992 120.500 -0.001 0.000 2.313 275 R HA 0.055 4.395 4.340 -0.000 0.000 0.199 275 R C 0.411 176.688 176.300 -0.038 0.000 0.958 275 R CA 0.840 56.926 56.100 -0.024 0.000 1.047 275 R CB 0.053 30.333 30.300 -0.033 0.000 0.955 275 R HN 0.053 nan 8.270 nan 0.000 0.481 276 N N 0.999 119.672 118.700 -0.045 0.000 2.203 276 N HA 0.034 4.773 4.740 -0.000 0.000 0.207 276 N C -0.920 174.635 175.510 0.074 0.000 1.130 276 N CA 0.088 53.122 53.050 -0.027 0.000 0.861 276 N CB 0.562 38.968 38.487 -0.136 0.000 1.005 276 N HN 0.143 nan 8.380 nan 0.000 0.507 277 D N -0.379 120.073 120.400 0.086 0.000 2.699 277 D HA -0.138 4.502 4.640 -0.000 0.000 0.239 277 D C -0.775 175.606 176.300 0.136 0.000 1.136 277 D CA 1.102 55.176 54.000 0.124 0.000 0.668 277 D CB -1.821 39.114 40.800 0.225 0.000 1.060 277 D HN 0.358 nan 8.370 nan 0.000 0.429 278 S N -2.458 113.330 115.700 0.146 0.000 2.630 278 S HA 0.335 4.804 4.470 -0.000 0.000 0.173 278 S C -2.641 172.137 174.600 0.297 0.000 1.048 278 S CA -1.054 57.236 58.200 0.149 0.000 1.172 278 S CB 1.733 64.935 63.200 0.003 0.000 1.638 278 S HN -0.010 nan 8.310 nan 0.000 0.429 279 P HA 0.136 nan 4.420 nan 0.000 0.267 279 P C -0.220 177.144 177.300 0.107 0.000 1.200 279 P CA -0.189 63.010 63.100 0.166 0.000 0.772 279 P CB 0.638 32.395 31.700 0.094 0.000 0.855 280 L N 2.865 124.059 121.223 -0.048 0.000 2.361 280 L HA 0.118 4.458 4.340 -0.000 0.000 0.278 280 L C 1.808 178.625 176.870 -0.089 0.000 1.113 280 L CA 0.255 54.976 54.840 -0.199 0.000 0.849 280 L CB -0.167 41.690 42.059 -0.336 0.000 1.155 280 L HN 0.446 nan 8.230 nan 0.000 0.452 281 Q N 0.866 120.626 119.800 -0.067 0.000 2.471 281 Q HA 0.009 4.349 4.340 -0.000 0.000 0.241 281 Q C 2.014 177.995 176.000 -0.031 0.000 0.886 281 Q CA 0.229 56.014 55.803 -0.031 0.000 0.953 281 Q CB 0.665 29.406 28.738 0.006 0.000 1.108 281 Q HN 0.768 nan 8.270 nan 0.000 0.575 282 S N 0.573 116.261 115.700 -0.020 0.000 2.370 282 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 282 S C 1.942 176.580 174.600 0.064 0.000 1.033 282 S CA 1.239 59.474 58.200 0.059 0.000 1.011 282 S CB -0.344 62.897 63.200 0.068 0.000 0.852 282 S HN 0.291 nan 8.310 nan 0.000 0.457 283 V N 2.513 122.417 119.914 -0.016 0.000 2.380 283 V HA -0.165 3.955 4.120 -0.000 0.000 0.251 283 V C 1.826 177.891 176.094 -0.048 0.000 1.063 283 V CA 1.626 63.909 62.300 -0.028 0.000 1.055 283 V CB -0.555 31.212 31.823 -0.094 0.000 0.657 283 V HN 0.510 nan 8.190 nan 0.000 0.455 284 L N -0.268 120.912 121.223 -0.071 0.000 2.187 284 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 284 L C 2.540 179.331 176.870 -0.132 0.000 1.100 284 L CA 2.343 57.129 54.840 -0.090 0.000 0.765 284 L CB -0.630 41.381 42.059 -0.080 0.000 0.904 284 L HN 0.409 nan 8.230 nan 0.000 0.437 285 K N -0.201 120.077 120.400 -0.203 0.000 2.214 285 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 285 K C 0.105 176.389 176.600 -0.526 0.000 1.049 285 K CA 0.318 56.352 56.287 -0.421 0.000 0.978 285 K CB 0.273 32.390 32.500 -0.639 0.000 0.842 285 K HN 0.128 nan 8.250 nan 0.000 0.474 286 Y N 1.874 122.143 120.300 -0.052 0.000 2.958 286 Y HA 0.232 4.782 4.550 -0.000 0.000 0.336 286 Y C 0.312 176.174 175.900 -0.063 0.000 1.160 286 Y CA -1.092 56.979 58.100 -0.049 0.000 1.292 286 Y CB 0.583 39.020 38.460 -0.040 0.000 1.306 286 Y HN 0.089 nan 8.280 nan 0.000 0.547 287 N N 0.324 119.036 118.700 0.019 0.000 2.084 287 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 287 N C 0.988 176.480 175.510 -0.031 0.000 1.030 287 N CA 1.557 54.596 53.050 -0.019 0.000 0.849 287 N CB -0.206 38.262 38.487 -0.031 0.000 1.012 287 N HN 0.543 nan 8.380 nan 0.000 0.423 288 T N -2.394 112.154 114.554 -0.011 0.000 2.937 288 T HA 0.482 4.831 4.350 -0.000 0.000 0.283 288 T C 1.580 176.259 174.700 -0.036 0.000 1.012 288 T CA -0.753 61.322 62.100 -0.042 0.000 0.997 288 T CB 0.970 69.815 68.868 -0.039 0.000 1.136 288 T HN -0.080 nan 8.240 nan 0.000 0.551 289 I N 1.113 121.643 120.570 -0.067 0.000 2.315 289 I HA -0.136 4.033 4.170 -0.000 0.000 0.248 289 I C 2.893 178.987 176.117 -0.039 0.000 1.117 289 I CA 1.384 62.643 61.300 -0.069 0.000 1.404 289 I CB -0.391 37.553 38.000 -0.094 0.000 1.071 289 I HN 0.814 nan 8.210 nan 0.000 0.419 290 E N 1.402 121.586 120.200 -0.026 0.000 2.047 290 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 290 E C 2.109 178.725 176.600 0.028 0.000 0.987 290 E CA 1.833 58.229 56.400 -0.006 0.000 0.799 290 E CB -0.768 28.926 29.700 -0.010 0.000 0.752 290 E HN 0.519 nan 8.360 nan 0.000 0.449 291 S N 1.014 116.747 115.700 0.054 0.000 2.420 291 S HA -0.201 4.269 4.470 -0.000 0.000 0.237 291 S C 1.996 176.686 174.600 0.150 0.000 1.023 291 S CA 1.109 59.391 58.200 0.137 0.000 0.991 291 S CB -0.239 63.072 63.200 0.184 0.000 0.792 291 S HN 0.132 nan 8.310 nan 0.000 0.488 292 Q N 0.732 120.570 119.800 0.064 0.000 2.119 292 Q HA 0.035 4.375 4.340 -0.000 0.000 0.201 292 Q C 2.499 178.537 176.000 0.063 0.000 0.972 292 Q CA 1.366 57.178 55.803 0.015 0.000 0.847 292 Q CB -0.603 28.113 28.738 -0.037 0.000 0.903 292 Q HN 0.618 nan 8.270 nan 0.000 0.433 293 V N 1.369 121.304 119.914 0.035 0.000 2.407 293 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 293 V C 2.324 178.465 176.094 0.079 0.000 1.041 293 V CA 1.215 63.542 62.300 0.044 0.000 1.040 293 V CB -0.482 31.346 31.823 0.009 0.000 0.671 293 V HN 0.269 nan 8.190 nan 0.000 0.455 294 Q N 0.449 120.290 119.800 0.068 0.000 2.061 294 Q HA -0.244 4.095 4.340 -0.000 0.000 0.204 294 Q C 2.254 178.297 176.000 0.071 0.000 0.984 294 Q CA 1.837 57.679 55.803 0.067 0.000 0.846 294 Q CB -0.649 28.134 28.738 0.075 0.000 0.902 294 Q HN 0.601 nan 8.270 nan 0.000 0.421 295 R N -0.187 120.355 120.500 0.070 0.000 2.097 295 R HA -0.154 4.185 4.340 -0.000 0.000 0.236 295 R C 2.211 178.469 176.300 -0.069 0.000 1.135 295 R CA 1.622 57.695 56.100 -0.044 0.000 0.934 295 R CB -0.306 29.801 30.300 -0.323 0.000 0.846 295 R HN 0.180 nan 8.270 nan 0.000 0.431 296 F N 0.858 120.744 119.950 -0.107 0.000 2.293 296 F HA -0.057 4.469 4.527 -0.000 0.000 0.300 296 F C 2.002 177.832 175.800 0.051 0.000 1.086 296 F CA 1.533 59.513 58.000 -0.032 0.000 1.375 296 F CB -0.289 38.671 39.000 -0.067 0.000 1.045 296 F HN 0.242 nan 8.300 nan 0.000 0.516 297 N N 0.022 118.818 118.700 0.161 0.000 2.106 297 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 297 N C 1.883 177.403 175.510 0.017 0.000 1.029 297 N CA 0.980 54.071 53.050 0.069 0.000 0.848 297 N CB -0.217 38.288 38.487 0.031 0.000 1.007 297 N HN 0.186 nan 8.380 nan 0.000 0.423 298 K N 1.391 121.795 120.400 0.007 0.000 2.209 298 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 298 K C 1.111 177.680 176.600 -0.051 0.000 1.048 298 K CA 0.946 57.221 56.287 -0.019 0.000 0.940 298 K CB 0.075 32.571 32.500 -0.007 0.000 0.729 298 K HN 0.203 nan 8.250 nan 0.000 0.451 299 L N -0.308 120.872 121.223 -0.072 0.000 2.818 299 L HA 0.261 4.601 4.340 -0.000 0.000 0.243 299 L C 0.751 177.549 176.870 -0.120 0.000 1.185 299 L CA 0.259 55.029 54.840 -0.118 0.000 0.988 299 L CB 0.808 42.729 42.059 -0.229 0.000 1.292 299 L HN 0.545 nan 8.230 nan 0.000 0.519 300 G N -0.282 108.452 108.800 -0.110 0.000 2.179 300 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 300 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 300 G C -0.069 174.624 174.900 -0.346 0.000 0.990 300 G CA -0.603 44.359 45.100 -0.230 0.000 0.646 300 G HN 0.176 nan 8.290 nan 0.000 0.517 301 F N 1.016 120.973 119.950 0.012 0.000 2.347 301 F HA 0.663 5.190 4.527 -0.000 0.000 0.366 301 F C 1.246 177.059 175.800 0.022 0.000 1.107 301 F CA -0.033 58.026 58.000 0.098 0.000 1.058 301 F CB 1.788 40.950 39.000 0.268 0.000 1.236 301 F HN 0.104 nan 8.300 nan 0.000 0.456 302 A N 3.053 125.877 122.820 0.007 0.000 2.021 302 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 302 A C -0.060 177.298 177.584 -0.376 0.000 1.163 302 A CA 0.684 52.528 52.037 -0.321 0.000 0.676 302 A CB -0.326 18.254 19.000 -0.699 0.000 0.818 302 A HN 0.632 nan 8.150 nan 0.000 0.453 303 Y N -0.008 120.398 120.300 0.176 0.000 2.587 303 Y HA 0.524 5.074 4.550 -0.000 0.000 0.328 303 Y C -0.420 175.636 175.900 0.260 0.000 0.980 303 Y CA -0.828 57.393 58.100 0.201 0.000 1.272 303 Y CB 0.891 39.428 38.460 0.128 0.000 1.094 303 Y HN -0.121 nan 8.280 nan 0.000 0.503 304 V N 3.109 123.158 119.914 0.224 0.000 2.459 304 V HA 0.334 4.454 4.120 -0.000 0.000 0.295 304 V C -0.557 175.393 176.094 -0.240 0.000 1.029 304 V CA -0.876 61.419 62.300 -0.007 0.000 0.874 304 V CB 1.780 33.568 31.823 -0.058 0.000 0.985 304 V HN 0.680 nan 8.190 nan 0.000 0.438 305 N N 3.907 122.264 118.700 -0.572 0.000 2.518 305 N HA 0.532 5.272 4.740 -0.000 0.000 0.254 305 N C -1.355 174.044 175.510 -0.185 0.000 0.979 305 N CA -0.232 52.406 53.050 -0.687 0.000 0.930 305 N CB 1.759 39.262 38.487 -1.640 0.000 1.152 305 N HN 0.490 nan 8.380 nan 0.000 0.505 306 V N 2.359 122.277 119.914 0.006 0.000 2.789 306 V HA 1.007 5.127 4.120 -0.000 0.000 0.311 306 V C -0.166 175.969 176.094 0.067 0.000 1.073 306 V CA -0.117 62.224 62.300 0.067 0.000 0.921 306 V CB 1.379 33.153 31.823 -0.081 0.000 1.009 306 V HN 0.771 nan 8.190 nan 0.000 0.426 307 G N 4.038 112.653 108.800 -0.309 0.000 2.623 307 G HA2 0.569 4.529 3.960 -0.000 0.000 0.290 307 G HA3 0.569 4.529 3.960 -0.000 0.000 0.290 307 G C -1.737 172.788 174.900 -0.626 0.000 1.437 307 G CA -0.222 44.401 45.100 -0.794 0.000 0.798 307 G HN 0.904 nan 8.290 nan 0.000 0.488 308 D N -0.430 119.708 120.400 -0.435 0.000 2.437 308 D HA 0.318 4.958 4.640 -0.000 0.000 0.259 308 D C 1.700 177.870 176.300 -0.217 0.000 1.118 308 D CA -0.880 52.971 54.000 -0.249 0.000 1.017 308 D CB 0.679 41.410 40.800 -0.114 0.000 1.120 308 D HN 0.148 nan 8.370 nan 0.000 0.541 309 M N -0.211 119.301 119.600 -0.147 0.000 2.144 309 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 309 M C 1.804 178.121 176.300 0.029 0.000 1.067 309 M CA 1.240 56.491 55.300 -0.080 0.000 1.095 309 M CB -1.134 31.332 32.600 -0.224 0.000 1.365 309 M HN 0.529 nan 8.290 nan 0.000 0.406 310 F N 1.237 121.097 119.950 -0.150 0.000 2.234 310 F HA -0.174 4.352 4.527 -0.000 0.000 0.299 310 F C 2.340 178.230 175.800 0.150 0.000 1.087 310 F CA 1.367 59.353 58.000 -0.024 0.000 1.340 310 F CB -0.149 38.746 39.000 -0.174 0.000 1.031 310 F HN 0.270 nan 8.300 nan 0.000 0.500 311 Q N -0.183 119.686 119.800 0.114 0.000 2.167 311 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 311 Q C 2.369 178.484 176.000 0.193 0.000 0.970 311 Q CA 1.134 56.992 55.803 0.091 0.000 0.855 311 Q CB -0.273 28.423 28.738 -0.070 0.000 0.911 311 Q HN 0.460 nan 8.270 nan 0.000 0.438 312 L N 0.064 121.409 121.223 0.203 0.000 2.093 312 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 312 L C 2.116 179.220 176.870 0.390 0.000 1.085 312 L CA 1.245 56.331 54.840 0.410 0.000 0.755 312 L CB -0.351 41.944 42.059 0.394 0.000 0.904 312 L HN 0.572 nan 8.230 nan 0.000 0.435 313 W N 1.186 122.495 121.300 0.015 0.000 2.378 313 W HA -0.212 4.447 4.660 -0.001 0.000 0.313 313 W C 2.056 178.489 176.519 -0.143 0.000 1.197 313 W CA 1.364 58.654 57.345 -0.091 0.000 1.304 313 W CB -0.023 29.227 29.460 -0.350 0.000 1.148 313 W HN 0.192 nan 8.180 nan 0.000 0.494 314 E N 0.303 120.396 120.200 -0.178 0.000 2.153 314 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 314 E C 2.299 178.847 176.600 -0.086 0.000 0.988 314 E CA 1.871 58.168 56.400 -0.173 0.000 0.811 314 E CB -0.289 29.393 29.700 -0.030 0.000 0.746 314 E HN 0.201 nan 8.360 nan 0.000 0.466 315 S N 1.033 116.754 115.700 0.034 0.000 2.402 315 S HA 0.021 4.491 4.470 -0.000 0.000 0.229 315 S C 1.228 175.843 174.600 0.026 0.000 1.021 315 S CA 0.273 58.518 58.200 0.075 0.000 0.974 315 S CB -0.164 63.155 63.200 0.198 0.000 0.800 315 S HN 0.219 nan 8.310 nan 0.000 0.484 316 A N 2.742 125.561 122.820 -0.003 0.000 2.520 316 A HA 0.372 4.692 4.320 -0.000 0.000 0.235 316 A C 0.246 177.731 177.584 -0.165 0.000 1.065 316 A CA -0.042 51.948 52.037 -0.078 0.000 0.764 316 A CB -0.334 18.503 19.000 -0.273 0.000 1.002 316 A HN 0.715 nan 8.150 nan 0.000 0.502 317 D N 1.058 121.387 120.400 -0.119 0.000 2.360 317 D HA 0.142 4.782 4.640 -0.000 0.000 0.242 317 D C 0.756 176.951 176.300 -0.174 0.000 1.184 317 D CA -0.129 53.798 54.000 -0.121 0.000 0.930 317 D CB 0.414 41.170 40.800 -0.073 0.000 1.161 317 D HN 0.615 nan 8.370 nan 0.000 0.447 318 E N -0.069 120.045 120.200 -0.142 0.000 2.085 318 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 318 E C 2.037 178.547 176.600 -0.149 0.000 0.994 318 E CA 1.331 57.643 56.400 -0.148 0.000 0.801 318 E CB -0.196 29.441 29.700 -0.106 0.000 0.743 318 E HN 0.617 nan 8.360 nan 0.000 0.453 319 A N 0.547 123.294 122.820 -0.121 0.000 1.902 319 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 319 A C 2.369 179.865 177.584 -0.148 0.000 1.181 319 A CA 1.897 53.867 52.037 -0.112 0.000 0.623 319 A CB -0.770 18.182 19.000 -0.079 0.000 0.818 319 A HN 0.175 nan 8.150 nan 0.000 0.443 320 T N -0.687 113.765 114.554 -0.171 0.000 2.821 320 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 320 T C 2.044 176.538 174.700 -0.343 0.000 1.046 320 T CA 1.733 63.696 62.100 -0.228 0.000 1.139 320 T CB -0.146 68.604 68.868 -0.198 0.000 0.871 320 T HN 0.452 nan 8.240 nan 0.000 0.454 321 K N 1.489 121.662 120.400 -0.378 0.000 2.063 321 K HA -0.039 4.280 4.320 -0.000 0.000 0.208 321 K C 2.214 178.644 176.600 -0.284 0.000 1.048 321 K CA 1.410 57.420 56.287 -0.462 0.000 0.928 321 K CB -0.124 32.098 32.500 -0.464 0.000 0.713 321 K HN 0.171 nan 8.250 nan 0.000 0.442 322 K N 0.405 120.678 120.400 -0.211 0.000 2.057 322 K HA -0.164 4.155 4.320 -0.000 0.000 0.207 322 K C 1.871 178.373 176.600 -0.164 0.000 1.049 322 K CA 1.705 57.902 56.287 -0.149 0.000 0.931 322 K CB -0.012 32.417 32.500 -0.118 0.000 0.714 322 K HN 0.220 nan 8.250 nan 0.000 0.440 323 E N 0.442 120.523 120.200 -0.198 0.000 2.058 323 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 323 E C 2.080 178.515 176.600 -0.276 0.000 0.997 323 E CA 1.377 57.646 56.400 -0.218 0.000 0.801 323 E CB -0.095 29.469 29.700 -0.226 0.000 0.746 323 E HN 0.296 nan 8.360 nan 0.000 0.450 324 L N 0.633 121.658 121.223 -0.329 0.000 2.141 324 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 324 L C 2.373 179.089 176.870 -0.255 0.000 1.094 324 L CA 0.640 55.267 54.840 -0.355 0.000 0.763 324 L CB -0.232 41.614 42.059 -0.355 0.000 0.908 324 L HN 0.152 nan 8.230 nan 0.000 0.437 325 L N -0.635 120.488 121.223 -0.166 0.000 2.275 325 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 325 L C 2.256 179.055 176.870 -0.118 0.000 1.119 325 L CA 1.136 55.911 54.840 -0.108 0.000 0.790 325 L CB -0.405 41.630 42.059 -0.041 0.000 0.919 325 L HN 0.207 nan 8.230 nan 0.000 0.443 326 K N -0.588 119.718 120.400 -0.157 0.000 2.379 326 K HA 0.030 4.350 4.320 -0.000 0.000 0.194 326 K C 1.944 178.422 176.600 -0.204 0.000 1.031 326 K CA 0.066 56.266 56.287 -0.145 0.000 1.037 326 K CB 0.451 32.874 32.500 -0.127 0.000 0.824 326 K HN 0.061 nan 8.250 nan 0.000 0.516 327 V N 1.831 121.555 119.914 -0.318 0.000 2.307 327 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 327 V C 0.877 176.750 176.094 -0.369 0.000 1.045 327 V CA 1.543 63.575 62.300 -0.446 0.000 1.024 327 V CB -0.366 30.931 31.823 -0.877 0.000 0.651 327 V HN 0.459 nan 8.190 nan 0.000 0.449 328 E N -0.686 119.329 120.200 -0.308 0.000 2.412 328 E HA 0.433 4.783 4.350 -0.000 0.000 0.279 328 E C -3.188 173.344 176.600 -0.114 0.000 0.984 328 E CA -2.301 53.981 56.400 -0.198 0.000 0.788 328 E CB 1.614 31.225 29.700 -0.150 0.000 1.277 328 E HN 0.008 nan 8.360 nan 0.000 0.455 329 P HA 0.158 nan 4.420 nan 0.000 0.271 329 P C -1.533 175.792 177.300 0.041 0.000 1.226 329 P CA 0.119 63.175 63.100 -0.074 0.000 0.765 329 P CB -0.005 31.555 31.700 -0.233 0.000 0.835 330 F N 2.842 122.749 119.950 -0.072 0.000 2.561 330 F HA 0.431 4.958 4.527 -0.000 0.000 0.313 330 F C -0.481 175.300 175.800 -0.031 0.000 1.126 330 F CA -0.552 57.400 58.000 -0.080 0.000 0.918 330 F CB 2.100 41.024 39.000 -0.128 0.000 1.199 330 F HN 0.184 nan 8.300 nan 0.000 0.444 331 D N 3.657 123.613 120.400 -0.741 0.000 3.118 331 D HA 0.167 4.806 4.640 -0.000 0.000 0.352 331 D C -0.906 174.999 176.300 -0.659 0.000 1.498 331 D CA 0.118 53.817 54.000 -0.501 0.000 0.759 331 D CB 0.253 40.940 40.800 -0.189 0.000 1.251 331 D HN 0.600 nan 8.370 nan 0.000 0.504 332 E N 0.367 119.854 120.200 -1.189 0.000 2.939 332 E HA 0.164 4.513 4.350 -0.000 0.000 0.215 332 E C 1.190 177.623 176.600 -0.278 0.000 1.025 332 E CA -0.218 55.829 56.400 -0.587 0.000 1.259 332 E CB 0.830 30.274 29.700 -0.426 0.000 1.228 332 E HN 0.146 nan 8.360 nan 0.000 0.443 333 L N 0.729 121.849 121.223 -0.171 0.000 2.079 333 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 333 L C 1.489 178.285 176.870 -0.123 0.000 1.081 333 L CA 2.039 56.852 54.840 -0.044 0.000 0.752 333 L CB 0.018 41.837 42.059 -0.401 0.000 0.896 333 L HN 0.190 nan 8.230 nan 0.000 0.433 334 E N -0.395 119.865 120.200 0.101 0.000 2.077 334 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 334 E C 2.106 178.847 176.600 0.235 0.000 0.989 334 E CA 1.563 58.108 56.400 0.241 0.000 0.800 334 E CB -0.159 29.785 29.700 0.407 0.000 0.746 334 E HN 0.582 nan 8.360 nan 0.000 0.452 335 E N -0.323 120.021 120.200 0.240 0.000 2.110 335 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 335 E C 1.713 178.495 176.600 0.304 0.000 0.988 335 E CA 0.702 57.274 56.400 0.287 0.000 0.804 335 E CB -0.142 29.716 29.700 0.265 0.000 0.745 335 E HN 0.189 nan 8.360 nan 0.000 0.458 336 F N 1.254 121.280 119.950 0.127 0.000 2.146 336 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 336 F C 2.190 178.043 175.800 0.089 0.000 1.096 336 F CA 1.487 59.561 58.000 0.122 0.000 1.275 336 F CB -0.174 38.879 39.000 0.089 0.000 1.008 336 F HN 0.049 nan 8.300 nan 0.000 0.480 337 H N 0.438 119.476 119.070 -0.054 0.000 2.267 337 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 337 H C 2.566 177.652 175.328 -0.403 0.000 1.080 337 H CA 2.084 57.909 56.048 -0.372 0.000 1.278 337 H CB -0.998 28.642 29.762 -0.202 0.000 1.365 337 H HN 0.264 nan 8.280 nan 0.000 0.489 338 L N -0.360 120.844 121.223 -0.031 0.000 1.990 338 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 338 L C 2.585 179.052 176.870 -0.672 0.000 1.072 338 L CA 1.717 56.418 54.840 -0.232 0.000 0.755 338 L CB -0.658 41.322 42.059 -0.131 0.000 0.889 338 L HN 0.183 nan 8.230 nan 0.000 0.432 339 F N 0.154 119.674 119.950 -0.717 0.000 2.095 339 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 339 F C 2.539 178.118 175.800 -0.368 0.000 1.104 339 F CA 1.704 59.332 58.000 -0.621 0.000 1.232 339 F CB -0.751 37.947 39.000 -0.504 0.000 0.987 339 F HN 0.030 nan 8.300 nan 0.000 0.475 340 C N 0.549 119.408 119.300 -0.736 0.000 2.422 340 C HA -0.177 4.283 4.460 -0.000 0.000 0.279 340 C C 2.554 177.230 174.990 -0.523 0.000 1.305 340 C CA 1.097 59.639 59.018 -0.793 0.000 1.757 340 C CB -1.648 25.746 27.740 -0.576 0.000 1.962 340 C HN 0.539 nan 8.230 nan 0.000 0.499 341 H N -1.391 117.487 119.070 -0.320 0.000 2.551 341 H HA 0.022 4.577 4.556 -0.000 0.000 0.266 341 H C 1.269 176.382 175.328 -0.359 0.000 0.977 341 H CA 0.975 56.849 56.048 -0.289 0.000 1.163 341 H CB -0.262 29.334 29.762 -0.277 0.000 1.381 341 H HN 0.645 nan 8.280 nan 0.000 0.581 342 H N -1.486 117.423 119.070 -0.269 0.000 2.586 342 H HA 0.146 4.702 4.556 -0.000 0.000 0.273 342 H C -0.507 174.579 175.328 -0.404 0.000 0.997 342 H CA 0.108 56.013 56.048 -0.238 0.000 1.177 342 H CB 0.340 30.037 29.762 -0.109 0.000 1.471 342 H HN 0.113 nan 8.280 nan 0.000 0.538 343 Y N -0.164 119.952 120.300 -0.306 0.000 2.350 343 Y HA 0.410 4.959 4.550 -0.000 0.000 0.338 343 Y C -0.417 175.345 175.900 -0.229 0.000 0.961 343 Y CA -1.050 56.888 58.100 -0.270 0.000 1.100 343 Y CB 1.713 39.936 38.460 -0.395 0.000 1.179 343 Y HN -0.173 nan 8.280 nan 0.000 0.454 344 V N 5.499 125.377 119.914 -0.060 0.000 2.630 344 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 344 V C -1.379 174.690 176.094 -0.041 0.000 1.046 344 V CA -0.884 61.362 62.300 -0.090 0.000 0.934 344 V CB 1.838 33.596 31.823 -0.107 0.000 1.003 344 V HN 0.610 nan 8.190 nan 0.000 0.451 345 L N 7.277 128.464 121.223 -0.061 0.000 2.324 345 L HA 0.590 4.930 4.340 -0.000 0.000 0.274 345 L C -0.678 176.214 176.870 0.036 0.000 1.012 345 L CA 0.113 54.965 54.840 0.020 0.000 0.859 345 L CB 0.780 42.897 42.059 0.098 0.000 1.224 345 L HN 0.774 nan 8.230 nan 0.000 0.429 346 C N 5.146 124.430 119.300 -0.026 0.000 2.281 346 C HA 0.464 4.923 4.460 -0.000 0.000 0.325 346 C C -0.400 174.530 174.990 -0.099 0.000 1.282 346 C CA -0.445 58.494 59.018 -0.132 0.000 1.640 346 C CB -0.186 27.363 27.740 -0.317 0.000 2.288 346 C HN 0.914 nan 8.230 nan 0.000 0.507 347 H N 4.700 123.652 119.070 -0.197 0.000 2.786 347 H HA 0.591 5.146 4.556 -0.000 0.000 0.284 347 H C -0.267 175.021 175.328 -0.067 0.000 1.104 347 H CA -0.218 55.770 56.048 -0.099 0.000 1.339 347 H CB 0.979 30.747 29.762 0.010 0.000 1.427 347 H HN 0.865 nan 8.280 nan 0.000 0.497 348 A N 3.825 126.560 122.820 -0.142 0.000 2.269 348 A HA 0.605 4.925 4.320 -0.000 0.000 0.319 348 A C -0.320 177.305 177.584 0.068 0.000 1.110 348 A CA -0.487 51.482 52.037 -0.113 0.000 0.847 348 A CB 1.703 20.532 19.000 -0.286 0.000 1.161 348 A HN 0.623 nan 8.150 nan 0.000 0.497 349 T N -0.023 114.710 114.554 0.299 0.000 2.900 349 T HA 0.429 4.779 4.350 -0.000 0.000 0.303 349 T C 0.084 175.134 174.700 0.584 0.000 1.142 349 T CA -0.277 61.965 62.100 0.238 0.000 1.007 349 T CB 1.044 69.767 68.868 -0.241 0.000 1.156 349 T HN 0.823 nan 8.240 nan 0.000 0.490 350 N N 0.809 119.784 118.700 0.458 0.000 2.177 350 N HA 0.123 4.863 4.740 -0.000 0.000 0.218 350 N C -0.463 175.267 175.510 0.367 0.000 1.182 350 N CA -0.363 52.882 53.050 0.324 0.000 0.882 350 N CB -0.078 38.388 38.487 -0.034 0.000 1.052 350 N HN 0.710 nan 8.380 nan 0.000 0.519 351 Y N -1.119 119.209 120.300 0.047 0.000 2.391 351 Y HA 0.488 5.038 4.550 -0.000 0.000 0.341 351 Y C 1.052 176.691 175.900 -0.435 0.000 0.965 351 Y CA -1.323 56.724 58.100 -0.088 0.000 1.067 351 Y CB 1.522 39.930 38.460 -0.087 0.000 1.199 351 Y HN -0.093 nan 8.280 nan 0.000 0.450 352 K N 0.524 120.614 120.400 -0.516 0.000 2.365 352 K HA -0.050 4.270 4.320 -0.000 0.000 0.199 352 K C 0.334 176.634 176.600 -0.500 0.000 1.045 352 K CA 1.562 57.303 56.287 -0.910 0.000 0.962 352 K CB 0.064 32.338 32.500 -0.376 0.000 0.759 352 K HN 0.703 nan 8.250 nan 0.000 0.469 353 E N 0.522 120.588 120.200 -0.224 0.000 2.333 353 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 353 E C -0.367 176.139 176.600 -0.157 0.000 1.007 353 E CA 0.578 56.932 56.400 -0.078 0.000 0.845 353 E CB -0.093 29.697 29.700 0.151 0.000 0.766 353 E HN 0.364 nan 8.360 nan 0.000 0.507 354 F N 0.576 120.174 119.950 -0.586 0.000 2.411 354 F HA 0.461 4.988 4.527 -0.000 0.000 0.350 354 F C -0.210 175.219 175.800 -0.619 0.000 1.114 354 F CA -1.142 56.513 58.000 -0.574 0.000 1.135 354 F CB 0.600 39.110 39.000 -0.817 0.000 1.120 354 F HN -0.182 nan 8.300 nan 0.000 0.495 355 A N 6.688 128.878 122.820 -1.049 0.000 2.290 355 A HA 0.483 4.803 4.320 -0.000 0.000 0.310 355 A C -1.099 175.959 177.584 -0.876 0.000 1.202 355 A CA -0.544 51.029 52.037 -0.772 0.000 0.837 355 A CB -0.105 18.634 19.000 -0.435 0.000 1.139 355 A HN 0.734 nan 8.150 nan 0.000 0.509 356 F N 2.897 122.689 119.950 -0.265 0.000 2.464 356 F HA 0.214 4.741 4.527 -0.000 0.000 0.353 356 F C 1.708 177.466 175.800 -0.069 0.000 1.191 356 F CA 0.134 58.070 58.000 -0.106 0.000 1.147 356 F CB 0.549 39.544 39.000 -0.009 0.000 1.294 356 F HN 0.692 nan 8.300 nan 0.000 0.583 357 T N -0.600 114.019 114.554 0.109 0.000 2.726 357 T HA 0.075 4.425 4.350 -0.000 0.000 0.294 357 T C 1.225 175.988 174.700 0.106 0.000 1.013 357 T CA -0.609 61.542 62.100 0.085 0.000 0.996 357 T CB 0.890 69.812 68.868 0.089 0.000 1.016 357 T HN 0.664 nan 8.240 nan 0.000 0.529 358 Q N 0.719 120.543 119.800 0.040 0.000 2.096 358 Q HA -0.087 4.253 4.340 -0.000 0.000 0.208 358 Q C 2.432 178.402 176.000 -0.049 0.000 0.993 358 Q CA 1.767 57.571 55.803 0.002 0.000 0.862 358 Q CB -0.827 27.904 28.738 -0.012 0.000 0.915 358 Q HN 0.967 nan 8.270 nan 0.000 0.416 359 G N -1.462 107.267 108.800 -0.117 0.000 2.776 359 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.209 359 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.209 359 G C 0.651 175.185 174.900 -0.610 0.000 1.145 359 G CA 0.215 45.101 45.100 -0.356 0.000 0.791 359 G HN 0.256 nan 8.290 nan 0.000 0.530 360 F N -1.488 118.417 119.950 -0.073 0.000 2.831 360 F HA 0.397 4.924 4.527 -0.000 0.000 0.334 360 F C 0.494 176.090 175.800 -0.341 0.000 1.071 360 F CA -0.800 57.104 58.000 -0.160 0.000 1.172 360 F CB 0.625 39.604 39.000 -0.035 0.000 1.054 360 F HN -0.044 nan 8.300 nan 0.000 0.572 361 L N 1.548 122.729 121.223 -0.069 0.000 2.319 361 L HA 0.371 4.711 4.340 -0.000 0.000 0.280 361 L C -0.568 176.203 176.870 -0.164 0.000 1.099 361 L CA -0.200 54.558 54.840 -0.137 0.000 0.828 361 L CB -0.035 42.034 42.059 0.017 0.000 1.150 361 L HN -0.086 nan 8.230 nan 0.000 0.442 362 F N 3.095 123.039 119.950 -0.009 0.000 2.382 362 F HA 0.267 4.794 4.527 -0.000 0.000 0.331 362 F C 0.871 176.664 175.800 -0.011 0.000 1.121 362 F CA -0.661 57.335 58.000 -0.006 0.000 1.183 362 F CB 0.635 39.621 39.000 -0.023 0.000 1.207 362 F HN 0.514 nan 8.300 nan 0.000 0.555 363 D N 0.988 121.522 120.400 0.224 0.000 2.387 363 D HA 0.352 4.991 4.640 -0.000 0.000 0.251 363 D C -0.434 175.915 176.300 0.081 0.000 1.141 363 D CA -0.303 53.767 54.000 0.116 0.000 0.987 363 D CB 1.280 42.134 40.800 0.090 0.000 1.116 363 D HN 0.393 nan 8.370 nan 0.000 0.491 364 R N 0.308 120.833 120.500 0.041 0.000 2.810 364 R HA 0.220 4.559 4.340 -0.000 0.000 0.280 364 R C -1.503 174.795 176.300 -0.004 0.000 1.517 364 R CA -0.317 55.789 56.100 0.010 0.000 1.063 364 R CB 0.592 30.896 30.300 0.006 0.000 1.275 364 R HN 0.209 nan 8.270 nan 0.000 0.464 365 S N 4.967 120.657 115.700 -0.017 0.000 2.532 365 S HA 0.395 4.865 4.470 -0.000 0.000 0.318 365 S C 0.307 174.880 174.600 -0.044 0.000 1.083 365 S CA -0.513 57.672 58.200 -0.025 0.000 1.131 365 S CB 0.626 63.812 63.200 -0.023 0.000 0.973 365 S HN 0.496 nan 8.310 nan 0.000 0.468 366 I N 3.044 123.590 120.570 -0.039 0.000 2.227 366 I HA 0.093 4.262 4.170 -0.000 0.000 0.297 366 I C 0.181 176.270 176.117 -0.047 0.000 1.173 366 I CA -0.028 61.243 61.300 -0.047 0.000 1.356 366 I CB 0.001 37.979 38.000 -0.037 0.000 1.485 366 I HN 0.415 nan 8.210 nan 0.000 0.604 367 S N 4.972 120.636 115.700 -0.059 0.000 3.363 367 S HA 0.156 4.626 4.470 -0.000 0.000 0.267 367 S C 0.267 174.832 174.600 -0.059 0.000 1.288 367 S CA -0.555 57.608 58.200 -0.061 0.000 0.948 367 S CB -0.367 62.786 63.200 -0.077 0.000 1.397 367 S HN 0.465 nan 8.310 nan 0.000 0.493 368 E N 2.478 122.651 120.200 -0.045 0.000 2.292 368 E HA 0.115 4.465 4.350 -0.000 0.000 0.265 368 E C -0.424 176.160 176.600 -0.028 0.000 1.093 368 E CA 0.357 56.735 56.400 -0.036 0.000 0.922 368 E CB 0.320 30.003 29.700 -0.029 0.000 1.001 368 E HN 0.521 nan 8.360 nan 0.000 0.444 369 I N 3.643 124.202 120.570 -0.017 0.000 2.355 369 I HA 0.163 4.333 4.170 -0.000 0.000 0.288 369 I C -0.050 176.077 176.117 0.016 0.000 0.999 369 I CA -0.805 60.500 61.300 0.008 0.000 1.163 369 I CB 1.044 39.069 38.000 0.041 0.000 1.316 369 I HN 0.327 nan 8.210 nan 0.000 0.454 370 N N 7.713 126.420 118.700 0.012 0.000 2.419 370 N HA 0.443 5.183 4.740 -0.000 0.000 0.264 370 N C -0.767 174.750 175.510 0.013 0.000 1.031 370 N CA -0.291 52.763 53.050 0.006 0.000 0.951 370 N CB 1.913 40.399 38.487 -0.002 0.000 1.101 370 N HN 0.424 nan 8.380 nan 0.000 0.488 371 L N 1.677 122.904 121.223 0.007 0.000 2.309 371 L HA 0.325 4.664 4.340 -0.000 0.000 0.282 371 L C 0.541 177.407 176.870 -0.005 0.000 1.036 371 L CA -0.688 54.153 54.840 0.001 0.000 0.806 371 L CB 1.232 43.289 42.059 -0.002 0.000 1.220 371 L HN 0.322 nan 8.230 nan 0.000 0.429 372 T N 2.325 116.876 114.554 -0.004 0.000 2.817 372 T HA 0.097 4.447 4.350 -0.000 0.000 0.295 372 T C 0.399 175.096 174.700 -0.005 0.000 0.958 372 T CA -0.496 61.602 62.100 -0.004 0.000 1.157 372 T CB 0.473 69.340 68.868 -0.001 0.000 0.898 372 T HN 0.235 nan 8.240 nan 0.000 0.536 373 V N 4.463 124.372 119.914 -0.008 0.000 2.584 373 V HA -0.051 4.069 4.120 -0.000 0.000 0.303 373 V C 1.002 177.097 176.094 0.001 0.000 1.035 373 V CA -0.126 62.169 62.300 -0.008 0.000 1.172 373 V CB -0.092 31.723 31.823 -0.014 0.000 0.896 373 V HN 0.861 nan 8.190 nan 0.000 0.486 374 D N 3.737 124.143 120.400 0.011 0.000 2.400 374 D HA 0.077 4.717 4.640 -0.000 0.000 0.238 374 D C 0.920 177.235 176.300 0.024 0.000 1.157 374 D CA 0.240 54.258 54.000 0.030 0.000 0.889 374 D CB 0.861 41.694 40.800 0.056 0.000 1.199 374 D HN 0.700 nan 8.370 nan 0.000 0.436 375 E N 0.447 120.662 120.200 0.024 0.000 2.421 375 E HA 0.016 4.366 4.350 -0.000 0.000 0.209 375 E C 0.592 177.169 176.600 -0.039 0.000 0.871 375 E CA -0.079 56.317 56.400 -0.006 0.000 1.064 375 E CB 0.435 30.128 29.700 -0.013 0.000 1.075 375 E HN 0.423 nan 8.360 nan 0.000 0.513 376 D N -0.136 120.252 120.400 -0.019 0.000 2.234 376 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 376 D C -0.256 175.762 176.300 -0.469 0.000 0.962 376 D CA 1.165 55.048 54.000 -0.195 0.000 0.855 376 D CB 0.228 40.993 40.800 -0.058 0.000 0.951 376 D HN 0.114 nan 8.370 nan 0.000 0.500 377 Y N -0.541 119.747 120.300 -0.021 0.000 2.553 377 Y HA 0.358 4.907 4.550 -0.000 0.000 0.347 377 Y C 0.123 176.005 175.900 -0.030 0.000 1.019 377 Y CA -1.176 56.909 58.100 -0.026 0.000 1.032 377 Y CB 1.761 40.205 38.460 -0.026 0.000 1.284 377 Y HN -0.278 nan 8.280 nan 0.000 0.466 378 Q N 0.930 120.798 119.800 0.113 0.000 2.587 378 Q HA 0.803 5.143 4.340 -0.000 0.000 0.293 378 Q C -2.287 173.733 176.000 0.032 0.000 1.083 378 Q CA -1.265 54.566 55.803 0.046 0.000 0.792 378 Q CB 2.578 31.320 28.738 0.007 0.000 1.484 378 Q HN 0.544 nan 8.270 nan 0.000 0.446 379 L N 1.162 122.387 121.223 0.004 0.000 2.346 379 L HA 0.644 4.984 4.340 -0.000 0.000 0.274 379 L C -1.576 175.279 176.870 -0.026 0.000 1.007 379 L CA -0.721 54.111 54.840 -0.013 0.000 0.818 379 L CB 1.863 43.913 42.059 -0.014 0.000 1.284 379 L HN 0.738 nan 8.230 nan 0.000 0.424 380 L N 2.513 123.712 121.223 -0.040 0.000 2.409 380 L HA 0.541 4.881 4.340 -0.000 0.000 0.262 380 L C -0.344 176.486 176.870 -0.067 0.000 0.992 380 L CA -0.993 53.819 54.840 -0.048 0.000 0.817 380 L CB 2.085 44.124 42.059 -0.033 0.000 1.350 380 L HN 0.543 nan 8.230 nan 0.000 0.411 381 E N 0.443 120.581 120.200 -0.103 0.000 2.418 381 E HA 0.216 4.566 4.350 -0.000 0.000 0.261 381 E C -0.525 176.045 176.600 -0.050 0.000 1.070 381 E CA -0.276 56.038 56.400 -0.145 0.000 0.931 381 E CB 1.160 30.675 29.700 -0.309 0.000 0.954 381 E HN 0.490 nan 8.360 nan 0.000 0.439 382 C N 2.733 122.026 119.300 -0.011 0.000 3.127 382 C HA 0.020 4.480 4.460 -0.000 0.000 0.378 382 C C -0.847 174.190 174.990 0.078 0.000 0.961 382 C CA -0.515 58.541 59.018 0.063 0.000 1.266 382 C CB -0.435 27.374 27.740 0.115 0.000 1.594 382 C HN 0.739 nan 8.230 nan 0.000 0.571 383 E N 2.334 122.575 120.200 0.070 0.000 2.311 383 E HA 0.003 4.353 4.350 -0.000 0.000 0.247 383 E C 0.342 176.973 176.600 0.051 0.000 1.215 383 E CA 0.378 56.818 56.400 0.066 0.000 0.957 383 E CB 0.337 30.079 29.700 0.071 0.000 1.020 383 E HN 0.630 nan 8.360 nan 0.000 0.461 384 C N 6.633 125.957 119.300 0.041 0.000 2.288 384 C HA 0.320 4.780 4.460 -0.000 0.000 0.328 384 C C -2.498 172.484 174.990 -0.014 0.000 1.071 384 C CA -2.335 56.688 59.018 0.009 0.000 1.594 384 C CB -0.808 26.936 27.740 0.006 0.000 1.700 384 C HN 0.413 nan 8.230 nan 0.000 0.436 385 P HA 0.205 nan 4.420 nan 0.000 0.268 385 P C 0.781 178.043 177.300 -0.063 0.000 1.541 385 P CA 0.101 63.183 63.100 -0.029 0.000 1.093 385 P CB -0.098 31.594 31.700 -0.013 0.000 1.551 386 I N -1.892 118.613 120.570 -0.108 0.000 3.603 386 I HA 0.135 4.305 4.170 -0.000 0.000 0.297 386 I C -0.197 175.836 176.117 -0.139 0.000 1.269 386 I CA -0.210 60.988 61.300 -0.170 0.000 1.361 386 I CB -0.642 37.152 38.000 -0.342 0.000 1.063 386 I HN 0.029 nan 8.210 nan 0.000 0.448 387 N N 3.950 122.595 118.700 -0.093 0.000 2.686 387 N HA -0.214 4.525 4.740 -0.000 0.000 0.261 387 N C -0.495 174.980 175.510 -0.058 0.000 1.001 387 N CA 1.303 54.319 53.050 -0.057 0.000 0.764 387 N CB -0.866 37.600 38.487 -0.035 0.000 0.898 387 N HN 0.818 nan 8.380 nan 0.000 0.544 388 R N -1.677 118.777 120.500 -0.077 0.000 2.690 388 R HA 0.541 4.881 4.340 -0.000 0.000 0.269 388 R C -1.229 175.071 176.300 -0.001 0.000 1.037 388 R CA -1.189 54.891 56.100 -0.033 0.000 0.877 388 R CB 1.690 31.965 30.300 -0.043 0.000 1.255 388 R HN 0.172 nan 8.270 nan 0.000 0.467 389 K N 0.770 121.220 120.400 0.083 0.000 2.469 389 K HA 0.526 4.846 4.320 -0.000 0.000 0.254 389 K C -0.954 175.760 176.600 0.190 0.000 0.939 389 K CA -0.902 55.416 56.287 0.051 0.000 0.812 389 K CB 1.548 34.058 32.500 0.016 0.000 1.301 389 K HN 0.571 nan 8.250 nan 0.000 0.433 390 F N -0.290 119.704 119.950 0.074 0.000 2.999 390 F HA -0.224 4.303 4.527 -0.000 0.000 0.291 390 F C 0.633 176.353 175.800 -0.134 0.000 0.824 390 F CA 0.631 58.605 58.000 -0.044 0.000 1.255 390 F CB -1.483 37.491 39.000 -0.042 0.000 1.333 390 F HN 0.940 nan 8.300 nan 0.000 0.502 391 G N -0.720 108.094 108.800 0.024 0.000 2.606 391 G HA2 0.550 4.510 3.960 -0.000 0.000 0.262 391 G HA3 0.550 4.510 3.960 -0.000 0.000 0.262 391 G C -1.211 173.310 174.900 -0.631 0.000 1.394 391 G CA 0.181 45.098 45.100 -0.305 0.000 1.044 391 G HN 0.116 nan 8.290 nan 0.000 0.553 392 D N -2.504 117.475 120.400 -0.702 0.000 2.596 392 D HA 0.569 5.209 4.640 -0.000 0.000 0.234 392 D C -1.258 174.826 176.300 -0.360 0.000 1.181 392 D CA -0.295 53.444 54.000 -0.435 0.000 0.856 392 D CB 2.401 43.117 40.800 -0.140 0.000 1.498 392 D HN 0.355 nan 8.370 nan 0.000 0.446 393 V N 1.457 121.318 119.914 -0.089 0.000 2.925 393 V HA 0.728 4.847 4.120 -0.000 0.000 0.311 393 V C -1.790 174.410 176.094 0.176 0.000 1.104 393 V CA -0.351 62.018 62.300 0.116 0.000 0.954 393 V CB 2.154 34.077 31.823 0.168 0.000 1.022 393 V HN 0.639 nan 8.190 nan 0.000 0.427 394 D N 2.070 122.608 120.400 0.230 0.000 2.623 394 D HA 0.485 5.125 4.640 -0.000 0.000 0.241 394 D C -1.230 175.179 176.300 0.182 0.000 1.241 394 D CA -0.018 54.064 54.000 0.137 0.000 0.788 394 D CB 2.595 43.411 40.800 0.027 0.000 1.413 394 D HN 0.720 nan 8.370 nan 0.000 0.429 395 V N -0.348 119.645 119.914 0.132 0.000 2.427 395 V HA 0.930 5.050 4.120 -0.000 0.000 0.286 395 V C -0.183 175.990 176.094 0.132 0.000 1.034 395 V CA -0.756 61.631 62.300 0.145 0.000 0.893 395 V CB 1.052 32.934 31.823 0.097 0.000 0.982 395 V HN 0.662 nan 8.190 nan 0.000 0.452 396 A N 4.081 127.015 122.820 0.190 0.000 2.431 396 A HA 0.864 5.183 4.320 -0.000 0.000 0.318 396 A C 0.929 178.590 177.584 0.128 0.000 1.330 396 A CA 0.269 52.385 52.037 0.131 0.000 0.804 396 A CB 0.119 19.186 19.000 0.112 0.000 1.135 396 A HN 2.582 nan 8.150 nan 0.000 0.483 397 G N 2.171 111.021 108.800 0.083 0.000 2.652 397 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.278 397 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.278 397 G C 0.919 175.860 174.900 0.068 0.000 1.263 397 G CA 0.514 45.656 45.100 0.070 0.000 0.966 397 G HN 0.662 nan 8.290 nan 0.000 0.544 398 N N 2.179 120.918 118.700 0.066 0.000 2.250 398 N HA 0.142 4.881 4.740 -0.000 0.000 0.190 398 N C -0.395 175.131 175.510 0.027 0.000 1.116 398 N CA 0.916 53.994 53.050 0.046 0.000 0.881 398 N CB 0.394 38.904 38.487 0.040 0.000 1.006 398 N HN 0.685 nan 8.380 nan 0.000 0.491 399 D N 0.106 120.537 120.400 0.051 0.000 2.294 399 D HA 0.357 4.996 4.640 -0.000 0.000 0.250 399 D C -0.230 176.037 176.300 -0.056 0.000 1.058 399 D CA -0.398 53.581 54.000 -0.034 0.000 0.950 399 D CB 1.749 42.552 40.800 0.005 0.000 1.158 399 D HN -0.293 nan 8.370 nan 0.000 0.453 400 V N 0.544 120.254 119.914 -0.340 0.000 2.709 400 V HA 0.504 4.623 4.120 -0.000 0.000 0.308 400 V C -1.189 174.636 176.094 -0.448 0.000 1.062 400 V CA -0.835 61.347 62.300 -0.196 0.000 0.901 400 V CB 1.217 32.976 31.823 -0.106 0.000 1.003 400 V HN 0.452 nan 8.190 nan 0.000 0.425 401 F N 3.369 123.407 119.950 0.148 0.000 2.536 401 F HA 0.536 5.063 4.527 -0.000 0.000 0.322 401 F C -0.590 175.382 175.800 0.286 0.000 1.144 401 F CA -0.608 57.521 58.000 0.214 0.000 0.924 401 F CB 1.530 40.693 39.000 0.271 0.000 1.181 401 F HN 0.451 nan 8.300 nan 0.000 0.438 402 Y N 4.799 125.233 120.300 0.222 0.000 2.361 402 Y HA 0.679 5.229 4.550 -0.000 0.000 0.332 402 Y C -0.498 175.408 175.900 0.010 0.000 1.101 402 Y CA -0.803 57.376 58.100 0.131 0.000 1.137 402 Y CB 1.241 39.734 38.460 0.056 0.000 1.207 402 Y HN 0.541 nan 8.280 nan 0.000 0.463 403 M N 5.421 124.871 119.600 -0.249 0.000 2.386 403 M HA 0.481 4.961 4.480 -0.000 0.000 0.293 403 M C -0.005 176.229 176.300 -0.110 0.000 1.120 403 M CA 0.293 55.395 55.300 -0.330 0.000 0.909 403 M CB 1.273 33.208 32.600 -1.108 0.000 1.661 403 M HN 0.920 nan 8.290 nan 0.000 0.452 404 G N 3.217 111.990 108.800 -0.043 0.000 2.575 404 G HA2 0.182 4.142 3.960 -0.000 0.000 0.267 404 G HA3 0.182 4.142 3.960 -0.000 0.000 0.267 404 G C 0.248 175.300 174.900 0.254 0.000 1.264 404 G CA 0.174 45.306 45.100 0.053 0.000 0.935 404 G HN 2.203 nan 8.290 nan 0.000 0.568 405 G N -2.577 106.394 108.800 0.284 0.000 2.631 405 G HA2 0.475 4.435 3.960 -0.000 0.000 0.504 405 G HA3 0.475 4.435 3.960 -0.000 0.000 0.504 405 G C 0.099 175.097 174.900 0.164 0.000 1.306 405 G CA 0.876 46.125 45.100 0.248 0.000 0.897 405 G HN 2.870 nan 8.290 nan 0.000 0.520 406 S N -1.190 114.601 115.700 0.152 0.000 2.600 406 S HA 0.807 5.277 4.470 -0.000 0.000 0.300 406 S C 0.054 174.692 174.600 0.064 0.000 1.087 406 S CA 0.205 58.459 58.200 0.090 0.000 0.965 406 S CB 1.851 65.084 63.200 0.055 0.000 1.089 406 S HN 2.079 nan 8.310 nan 0.000 0.496 407 N N -0.140 118.577 118.700 0.029 0.000 2.570 407 N HA 0.224 4.964 4.740 -0.000 0.000 0.261 407 N C -2.224 173.276 175.510 -0.018 0.000 1.540 407 N CA -0.983 52.071 53.050 0.008 0.000 0.959 407 N CB 0.691 39.191 38.487 0.022 0.000 1.449 407 N HN 0.522 nan 8.380 nan 0.000 0.519 408 P HA 0.099 nan 4.420 nan 0.000 0.261 408 P C -0.662 176.466 177.300 -0.287 0.000 1.268 408 P CA 0.155 63.119 63.100 -0.226 0.000 0.833 408 P CB 0.057 31.545 31.700 -0.353 0.000 1.231 409 Y N 0.855 121.155 120.300 0.000 0.000 2.310 409 Y HA 0.314 4.864 4.550 -0.000 0.000 0.326 409 Y C 1.447 177.341 175.900 -0.010 0.000 1.151 409 Y CA -0.900 57.193 58.100 -0.012 0.000 1.195 409 Y CB 0.967 39.415 38.460 -0.019 0.000 1.210 409 Y HN -0.327 nan 8.280 nan 0.000 0.483 410 R N 1.963 122.549 120.500 0.143 0.000 2.537 410 R HA 0.334 4.674 4.340 -0.000 0.000 0.280 410 R C -0.479 175.842 176.300 0.035 0.000 1.058 410 R CA -0.246 55.891 56.100 0.062 0.000 1.057 410 R CB 0.418 30.727 30.300 0.015 0.000 0.973 410 R HN 0.569 nan 8.270 nan 0.000 0.438 411 V N -0.110 119.813 119.914 0.015 0.000 3.141 411 V HA 0.488 4.607 4.120 -0.000 0.000 0.312 411 V C -0.445 175.596 176.094 -0.088 0.000 1.157 411 V CA -0.973 61.314 62.300 -0.022 0.000 1.041 411 V CB 2.371 34.201 31.823 0.012 0.000 1.071 411 V HN 0.922 nan 8.190 nan 0.000 0.441 412 N N -1.297 117.322 118.700 -0.134 0.000 2.377 412 N HA 0.237 4.977 4.740 -0.000 0.000 0.259 412 N C -0.329 175.082 175.510 -0.164 0.000 1.332 412 N CA -0.470 52.436 53.050 -0.239 0.000 0.877 412 N CB -0.015 38.248 38.487 -0.373 0.000 1.299 412 N HN 0.845 nan 8.380 nan 0.000 0.501 413 E N 0.750 120.906 120.200 -0.072 0.000 2.338 413 E HA 0.280 4.629 4.350 -0.000 0.000 0.272 413 E C -0.219 176.372 176.600 -0.014 0.000 1.029 413 E CA -0.269 56.119 56.400 -0.019 0.000 0.872 413 E CB 1.570 31.276 29.700 0.009 0.000 1.015 413 E HN 0.294 nan 8.360 nan 0.000 0.417 414 I N 3.833 124.396 120.570 -0.012 0.000 2.353 414 I HA 0.229 4.399 4.170 -0.000 0.000 0.293 414 I C -0.346 175.815 176.117 0.074 0.000 0.992 414 I CA -0.477 60.812 61.300 -0.019 0.000 1.268 414 I CB 0.568 38.452 38.000 -0.194 0.000 1.387 414 I HN 0.251 nan 8.210 nan 0.000 0.478 415 L N 5.959 127.261 121.223 0.132 0.000 2.346 415 L HA 0.460 4.800 4.340 -0.000 0.000 0.276 415 L C -0.299 176.602 176.870 0.052 0.000 1.006 415 L CA -0.655 54.238 54.840 0.090 0.000 0.817 415 L CB 1.783 43.879 42.059 0.062 0.000 1.272 415 L HN 0.582 nan 8.230 nan 0.000 0.421 416 Q N 3.551 123.321 119.800 -0.050 0.000 2.322 416 Q HA 0.451 4.791 4.340 -0.000 0.000 0.256 416 Q C -1.355 174.516 176.000 -0.215 0.000 0.960 416 Q CA -0.403 55.230 55.803 -0.283 0.000 0.934 416 Q CB 0.977 29.558 28.738 -0.261 0.000 1.200 416 Q HN 0.564 nan 8.270 nan 0.000 0.435 417 L N 3.583 124.659 121.223 -0.245 0.000 2.255 417 L HA 0.379 4.718 4.340 -0.000 0.000 0.289 417 L C -0.466 176.271 176.870 -0.222 0.000 1.046 417 L CA -0.573 54.159 54.840 -0.180 0.000 0.816 417 L CB 1.423 43.410 42.059 -0.119 0.000 1.197 417 L HN 0.623 nan 8.230 nan 0.000 0.427 418 S N 4.858 120.423 115.700 -0.226 0.000 2.422 418 S HA 0.485 4.955 4.470 -0.000 0.000 0.298 418 S C 0.024 174.331 174.600 -0.489 0.000 1.118 418 S CA -0.503 57.520 58.200 -0.296 0.000 1.083 418 S CB 1.024 64.086 63.200 -0.230 0.000 0.971 418 S HN 0.378 nan 8.310 nan 0.000 0.478 419 I N 3.841 124.158 120.570 -0.421 0.000 2.371 419 I HA 0.301 4.470 4.170 -0.000 0.000 0.290 419 I C 0.135 176.006 176.117 -0.409 0.000 1.028 419 I CA -0.262 60.794 61.300 -0.407 0.000 1.345 419 I CB 0.613 38.443 38.000 -0.282 0.000 1.407 419 I HN 0.715 nan 8.210 nan 0.000 0.501 420 H N 4.559 123.643 119.070 0.023 0.000 2.812 420 H HA 0.306 4.862 4.556 -0.000 0.000 0.355 420 H C -0.228 175.256 175.328 0.261 0.000 1.207 420 H CA -0.743 55.354 56.048 0.082 0.000 1.217 420 H CB 0.986 30.700 29.762 -0.080 0.000 1.874 420 H HN 0.366 nan 8.280 nan 0.000 0.581 421 Y N 0.470 120.886 120.300 0.194 0.000 2.220 421 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 421 Y C 2.001 177.980 175.900 0.132 0.000 1.129 421 Y CA 0.870 59.057 58.100 0.144 0.000 1.161 421 Y CB -0.743 37.775 38.460 0.097 0.000 0.997 421 Y HN 0.687 nan 8.280 nan 0.000 0.522 422 D N 0.979 121.501 120.400 0.203 0.000 2.162 422 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 422 D C 0.563 176.939 176.300 0.126 0.000 0.964 422 D CA 0.868 54.942 54.000 0.124 0.000 0.847 422 D CB 0.119 40.943 40.800 0.040 0.000 0.988 422 D HN 0.503 nan 8.370 nan 0.000 0.480 423 K N -0.842 119.647 120.400 0.148 0.000 2.305 423 K HA 0.663 4.982 4.320 -0.000 0.000 0.268 423 K C -1.350 175.309 176.600 0.100 0.000 1.034 423 K CA -0.940 55.420 56.287 0.122 0.000 0.879 423 K CB 1.572 34.131 32.500 0.099 0.000 1.506 423 K HN -0.104 nan 8.250 nan 0.000 0.425 424 I N 1.580 122.172 120.570 0.036 0.000 2.468 424 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 424 I C -1.224 174.863 176.117 -0.050 0.000 1.039 424 I CA -0.836 60.422 61.300 -0.071 0.000 1.074 424 I CB 1.906 39.837 38.000 -0.115 0.000 1.228 424 I HN 0.542 nan 8.210 nan 0.000 0.436 425 D N 7.701 128.052 120.400 -0.081 0.000 2.339 425 D HA 0.482 5.122 4.640 -0.000 0.000 0.245 425 D C -0.242 176.016 176.300 -0.070 0.000 1.115 425 D CA 0.223 54.208 54.000 -0.026 0.000 0.917 425 D CB 1.297 42.123 40.800 0.043 0.000 1.192 425 D HN 0.444 nan 8.370 nan 0.000 0.428 426 M N -0.213 119.361 119.600 -0.043 0.000 2.322 426 M HA 0.472 4.951 4.480 -0.000 0.000 0.286 426 M C -1.797 174.487 176.300 -0.028 0.000 1.111 426 M CA -0.878 54.391 55.300 -0.052 0.000 0.941 426 M CB 2.651 35.216 32.600 -0.058 0.000 1.671 426 M HN 0.142 nan 8.290 nan 0.000 0.470 427 K N 2.005 122.390 120.400 -0.025 0.000 2.443 427 K HA 0.482 4.802 4.320 -0.000 0.000 0.252 427 K C -1.197 175.412 176.600 0.014 0.000 0.933 427 K CA -0.757 55.529 56.287 -0.002 0.000 0.792 427 K CB 2.059 34.562 32.500 0.005 0.000 1.185 427 K HN 0.788 nan 8.250 nan 0.000 0.425 428 N N 2.335 121.049 118.700 0.024 0.000 2.344 428 N HA 0.055 4.795 4.740 -0.000 0.000 0.236 428 N C -0.618 174.932 175.510 0.066 0.000 1.279 428 N CA 0.443 53.517 53.050 0.041 0.000 0.882 428 N CB 0.457 38.966 38.487 0.036 0.000 1.110 428 N HN 0.494 nan 8.380 nan 0.000 0.436 429 I N 1.983 122.605 120.570 0.087 0.000 2.439 429 I HA 0.150 4.319 4.170 -0.000 0.000 0.283 429 I C -0.151 176.043 176.117 0.129 0.000 1.023 429 I CA -0.464 60.912 61.300 0.128 0.000 1.100 429 I CB 1.616 39.728 38.000 0.187 0.000 1.238 429 I HN 0.365 nan 8.210 nan 0.000 0.445 430 E N 4.809 125.084 120.200 0.125 0.000 2.392 430 E HA 0.204 4.554 4.350 -0.000 0.000 0.264 430 E C -0.434 176.274 176.600 0.180 0.000 1.024 430 E CA -0.285 56.191 56.400 0.126 0.000 0.903 430 E CB 1.580 31.336 29.700 0.094 0.000 0.963 430 E HN 0.433 nan 8.360 nan 0.000 0.432 431 V N 0.536 120.571 119.914 0.202 0.000 2.472 431 V HA 0.206 4.326 4.120 -0.000 0.000 0.290 431 V C 0.698 176.899 176.094 0.177 0.000 1.037 431 V CA -0.404 62.058 62.300 0.269 0.000 0.908 431 V CB 1.855 33.929 31.823 0.419 0.000 0.985 431 V HN 0.641 nan 8.190 nan 0.000 0.454 432 S N 2.925 118.702 115.700 0.128 0.000 2.371 432 S HA -0.042 4.427 4.470 -0.000 0.000 0.224 432 S C 1.170 175.829 174.600 0.098 0.000 1.029 432 S CA 1.100 59.348 58.200 0.080 0.000 0.978 432 S CB -0.288 62.929 63.200 0.027 0.000 0.833 432 S HN 1.114 nan 8.310 nan 0.000 0.466 433 S N 2.017 117.798 115.700 0.135 0.000 2.573 433 S HA 0.161 4.631 4.470 -0.000 0.000 0.277 433 S C 1.260 175.953 174.600 0.156 0.000 1.346 433 S CA -0.043 58.253 58.200 0.160 0.000 1.034 433 S CB 1.080 64.425 63.200 0.241 0.000 0.879 433 S HN 0.456 nan 8.310 nan 0.000 0.528 434 S N 0.183 115.958 115.700 0.126 0.000 2.421 434 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 434 S C 0.395 175.054 174.600 0.099 0.000 1.035 434 S CA -0.107 58.151 58.200 0.096 0.000 0.953 434 S CB -0.470 62.773 63.200 0.072 0.000 0.810 434 S HN 0.794 nan 8.310 nan 0.000 0.497 435 E N 1.923 122.211 120.200 0.147 0.000 2.259 435 E HA 0.412 4.761 4.350 -0.000 0.000 0.281 435 E C -0.604 176.084 176.600 0.147 0.000 1.037 435 E CA -0.386 56.120 56.400 0.176 0.000 0.854 435 E CB 1.470 31.337 29.700 0.278 0.000 1.051 435 E HN 0.446 nan 8.360 nan 0.000 0.409 436 V N 1.403 121.240 119.914 -0.128 0.000 3.102 436 V HA 0.668 4.787 4.120 -0.000 0.000 0.312 436 V C -2.633 172.745 176.094 -1.193 0.000 1.135 436 V CA -2.452 59.477 62.300 -0.619 0.000 1.022 436 V CB 1.756 33.299 31.823 -0.467 0.000 1.056 436 V HN 0.502 nan 8.190 nan 0.000 0.436 437 P HA 0.257 nan 4.420 nan 0.000 0.276 437 P C 0.051 176.809 177.300 -0.904 0.000 1.230 437 P CA 0.070 62.088 63.100 -1.804 0.000 0.776 437 P CB 1.354 31.721 31.700 -2.221 0.000 0.888 438 V N 0.721 120.321 119.914 -0.524 0.000 2.872 438 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 438 V C 0.581 176.473 176.094 -0.337 0.000 1.072 438 V CA -0.750 61.350 62.300 -0.332 0.000 1.148 438 V CB -0.684 31.026 31.823 -0.188 0.000 0.954 438 V HN 0.739 nan 8.190 nan 0.000 0.490 439 A N 5.677 128.345 122.820 -0.254 0.000 2.561 439 A HA 0.538 4.857 4.320 -0.000 0.000 0.234 439 A C 0.595 178.081 177.584 -0.165 0.000 1.055 439 A CA 0.499 52.413 52.037 -0.206 0.000 0.756 439 A CB -0.108 18.815 19.000 -0.128 0.000 0.986 439 A HN 1.453 nan 8.150 nan 0.000 0.505 440 R N 1.131 121.549 120.500 -0.138 0.000 2.712 440 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 440 R C -1.021 175.332 176.300 0.088 0.000 1.032 440 R CA -0.738 55.324 56.100 -0.064 0.000 0.874 440 R CB 0.995 31.234 30.300 -0.101 0.000 1.256 440 R HN 0.983 nan 8.270 nan 0.000 0.468 441 M N -0.981 118.688 119.600 0.115 0.000 2.667 441 M HA 0.570 5.050 4.480 -0.000 0.000 0.286 441 M C -0.619 175.728 176.300 0.079 0.000 1.270 441 M CA -0.690 54.701 55.300 0.152 0.000 0.826 441 M CB 2.110 34.745 32.600 0.058 0.000 1.743 441 M HN 0.799 nan 8.290 nan 0.000 0.460 442 C N 1.043 120.333 119.300 -0.017 0.000 4.456 442 C HA -0.127 4.333 4.460 -0.000 0.000 0.288 442 C C 0.492 175.466 174.990 -0.026 0.000 1.374 442 C CA 1.094 60.103 59.018 -0.016 0.000 1.956 442 C CB -3.698 24.082 27.740 0.067 0.000 1.255 442 C HN 1.062 nan 8.230 nan 0.000 0.788 443 H N 0.129 119.197 119.070 -0.003 0.000 2.530 443 H HA 0.749 5.304 4.556 -0.000 0.000 0.342 443 H C 0.239 175.528 175.328 -0.065 0.000 1.312 443 H CA 0.377 56.436 56.048 0.018 0.000 1.376 443 H CB 1.025 30.829 29.762 0.069 0.000 1.692 443 H HN 0.468 nan 8.280 nan 0.000 0.622 444 T N -2.054 112.622 114.554 0.203 0.000 2.924 444 T HA 0.532 4.882 4.350 -0.000 0.000 0.291 444 T C -1.082 173.890 174.700 0.453 0.000 1.045 444 T CA -0.845 61.368 62.100 0.190 0.000 1.015 444 T CB 1.693 70.655 68.868 0.157 0.000 1.103 444 T HN 0.471 nan 8.240 nan 0.000 0.496 445 F N 1.285 121.321 119.950 0.143 0.000 2.831 445 F HA 0.550 5.077 4.527 -0.000 0.000 0.346 445 F C -1.008 174.849 175.800 0.095 0.000 1.224 445 F CA -0.396 57.695 58.000 0.151 0.000 1.048 445 F CB 1.606 40.694 39.000 0.147 0.000 1.339 445 F HN 0.867 nan 8.300 nan 0.000 0.514 446 T N 3.187 117.634 114.554 -0.179 0.000 2.886 446 T HA 0.417 4.767 4.350 -0.000 0.000 0.292 446 T C -0.282 174.284 174.700 -0.222 0.000 1.012 446 T CA -0.722 61.296 62.100 -0.136 0.000 0.982 446 T CB 1.675 70.537 68.868 -0.010 0.000 1.018 446 T HN 0.430 nan 8.240 nan 0.000 0.451 447 T N 4.077 118.536 114.554 -0.158 0.000 2.926 447 T HA 0.532 4.882 4.350 -0.000 0.000 0.307 447 T C 0.529 175.181 174.700 -0.079 0.000 1.059 447 T CA -0.246 61.776 62.100 -0.130 0.000 1.122 447 T CB -0.175 68.658 68.868 -0.059 0.000 0.972 447 T HN 0.650 nan 8.240 nan 0.000 0.545 448 I N -2.344 118.182 120.570 -0.073 0.000 3.464 448 I HA 0.577 4.747 4.170 -0.000 0.000 0.317 448 I C -0.396 175.698 176.117 -0.038 0.000 1.229 448 I CA -1.477 59.800 61.300 -0.038 0.000 0.926 448 I CB 1.257 39.249 38.000 -0.014 0.000 1.341 448 I HN 0.554 nan 8.210 nan 0.000 0.479 449 S N 1.202 116.886 115.700 -0.025 0.000 3.550 449 S HA -0.174 4.295 4.470 -0.000 0.000 0.372 449 S C 0.327 174.910 174.600 -0.028 0.000 0.966 449 S CA 1.139 59.322 58.200 -0.028 0.000 1.229 449 S CB -1.368 61.810 63.200 -0.036 0.000 0.917 449 S HN 0.783 nan 8.310 nan 0.000 0.496 450 R N 0.592 121.080 120.500 -0.019 0.000 3.127 450 R HA -0.244 4.095 4.340 -0.000 0.000 0.247 450 R C 0.277 176.570 176.300 -0.011 0.000 0.896 450 R CA 0.669 56.762 56.100 -0.011 0.000 0.624 450 R CB -2.153 28.141 30.300 -0.010 0.000 1.154 450 R HN 0.784 nan 8.270 nan 0.000 0.474 451 N N -1.087 117.605 118.700 -0.013 0.000 2.708 451 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 451 N C 0.012 175.509 175.510 -0.021 0.000 1.123 451 N CA 1.074 54.120 53.050 -0.007 0.000 0.739 451 N CB -0.510 37.987 38.487 0.016 0.000 1.113 451 N HN 0.574 nan 8.380 nan 0.000 0.561 452 N N 0.245 118.917 118.700 -0.046 0.000 2.273 452 N HA 0.104 4.844 4.740 -0.000 0.000 0.192 452 N C 0.015 175.456 175.510 -0.115 0.000 1.132 452 N CA 0.522 53.532 53.050 -0.067 0.000 0.887 452 N CB 0.809 39.261 38.487 -0.057 0.000 1.048 452 N HN 0.449 nan 8.380 nan 0.000 0.490 453 Q N -0.031 119.698 119.800 -0.118 0.000 2.495 453 Q HA 0.576 4.915 4.340 -0.000 0.000 0.287 453 Q C -1.257 174.635 176.000 -0.181 0.000 1.078 453 Q CA -0.615 55.099 55.803 -0.148 0.000 0.793 453 Q CB 2.864 31.538 28.738 -0.106 0.000 1.459 453 Q HN -0.029 nan 8.270 nan 0.000 0.422 454 L N 1.547 122.642 121.223 -0.214 0.000 2.386 454 L HA 0.550 4.890 4.340 -0.000 0.000 0.271 454 L C -1.327 175.426 176.870 -0.195 0.000 0.993 454 L CA -0.878 53.715 54.840 -0.411 0.000 0.819 454 L CB 1.780 43.305 42.059 -0.889 0.000 1.294 454 L HN 0.377 nan 8.230 nan 0.000 0.414 455 L N 4.175 125.296 121.223 -0.170 0.000 2.276 455 L HA 0.528 4.868 4.340 -0.000 0.000 0.286 455 L C -0.915 176.103 176.870 0.248 0.000 1.024 455 L CA -0.359 54.517 54.840 0.060 0.000 0.826 455 L CB 1.372 43.428 42.059 -0.004 0.000 1.211 455 L HN 0.497 nan 8.230 nan 0.000 0.422 456 L N 6.563 128.074 121.223 0.480 0.000 2.276 456 L HA 0.598 4.938 4.340 -0.000 0.000 0.286 456 L C -1.002 176.090 176.870 0.371 0.000 1.061 456 L CA 0.201 55.367 54.840 0.542 0.000 0.807 456 L CB 0.718 43.111 42.059 0.556 0.000 1.177 456 L HN 0.464 nan 8.230 nan 0.000 0.429 457 I N 5.858 126.647 120.570 0.365 0.000 2.466 457 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 457 I C 1.036 177.362 176.117 0.347 0.000 1.026 457 I CA 0.050 61.528 61.300 0.296 0.000 1.078 457 I CB 0.812 38.965 38.000 0.256 0.000 1.249 457 I HN 0.876 nan 8.210 nan 0.000 0.429 458 G N 5.245 114.174 108.800 0.214 0.000 2.652 458 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.318 458 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.318 458 G C 0.479 175.565 174.900 0.309 0.000 1.295 458 G CA 0.706 45.945 45.100 0.232 0.000 0.999 458 G HN 1.826 nan 8.290 nan 0.000 0.548 459 G N -1.540 107.504 108.800 0.408 0.000 2.610 459 G HA2 0.461 4.420 3.960 -0.000 0.000 0.304 459 G HA3 0.461 4.420 3.960 -0.000 0.000 0.304 459 G C -0.232 174.775 174.900 0.178 0.000 1.309 459 G CA 0.997 46.282 45.100 0.309 0.000 0.906 459 G HN 2.494 nan 8.290 nan 0.000 0.521 460 R N -1.068 119.425 120.500 -0.012 0.000 2.764 460 R HA 0.797 5.137 4.340 -0.000 0.000 0.270 460 R C 0.354 176.540 176.300 -0.189 0.000 1.014 460 R CA -0.902 55.071 56.100 -0.211 0.000 0.904 460 R CB 1.403 31.255 30.300 -0.746 0.000 1.236 460 R HN 0.604 nan 8.270 nan 0.000 0.466 461 K N 0.765 121.046 120.400 -0.197 0.000 3.590 461 K HA 0.427 4.746 4.320 -0.000 0.000 0.170 461 K C 0.561 177.052 176.600 -0.181 0.000 1.138 461 K CA -0.027 56.165 56.287 -0.159 0.000 1.560 461 K CB -0.124 32.295 32.500 -0.134 0.000 2.149 461 K HN 0.590 nan 8.250 nan 0.000 0.487 462 A N 1.909 124.645 122.820 -0.140 0.000 2.406 462 A HA 0.120 4.440 4.320 -0.000 0.000 0.243 462 A C -1.963 175.559 177.584 -0.103 0.000 1.082 462 A CA -0.837 51.164 52.037 -0.059 0.000 0.786 462 A CB -0.398 18.683 19.000 0.135 0.000 1.029 462 A HN 0.213 nan 8.150 nan 0.000 0.495 463 P HA -0.148 nan 4.420 nan 0.000 0.221 463 P C 0.540 177.878 177.300 0.063 0.000 1.145 463 P CA 1.718 64.739 63.100 -0.133 0.000 0.795 463 P CB -0.070 31.601 31.700 -0.049 0.000 0.775 464 H N -2.227 116.797 119.070 -0.077 0.000 2.505 464 H HA 0.319 4.875 4.556 -0.000 0.000 0.289 464 H C -0.049 175.271 175.328 -0.014 0.000 1.052 464 H CA -0.147 55.896 56.048 -0.007 0.000 1.156 464 H CB -0.679 29.077 29.762 -0.009 0.000 1.507 464 H HN 0.172 nan 8.280 nan 0.000 0.548 465 Q N 1.115 120.787 119.800 -0.213 0.000 2.943 465 Q HA 0.361 4.701 4.340 -0.000 0.000 0.327 465 Q C 0.130 176.059 176.000 -0.119 0.000 0.937 465 Q CA -0.537 55.132 55.803 -0.223 0.000 0.914 465 Q CB 1.527 30.073 28.738 -0.320 0.000 1.339 465 Q HN 0.509 nan 8.270 nan 0.000 0.417 466 G N 1.147 109.965 108.800 0.030 0.000 2.441 466 G HA2 0.343 4.303 3.960 -0.000 0.000 0.243 466 G HA3 0.343 4.303 3.960 -0.000 0.000 0.243 466 G C -0.284 174.672 174.900 0.092 0.000 1.281 466 G CA -0.234 44.973 45.100 0.179 0.000 0.854 466 G HN 0.340 nan 8.290 nan 0.000 0.560 467 L N 1.218 122.505 121.223 0.107 0.000 2.344 467 L HA 0.435 4.775 4.340 -0.000 0.000 0.272 467 L C 1.212 178.127 176.870 0.076 0.000 1.035 467 L CA -0.642 54.240 54.840 0.069 0.000 0.807 467 L CB 2.171 44.264 42.059 0.058 0.000 1.237 467 L HN 0.690 nan 8.230 nan 0.000 0.442 468 S N -2.122 113.605 115.700 0.045 0.000 2.604 468 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 468 S C 0.140 174.749 174.600 0.015 0.000 1.043 468 S CA -0.574 57.630 58.200 0.008 0.000 0.997 468 S CB -0.062 63.124 63.200 -0.022 0.000 0.956 468 S HN 0.724 nan 8.310 nan 0.000 0.535 469 D N 2.638 123.078 120.400 0.065 0.000 2.351 469 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 469 D C -0.635 175.769 176.300 0.174 0.000 1.137 469 D CA -0.161 53.892 54.000 0.088 0.000 0.879 469 D CB 0.426 41.334 40.800 0.180 0.000 1.181 469 D HN 0.137 nan 8.370 nan 0.000 0.448 470 N N 1.912 120.647 118.700 0.058 0.000 2.404 470 N HA 0.498 5.238 4.740 -0.000 0.000 0.297 470 N C -0.854 174.665 175.510 0.016 0.000 1.163 470 N CA -0.424 52.725 53.050 0.166 0.000 0.864 470 N CB 1.432 39.991 38.487 0.121 0.000 1.247 470 N HN 0.502 nan 8.380 nan 0.000 0.510 471 W N 0.154 121.541 121.300 0.145 0.000 3.118 471 W HA 0.590 5.250 4.660 -0.000 0.000 0.328 471 W C -0.605 176.120 176.519 0.344 0.000 1.239 471 W CA -0.463 57.042 57.345 0.267 0.000 1.176 471 W CB 1.086 30.746 29.460 0.334 0.000 1.433 471 W HN 0.138 nan 8.180 nan 0.000 0.562 472 I N 2.082 122.984 120.570 0.553 0.000 2.509 472 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 472 I C -1.209 175.062 176.117 0.256 0.000 1.020 472 I CA -1.043 60.457 61.300 0.334 0.000 1.088 472 I CB 1.636 39.714 38.000 0.131 0.000 1.267 472 I HN 0.193 nan 8.210 nan 0.000 0.430 473 F N 5.257 125.084 119.950 -0.205 0.000 2.411 473 F HA 0.336 4.863 4.527 -0.000 0.000 0.352 473 F C -0.160 175.423 175.800 -0.362 0.000 1.123 473 F CA -0.605 57.041 58.000 -0.591 0.000 1.044 473 F CB 0.906 39.293 39.000 -1.021 0.000 1.135 473 F HN 0.372 nan 8.300 nan 0.000 0.461 474 D N 6.014 125.961 120.400 -0.755 0.000 2.317 474 D HA 0.202 4.842 4.640 -0.000 0.000 0.234 474 D C 0.876 176.739 176.300 -0.730 0.000 1.112 474 D CA -0.182 53.492 54.000 -0.543 0.000 0.840 474 D CB 1.090 41.680 40.800 -0.349 0.000 1.078 474 D HN 0.667 nan 8.370 nan 0.000 0.486 475 M N 2.661 121.990 119.600 -0.453 0.000 2.080 475 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 475 M C 1.872 178.044 176.300 -0.215 0.000 1.068 475 M CA 1.464 56.578 55.300 -0.309 0.000 1.109 475 M CB -0.151 32.344 32.600 -0.174 0.000 1.342 475 M HN 0.369 nan 8.290 nan 0.000 0.405 476 K N -0.144 120.152 120.400 -0.172 0.000 2.020 476 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 476 K C 2.016 178.540 176.600 -0.126 0.000 1.050 476 K CA 2.102 58.325 56.287 -0.107 0.000 0.929 476 K CB -0.826 31.621 32.500 -0.088 0.000 0.714 476 K HN 0.507 nan 8.250 nan 0.000 0.443 477 T N -1.795 112.642 114.554 -0.195 0.000 3.107 477 T HA 0.118 4.468 4.350 -0.000 0.000 0.249 477 T C 0.288 174.847 174.700 -0.236 0.000 1.096 477 T CA -0.340 61.657 62.100 -0.173 0.000 1.012 477 T CB -0.090 68.685 68.868 -0.155 0.000 0.977 477 T HN 0.175 nan 8.240 nan 0.000 0.527 478 R N 1.229 121.479 120.500 -0.417 0.000 3.251 478 R HA -0.128 4.212 4.340 -0.000 0.000 0.249 478 R C -0.834 175.174 176.300 -0.487 0.000 0.949 478 R CA 0.641 56.426 56.100 -0.524 0.000 0.645 478 R CB -1.890 28.392 30.300 -0.029 0.000 1.065 478 R HN 0.679 nan 8.270 nan 0.000 0.452 479 E N -0.527 119.240 120.200 -0.721 0.000 2.266 479 E HA 0.294 4.643 4.350 -0.000 0.000 0.268 479 E C -0.792 175.648 176.600 -0.266 0.000 0.879 479 E CA -0.785 55.439 56.400 -0.292 0.000 0.762 479 E CB 1.184 30.804 29.700 -0.134 0.000 1.199 479 E HN 0.127 nan 8.360 nan 0.000 0.422 480 W N 1.697 123.099 121.300 0.171 0.000 2.390 480 W HA 0.296 4.956 4.660 -0.001 0.000 0.312 480 W C -0.138 176.609 176.519 0.380 0.000 1.123 480 W CA -0.353 57.205 57.345 0.355 0.000 1.202 480 W CB 1.523 31.188 29.460 0.341 0.000 1.251 480 W HN 0.330 nan 8.180 nan 0.000 0.511 481 S N 3.543 119.615 115.700 0.621 0.000 2.594 481 S HA 0.532 5.002 4.470 -0.000 0.000 0.296 481 S C -0.826 173.819 174.600 0.075 0.000 1.124 481 S CA -1.031 57.351 58.200 0.303 0.000 1.011 481 S CB 1.418 64.693 63.200 0.124 0.000 1.016 481 S HN 0.575 nan 8.310 nan 0.000 0.485 482 M N 5.067 124.372 119.600 -0.490 0.000 2.188 482 M HA 0.386 4.866 4.480 -0.000 0.000 0.354 482 M C -0.127 175.927 176.300 -0.410 0.000 1.342 482 M CA -0.463 54.251 55.300 -0.977 0.000 1.117 482 M CB 0.125 31.855 32.600 -1.449 0.000 1.670 482 M HN 0.872 nan 8.290 nan 0.000 0.466 483 I N 1.462 121.861 120.570 -0.285 0.000 4.202 483 I HA 0.458 4.627 4.170 -0.000 0.000 0.242 483 I C -0.144 175.926 176.117 -0.079 0.000 1.483 483 I CA -1.155 60.077 61.300 -0.114 0.000 1.007 483 I CB 0.435 38.406 38.000 -0.048 0.000 1.638 483 I HN 0.583 nan 8.210 nan 0.000 0.682 484 K N 1.831 122.254 120.400 0.038 0.000 2.416 484 K HA 0.117 4.437 4.320 -0.000 0.000 0.283 484 K C -0.075 176.622 176.600 0.162 0.000 1.037 484 K CA -0.108 56.248 56.287 0.114 0.000 0.995 484 K CB 0.378 33.007 32.500 0.216 0.000 0.938 484 K HN 0.767 nan 8.250 nan 0.000 0.475 485 S N 4.302 120.035 115.700 0.055 0.000 2.601 485 S HA 0.244 4.714 4.470 -0.000 0.000 0.271 485 S C 0.417 174.993 174.600 -0.039 0.000 1.305 485 S CA -1.010 57.193 58.200 0.006 0.000 1.022 485 S CB 0.553 63.732 63.200 -0.036 0.000 0.940 485 S HN 0.524 nan 8.310 nan 0.000 0.525 486 L N 2.246 123.368 121.223 -0.168 0.000 2.482 486 L HA 0.125 4.465 4.340 -0.000 0.000 0.273 486 L C 1.630 178.400 176.870 -0.167 0.000 1.228 486 L CA -0.419 54.239 54.840 -0.304 0.000 0.827 486 L CB 0.099 41.957 42.059 -0.335 0.000 1.099 486 L HN 0.828 nan 8.230 nan 0.000 0.494 487 S N -1.612 113.990 115.700 -0.162 0.000 2.446 487 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 487 S C -0.014 174.335 174.600 -0.419 0.000 1.016 487 S CA 0.593 58.645 58.200 -0.247 0.000 0.943 487 S CB -0.108 62.942 63.200 -0.250 0.000 0.786 487 S HN 0.549 nan 8.310 nan 0.000 0.508 488 H N 0.676 119.682 119.070 -0.106 0.000 2.538 488 H HA 0.377 4.933 4.556 -0.000 0.000 0.353 488 H C 0.211 175.494 175.328 -0.076 0.000 1.109 488 H CA -0.791 55.211 56.048 -0.076 0.000 1.192 488 H CB 0.888 30.607 29.762 -0.072 0.000 1.555 488 H HN 0.038 nan 8.280 nan 0.000 0.518 489 T N 0.608 115.206 114.554 0.073 0.000 2.937 489 T HA 0.195 4.545 4.350 -0.000 0.000 0.316 489 T C 0.272 175.019 174.700 0.080 0.000 1.079 489 T CA -0.641 61.506 62.100 0.077 0.000 1.131 489 T CB 0.774 69.708 68.868 0.110 0.000 1.000 489 T HN 0.702 nan 8.240 nan 0.000 0.549 490 R N 2.180 122.743 120.500 0.104 0.000 2.542 490 R HA 0.476 4.816 4.340 -0.000 0.000 0.284 490 R C -1.688 174.796 176.300 0.308 0.000 1.167 490 R CA -0.882 55.261 56.100 0.072 0.000 1.000 490 R CB 0.960 31.203 30.300 -0.095 0.000 1.229 490 R HN 0.789 nan 8.270 nan 0.000 0.416 491 F N 0.702 120.777 119.950 0.208 0.000 2.603 491 F HA 0.633 5.159 4.527 -0.001 0.000 0.317 491 F C 0.543 176.408 175.800 0.108 0.000 1.066 491 F CA -1.134 56.983 58.000 0.196 0.000 0.941 491 F CB 1.546 40.593 39.000 0.077 0.000 1.291 491 F HN 0.652 nan 8.300 nan 0.000 0.472 492 R N 0.374 120.949 120.500 0.124 0.000 3.951 492 R HA -0.179 4.161 4.340 -0.000 0.000 0.352 492 R C 0.039 176.280 176.300 -0.099 0.000 1.178 492 R CA 1.079 57.157 56.100 -0.036 0.000 0.949 492 R CB -2.176 28.122 30.300 -0.003 0.000 1.452 492 R HN 0.998 nan 8.270 nan 0.000 0.540 493 H N -1.032 118.030 119.070 -0.013 0.000 2.639 493 H HA 0.486 5.042 4.556 -0.000 0.000 0.373 493 H C -0.017 175.311 175.328 0.000 0.000 1.372 493 H CA 0.019 56.059 56.048 -0.013 0.000 1.448 493 H CB 0.668 30.432 29.762 0.005 0.000 1.544 493 H HN -0.014 nan 8.280 nan 0.000 0.615 494 S N -0.860 114.909 115.700 0.115 0.000 2.566 494 S HA 0.734 5.204 4.470 -0.000 0.000 0.298 494 S C -0.683 174.007 174.600 0.150 0.000 1.083 494 S CA -0.442 57.793 58.200 0.059 0.000 0.978 494 S CB 1.882 65.107 63.200 0.041 0.000 1.073 494 S HN 0.992 nan 8.310 nan 0.000 0.491 495 A N 0.707 123.595 122.820 0.114 0.000 2.486 495 A HA 0.822 5.142 4.320 -0.000 0.000 0.300 495 A C -0.628 177.012 177.584 0.094 0.000 1.048 495 A CA -0.828 51.286 52.037 0.129 0.000 0.696 495 A CB 0.620 19.724 19.000 0.173 0.000 1.278 495 A HN 1.468 nan 8.150 nan 0.000 0.405 496 C N 0.502 119.852 119.300 0.083 0.000 3.086 496 C HA 0.905 5.364 4.460 -0.000 0.000 0.311 496 C C 0.048 175.044 174.990 0.010 0.000 1.260 496 C CA -0.334 58.732 59.018 0.079 0.000 1.426 496 C CB 1.060 28.894 27.740 0.157 0.000 1.826 496 C HN 1.388 nan 8.230 nan 0.000 0.474 497 S N 1.962 117.664 115.700 0.002 0.000 2.562 497 S HA 0.734 5.204 4.470 -0.000 0.000 0.275 497 S C -0.494 174.006 174.600 -0.167 0.000 1.281 497 S CA -0.563 57.601 58.200 -0.061 0.000 1.045 497 S CB 0.469 63.657 63.200 -0.020 0.000 0.962 497 S HN 0.770 nan 8.310 nan 0.000 0.503 498 L N 2.161 123.208 121.223 -0.293 0.000 2.352 498 L HA 0.436 4.775 4.340 -0.000 0.000 0.269 498 L C -1.638 175.129 176.870 -0.171 0.000 1.034 498 L CA -2.606 51.941 54.840 -0.489 0.000 0.806 498 L CB 0.799 42.367 42.059 -0.819 0.000 1.244 498 L HN 0.363 nan 8.230 nan 0.000 0.447 499 P HA -0.199 nan 4.420 nan 0.000 0.216 499 P C 0.454 177.781 177.300 0.045 0.000 1.154 499 P CA 1.320 64.457 63.100 0.061 0.000 0.865 499 P CB -0.068 31.718 31.700 0.144 0.000 0.789 500 D N -2.150 118.288 120.400 0.064 0.000 2.352 500 D HA 0.092 4.732 4.640 -0.000 0.000 0.232 500 D C 1.378 177.680 176.300 0.004 0.000 1.055 500 D CA 0.718 54.745 54.000 0.045 0.000 0.891 500 D CB -1.123 39.722 40.800 0.076 0.000 0.897 500 D HN 0.270 nan 8.370 nan 0.000 0.529 501 G N -0.485 108.306 108.800 -0.015 0.000 2.179 501 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.260 501 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.260 501 G C 0.254 175.130 174.900 -0.040 0.000 0.977 501 G CA -0.021 45.063 45.100 -0.026 0.000 0.641 501 G HN 0.412 nan 8.290 nan 0.000 0.533 502 N N -0.328 118.334 118.700 -0.063 0.000 2.354 502 N HA 0.490 5.230 4.740 -0.000 0.000 0.246 502 N C 0.117 175.574 175.510 -0.089 0.000 1.285 502 N CA 0.309 53.311 53.050 -0.081 0.000 0.925 502 N CB 1.373 39.803 38.487 -0.094 0.000 1.174 502 N HN 0.198 nan 8.380 nan 0.000 0.478 503 V N 1.572 121.469 119.914 -0.028 0.000 2.540 503 V HA 0.311 4.431 4.120 -0.000 0.000 0.302 503 V C -0.278 175.811 176.094 -0.007 0.000 1.035 503 V CA -0.863 61.434 62.300 -0.005 0.000 0.873 503 V CB 1.776 33.648 31.823 0.082 0.000 0.992 503 V HN 0.398 nan 8.190 nan 0.000 0.428 504 L N 6.197 127.386 121.223 -0.056 0.000 2.289 504 L HA 0.675 5.015 4.340 -0.000 0.000 0.285 504 L C -0.625 176.266 176.870 0.036 0.000 1.049 504 L CA 0.273 55.082 54.840 -0.052 0.000 0.804 504 L CB 1.041 43.022 42.059 -0.129 0.000 1.195 504 L HN 0.559 nan 8.230 nan 0.000 0.428 505 I N 5.772 126.373 120.570 0.052 0.000 2.436 505 I HA 0.393 4.562 4.170 -0.000 0.000 0.289 505 I C -0.972 175.176 176.117 0.052 0.000 1.010 505 I CA -0.376 60.975 61.300 0.085 0.000 1.098 505 I CB 1.858 39.907 38.000 0.081 0.000 1.266 505 I HN 0.453 nan 8.210 nan 0.000 0.434 506 L N 6.507 127.785 121.223 0.092 0.000 2.349 506 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 506 L C 0.819 177.750 176.870 0.102 0.000 0.996 506 L CA 0.068 54.959 54.840 0.084 0.000 0.825 506 L CB 1.142 43.255 42.059 0.090 0.000 1.243 506 L HN 0.892 nan 8.230 nan 0.000 0.412 507 G N 3.777 112.623 108.800 0.076 0.000 2.634 507 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.309 507 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.309 507 G C 0.486 175.410 174.900 0.041 0.000 1.265 507 G CA 0.112 45.244 45.100 0.053 0.000 0.998 507 G HN 1.850 nan 8.290 nan 0.000 0.551 508 G N -3.461 105.344 108.800 0.008 0.000 2.712 508 G HA2 0.265 4.225 3.960 -0.000 0.000 0.683 508 G HA3 0.265 4.225 3.960 -0.000 0.000 0.683 508 G C -0.193 174.617 174.900 -0.151 0.000 1.320 508 G CA 0.243 45.314 45.100 -0.050 0.000 0.847 508 G HN 1.952 nan 8.290 nan 0.000 0.553 509 V N 1.599 121.290 119.914 -0.370 0.000 2.409 509 V HA 0.538 4.657 4.120 -0.000 0.000 0.270 509 V C 0.997 176.901 176.094 -0.316 0.000 1.019 509 V CA 1.440 63.480 62.300 -0.433 0.000 1.066 509 V CB 0.218 31.517 31.823 -0.873 0.000 1.021 509 V HN 1.367 nan 8.190 nan 0.000 0.476 510 T N 3.369 117.836 114.554 -0.144 0.000 2.893 510 T HA 0.267 4.616 4.350 -0.000 0.000 0.337 510 T C 0.116 174.775 174.700 -0.067 0.000 1.587 510 T CA -0.557 61.493 62.100 -0.083 0.000 1.066 510 T CB 1.898 70.711 68.868 -0.092 0.000 1.414 510 T HN 0.595 nan 8.240 nan 0.000 0.488 511 E N 1.171 121.345 120.200 -0.044 0.000 2.474 511 E HA 0.225 4.575 4.350 -0.000 0.000 0.195 511 E C 1.020 177.390 176.600 -0.382 0.000 1.039 511 E CA 0.054 56.412 56.400 -0.069 0.000 0.881 511 E CB 0.526 30.288 29.700 0.104 0.000 0.970 511 E HN 0.700 nan 8.360 nan 0.000 0.486 512 G N 2.042 110.508 108.800 -0.555 0.000 2.537 512 G HA2 0.370 4.330 3.960 -0.000 0.000 0.297 512 G HA3 0.370 4.330 3.960 -0.000 0.000 0.297 512 G C -2.459 172.209 174.900 -0.387 0.000 1.310 512 G CA -1.145 43.403 45.100 -0.919 0.000 1.027 512 G HN -0.109 nan 8.290 nan 0.000 0.505 513 P HA 0.144 nan 4.420 nan 0.000 0.265 513 P C 0.617 177.869 177.300 -0.080 0.000 1.187 513 P CA 0.456 63.480 63.100 -0.127 0.000 0.766 513 P CB 0.898 32.549 31.700 -0.082 0.000 0.820 514 A N 3.264 126.070 122.820 -0.024 0.000 2.121 514 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 514 A C 0.947 178.553 177.584 0.036 0.000 1.154 514 A CA 1.246 53.313 52.037 0.049 0.000 0.679 514 A CB -0.564 18.541 19.000 0.175 0.000 0.795 514 A HN 0.596 nan 8.150 nan 0.000 0.458 515 M N -0.265 119.311 119.600 -0.040 0.000 2.277 515 M HA 0.541 5.021 4.480 -0.000 0.000 0.282 515 M C -2.274 173.999 176.300 -0.044 0.000 1.074 515 M CA -0.336 54.925 55.300 -0.064 0.000 0.954 515 M CB 1.683 34.178 32.600 -0.176 0.000 1.672 515 M HN 0.094 nan 8.290 nan 0.000 0.471 516 L N 4.494 125.716 121.223 -0.002 0.000 2.362 516 L HA 0.664 5.003 4.340 -0.000 0.000 0.271 516 L C -1.376 175.557 176.870 0.105 0.000 1.002 516 L CA -1.043 53.839 54.840 0.071 0.000 0.818 516 L CB 2.212 44.334 42.059 0.106 0.000 1.298 516 L HN 0.580 nan 8.230 nan 0.000 0.420 517 L N 3.081 124.378 121.223 0.122 0.000 2.298 517 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 517 L C -1.147 175.791 176.870 0.113 0.000 1.013 517 L CA -0.255 54.633 54.840 0.079 0.000 0.824 517 L CB 1.029 43.100 42.059 0.021 0.000 1.221 517 L HN 0.403 nan 8.230 nan 0.000 0.418 518 Y N 5.361 125.630 120.300 -0.051 0.000 2.383 518 Y HA 0.362 4.912 4.550 -0.000 0.000 0.344 518 Y C 0.213 175.979 175.900 -0.223 0.000 0.986 518 Y CA -0.156 57.765 58.100 -0.298 0.000 1.175 518 Y CB 0.497 38.666 38.460 -0.485 0.000 1.152 518 Y HN 0.705 nan 8.280 nan 0.000 0.511 519 N N 5.584 123.797 118.700 -0.812 0.000 2.406 519 N HA 0.068 4.808 4.740 -0.000 0.000 0.251 519 N C 0.560 175.546 175.510 -0.873 0.000 1.069 519 N CA 0.168 52.855 53.050 -0.604 0.000 0.947 519 N CB 1.393 39.649 38.487 -0.385 0.000 1.111 519 N HN 0.694 nan 8.380 nan 0.000 0.497 520 V N 3.298 122.925 119.914 -0.478 0.000 2.358 520 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 520 V C 2.012 177.986 176.094 -0.200 0.000 1.047 520 V CA 1.787 63.927 62.300 -0.265 0.000 1.035 520 V CB -0.588 31.212 31.823 -0.039 0.000 0.658 520 V HN 0.654 nan 8.190 nan 0.000 0.452 521 T N -0.737 113.713 114.554 -0.174 0.000 2.770 521 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 521 T C 1.753 176.368 174.700 -0.140 0.000 1.039 521 T CA 0.989 63.017 62.100 -0.120 0.000 1.142 521 T CB -0.197 68.619 68.868 -0.088 0.000 0.868 521 T HN 0.343 nan 8.240 nan 0.000 0.435 522 E N 0.972 121.058 120.200 -0.190 0.000 2.482 522 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 522 E C 0.467 176.947 176.600 -0.200 0.000 1.047 522 E CA 0.133 56.431 56.400 -0.170 0.000 0.869 522 E CB -0.216 29.387 29.700 -0.160 0.000 0.836 522 E HN 0.578 nan 8.360 nan 0.000 0.520 523 E N -0.118 119.901 120.200 -0.301 0.000 2.476 523 E HA -0.221 4.128 4.350 -0.000 0.000 0.251 523 E C -0.426 176.027 176.600 -0.246 0.000 1.130 523 E CA 0.335 56.590 56.400 -0.241 0.000 0.736 523 E CB -1.299 28.365 29.700 -0.061 0.000 1.298 523 E HN 0.271 nan 8.360 nan 0.000 0.400 524 I N 0.261 120.547 120.570 -0.474 0.000 2.647 524 I HA 0.364 4.533 4.170 -0.000 0.000 0.295 524 I C -0.003 175.926 176.117 -0.313 0.000 1.078 524 I CA -0.838 60.314 61.300 -0.247 0.000 1.048 524 I CB 1.317 39.234 38.000 -0.139 0.000 1.239 524 I HN -0.117 nan 8.210 nan 0.000 0.421 525 F N 4.686 124.685 119.950 0.082 0.000 2.411 525 F HA 0.392 4.919 4.527 -0.001 0.000 0.350 525 F C 0.292 176.115 175.800 0.039 0.000 1.114 525 F CA -0.302 57.767 58.000 0.115 0.000 1.135 525 F CB 1.209 40.296 39.000 0.145 0.000 1.120 525 F HN 0.278 nan 8.300 nan 0.000 0.495 526 K N 2.565 123.085 120.400 0.199 0.000 2.324 526 K HA 0.222 4.542 4.320 -0.000 0.000 0.253 526 K C -1.271 175.386 176.600 0.095 0.000 0.932 526 K CA -0.813 55.538 56.287 0.107 0.000 0.799 526 K CB 1.273 33.799 32.500 0.044 0.000 1.154 526 K HN 0.455 nan 8.250 nan 0.000 0.425 527 D N 3.966 124.403 120.400 0.061 0.000 2.338 527 D HA 0.052 4.692 4.640 -0.000 0.000 0.255 527 D C 0.074 176.374 176.300 -0.000 0.000 1.237 527 D CA -0.232 53.782 54.000 0.024 0.000 0.883 527 D CB 1.111 41.919 40.800 0.014 0.000 1.087 527 D HN 0.343 nan 8.370 nan 0.000 0.485 528 V N 1.343 121.242 119.914 -0.025 0.000 2.988 528 V HA 0.293 4.413 4.120 -0.000 0.000 0.356 528 V C 0.434 176.448 176.094 -0.133 0.000 1.380 528 V CA -0.601 61.670 62.300 -0.048 0.000 1.184 528 V CB -0.346 31.467 31.823 -0.016 0.000 1.204 528 V HN 0.363 nan 8.190 nan 0.000 0.530 529 T N 4.937 119.400 114.554 -0.153 0.000 2.831 529 T HA 0.242 4.592 4.350 -0.000 0.000 0.291 529 T C -2.074 172.465 174.700 -0.269 0.000 0.981 529 T CA 0.371 62.306 62.100 -0.275 0.000 1.174 529 T CB 0.566 69.341 68.868 -0.155 0.000 0.929 529 T HN 0.492 nan 8.240 nan 0.000 0.532 530 P HA 0.177 nan 4.420 nan 0.000 0.274 530 P C -0.294 176.974 177.300 -0.054 0.000 1.237 530 P CA -0.714 62.252 63.100 -0.223 0.000 0.793 530 P CB 0.443 31.988 31.700 -0.258 0.000 0.977 531 K N 1.723 122.141 120.400 0.031 0.000 2.111 531 K HA 0.264 4.584 4.320 -0.000 0.000 0.249 531 K C -0.343 176.347 176.600 0.150 0.000 1.157 531 K CA 0.005 56.342 56.287 0.083 0.000 1.048 531 K CB -0.195 32.340 32.500 0.059 0.000 1.498 531 K HN 0.405 nan 8.250 nan 0.000 0.344 532 D N 1.447 121.995 120.400 0.246 0.000 2.753 532 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 532 D C 0.056 176.545 176.300 0.314 0.000 1.213 532 D CA -0.390 53.791 54.000 0.301 0.000 0.833 532 D CB 1.680 42.735 40.800 0.425 0.000 1.607 532 D HN 0.307 nan 8.370 nan 0.000 0.463 533 E N 1.433 121.769 120.200 0.226 0.000 2.347 533 E HA -0.082 4.267 4.350 -0.000 0.000 0.196 533 E C 1.463 178.162 176.600 0.166 0.000 1.008 533 E CA 0.218 56.718 56.400 0.167 0.000 0.852 533 E CB 0.125 29.891 29.700 0.111 0.000 0.783 533 E HN 0.412 nan 8.360 nan 0.000 0.505 534 F N 0.616 120.587 119.950 0.035 0.000 2.192 534 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 534 F C 1.255 176.943 175.800 -0.187 0.000 1.079 534 F CA 1.343 59.265 58.000 -0.129 0.000 1.303 534 F CB -0.047 38.757 39.000 -0.327 0.000 1.024 534 F HN -0.093 nan 8.300 nan 0.000 0.494 535 F N 0.231 120.259 119.950 0.130 0.000 2.692 535 F HA 0.122 4.649 4.527 -0.000 0.000 0.303 535 F C 1.930 177.728 175.800 -0.003 0.000 1.114 535 F CA -0.032 57.994 58.000 0.044 0.000 1.361 535 F CB -0.616 38.460 39.000 0.128 0.000 1.063 535 F HN -0.016 nan 8.300 nan 0.000 0.550 536 Q N 0.065 119.917 119.800 0.086 0.000 2.181 536 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 536 Q C 0.271 176.277 176.000 0.009 0.000 0.980 536 Q CA 0.887 56.712 55.803 0.036 0.000 0.862 536 Q CB -0.029 28.703 28.738 -0.011 0.000 0.905 536 Q HN 0.263 nan 8.270 nan 0.000 0.429 537 N N 0.011 118.707 118.700 -0.007 0.000 2.362 537 N HA 0.144 4.884 4.740 -0.000 0.000 0.298 537 N C -1.295 174.294 175.510 0.131 0.000 1.048 537 N CA -0.132 52.952 53.050 0.057 0.000 0.858 537 N CB 1.943 40.433 38.487 0.005 0.000 1.218 537 N HN -0.090 nan 8.380 nan 0.000 0.488 538 S N 1.276 117.046 115.700 0.118 0.000 2.533 538 S HA 0.169 4.639 4.470 -0.000 0.000 0.282 538 S C -0.168 174.469 174.600 0.061 0.000 1.304 538 S CA -0.445 57.802 58.200 0.078 0.000 1.063 538 S CB 0.029 63.246 63.200 0.030 0.000 0.881 538 S HN 0.287 nan 8.310 nan 0.000 0.493 539 L N 6.746 127.970 121.223 0.001 0.000 2.260 539 L HA 0.436 4.775 4.340 -0.000 0.000 0.289 539 L C -0.663 176.171 176.870 -0.061 0.000 1.057 539 L CA 0.093 54.873 54.840 -0.100 0.000 0.811 539 L CB 1.188 43.210 42.059 -0.063 0.000 1.184 539 L HN 0.466 nan 8.230 nan 0.000 0.429 540 V N 3.885 123.757 119.914 -0.071 0.000 2.350 540 V HA 0.343 4.463 4.120 -0.000 0.000 0.276 540 V C 0.625 176.628 176.094 -0.152 0.000 1.028 540 V CA -0.567 61.711 62.300 -0.037 0.000 0.860 540 V CB 0.982 32.863 31.823 0.098 0.000 0.990 540 V HN 0.878 nan 8.190 nan 0.000 0.453 541 S N 2.695 118.272 115.700 -0.205 0.000 3.791 541 S HA -0.142 4.328 4.470 -0.000 0.000 0.393 541 S C 0.303 174.758 174.600 -0.242 0.000 0.936 541 S CA 0.492 58.500 58.200 -0.321 0.000 1.234 541 S CB -0.788 61.972 63.200 -0.733 0.000 0.891 541 S HN 1.432 nan 8.310 nan 0.000 0.519 542 A N 0.847 123.597 122.820 -0.117 0.000 2.295 542 A HA 0.805 5.125 4.320 -0.000 0.000 0.318 542 A C 0.839 178.399 177.584 -0.040 0.000 1.134 542 A CA 0.067 52.072 52.037 -0.053 0.000 0.827 542 A CB 0.677 19.678 19.000 0.002 0.000 1.136 542 A HN 1.046 nan 8.150 nan 0.000 0.493 543 G N -0.617 108.167 108.800 -0.026 0.000 2.441 543 G HA2 0.495 4.455 3.960 -0.000 0.000 0.243 543 G HA3 0.495 4.455 3.960 -0.000 0.000 0.243 543 G C -0.812 174.097 174.900 0.016 0.000 1.281 543 G CA 0.058 45.140 45.100 -0.030 0.000 0.854 543 G HN 1.196 nan 8.290 nan 0.000 0.560 544 L N 0.852 122.094 121.223 0.032 0.000 2.505 544 L HA 0.782 5.121 4.340 -0.000 0.000 0.266 544 L C -0.971 175.972 176.870 0.121 0.000 0.954 544 L CA -0.691 54.219 54.840 0.118 0.000 0.852 544 L CB 2.490 44.630 42.059 0.135 0.000 1.282 544 L HN 0.649 nan 8.230 nan 0.000 0.403 545 E N 3.832 124.134 120.200 0.170 0.000 2.352 545 E HA 0.533 4.883 4.350 -0.000 0.000 0.280 545 E C -2.252 174.549 176.600 0.336 0.000 0.930 545 E CA -0.372 56.139 56.400 0.185 0.000 0.765 545 E CB 1.550 31.262 29.700 0.020 0.000 1.219 545 E HN 0.426 nan 8.360 nan 0.000 0.434 546 F N 2.133 122.205 119.950 0.204 0.000 2.538 546 F HA 0.541 5.068 4.527 -0.000 0.000 0.325 546 F C -0.895 174.960 175.800 0.092 0.000 1.066 546 F CA -0.801 57.283 58.000 0.141 0.000 0.946 546 F CB 1.840 40.891 39.000 0.086 0.000 1.199 546 F HN 0.495 nan 8.300 nan 0.000 0.473 547 D N 5.696 125.649 120.400 -0.745 0.000 2.461 547 D HA 0.413 5.053 4.640 -0.000 0.000 0.240 547 D C -2.150 173.856 176.300 -0.490 0.000 1.094 547 D CA -2.407 51.173 54.000 -0.700 0.000 0.868 547 D CB 1.854 41.902 40.800 -1.254 0.000 1.062 547 D HN 0.088 nan 8.370 nan 0.000 0.530 548 P HA -0.211 nan 4.420 nan 0.000 0.217 548 P C 1.399 178.695 177.300 -0.007 0.000 1.151 548 P CA 0.686 63.852 63.100 0.110 0.000 0.849 548 P CB 0.342 32.097 31.700 0.092 0.000 0.787 549 V N 0.308 120.151 119.914 -0.118 0.000 2.216 549 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 549 V C 2.391 178.411 176.094 -0.124 0.000 1.044 549 V CA 2.700 64.935 62.300 -0.109 0.000 0.995 549 V CB -1.670 30.073 31.823 -0.133 0.000 0.633 549 V HN 0.264 nan 8.190 nan 0.000 0.446 550 S N -1.261 114.310 115.700 -0.216 0.000 2.562 550 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 550 S C 0.949 175.434 174.600 -0.192 0.000 0.975 550 S CA 0.393 58.476 58.200 -0.195 0.000 0.918 550 S CB -0.434 62.624 63.200 -0.238 0.000 0.772 550 S HN 0.597 nan 8.310 nan 0.000 0.531 551 K N 0.492 120.755 120.400 -0.228 0.000 3.071 551 K HA -0.175 4.145 4.320 -0.000 0.000 0.265 551 K C -0.665 175.725 176.600 -0.350 0.000 1.060 551 K CA 0.745 56.978 56.287 -0.090 0.000 0.767 551 K CB -1.647 30.955 32.500 0.171 0.000 1.241 551 K HN 0.678 nan 8.250 nan 0.000 0.486 552 Q N -0.676 118.633 119.800 -0.819 0.000 2.377 552 Q HA 0.656 4.995 4.340 -0.000 0.000 0.271 552 Q C 0.169 175.514 176.000 -1.092 0.000 1.077 552 Q CA -0.697 54.671 55.803 -0.725 0.000 0.820 552 Q CB 2.505 31.001 28.738 -0.404 0.000 1.347 552 Q HN 0.269 nan 8.270 nan 0.000 0.444 553 G N 0.963 109.070 108.800 -1.155 0.000 2.605 553 G HA2 0.750 4.709 3.960 -0.000 0.000 0.296 553 G HA3 0.750 4.709 3.960 -0.000 0.000 0.296 553 G C -1.044 173.426 174.900 -0.716 0.000 1.304 553 G CA -0.509 43.990 45.100 -1.002 0.000 0.941 553 G HN 0.458 nan 8.290 nan 0.000 0.475 554 I N 0.500 121.012 120.570 -0.097 0.000 2.569 554 I HA 0.429 4.599 4.170 -0.000 0.000 0.296 554 I C -0.625 175.631 176.117 0.231 0.000 1.028 554 I CA -0.748 60.576 61.300 0.039 0.000 1.082 554 I CB 2.282 40.194 38.000 -0.146 0.000 1.264 554 I HN 0.174 nan 8.210 nan 0.000 0.429 555 I N 6.088 126.787 120.570 0.215 0.000 2.378 555 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 555 I C -0.903 175.222 176.117 0.013 0.000 0.992 555 I CA -0.697 60.695 61.300 0.154 0.000 1.154 555 I CB 2.042 40.163 38.000 0.202 0.000 1.315 555 I HN 0.219 nan 8.210 nan 0.000 0.448 556 L N 6.393 127.610 121.223 -0.009 0.000 2.349 556 L HA 0.652 4.992 4.340 -0.000 0.000 0.278 556 L C 0.557 177.438 176.870 0.019 0.000 0.996 556 L CA 0.509 55.309 54.840 -0.065 0.000 0.825 556 L CB 0.560 42.541 42.059 -0.130 0.000 1.243 556 L HN 0.913 nan 8.230 nan 0.000 0.412 557 G N 4.084 112.928 108.800 0.073 0.000 2.566 557 G HA2 0.152 4.112 3.960 -0.000 0.000 0.280 557 G HA3 0.152 4.112 3.960 -0.000 0.000 0.280 557 G C 0.332 175.271 174.900 0.065 0.000 1.225 557 G CA 0.063 45.236 45.100 0.122 0.000 0.966 557 G HN 2.147 nan 8.290 nan 0.000 0.560 558 G N -2.215 106.610 108.800 0.042 0.000 2.885 558 G HA2 0.590 4.550 3.960 -0.000 0.000 0.685 558 G HA3 0.590 4.550 3.960 -0.000 0.000 0.685 558 G C 0.318 175.159 174.900 -0.099 0.000 1.216 558 G CA 0.579 45.649 45.100 -0.050 0.000 0.790 558 G HN 2.408 nan 8.290 nan 0.000 0.631 559 G N -0.353 108.488 108.800 0.069 0.000 2.462 559 G HA2 0.823 4.783 3.960 -0.000 0.000 0.319 559 G HA3 0.823 4.783 3.960 -0.000 0.000 0.319 559 G C -0.289 174.518 174.900 -0.156 0.000 1.171 559 G CA -0.888 44.287 45.100 0.125 0.000 0.920 559 G HN 0.649 nan 8.290 nan 0.000 0.499 560 F N -0.891 119.173 119.950 0.190 0.000 2.461 560 F HA 0.392 4.919 4.527 -0.000 0.000 0.332 560 F C 1.695 177.566 175.800 0.117 0.000 1.073 560 F CA -0.809 57.255 58.000 0.107 0.000 1.017 560 F CB 1.887 40.925 39.000 0.063 0.000 1.301 560 F HN 0.216 nan 8.300 nan 0.000 0.492 561 M N 0.641 120.412 119.600 0.286 0.000 2.618 561 M HA -0.042 4.437 4.480 -0.000 0.000 0.240 561 M C 0.812 177.204 176.300 0.152 0.000 1.123 561 M CA 0.390 55.793 55.300 0.171 0.000 1.060 561 M CB -0.409 32.251 32.600 0.100 0.000 1.535 561 M HN 0.557 nan 8.290 nan 0.000 0.507 562 D N -0.491 120.017 120.400 0.180 0.000 2.349 562 D HA -0.121 4.519 4.640 -0.000 0.000 0.224 562 D C 0.586 177.013 176.300 0.212 0.000 1.029 562 D CA 0.312 54.394 54.000 0.137 0.000 0.879 562 D CB -0.240 40.612 40.800 0.085 0.000 0.906 562 D HN 0.389 nan 8.370 nan 0.000 0.528 563 Q N -1.514 118.444 119.800 0.263 0.000 2.332 563 Q HA -0.238 4.102 4.340 -0.000 0.000 0.222 563 Q C 0.427 176.712 176.000 0.475 0.000 0.758 563 Q CA 1.548 57.529 55.803 0.297 0.000 1.355 563 Q CB -2.363 26.522 28.738 0.244 0.000 1.705 563 Q HN 0.443 nan 8.270 nan 0.000 0.638 564 T N -1.500 113.330 114.554 0.459 0.000 3.114 564 T HA 0.038 4.387 4.350 -0.000 0.000 0.240 564 T C 0.736 175.749 174.700 0.522 0.000 0.983 564 T CA 0.911 63.336 62.100 0.542 0.000 1.151 564 T CB 0.348 69.357 68.868 0.235 0.000 0.974 564 T HN 0.206 nan 8.240 nan 0.000 0.442 565 T N 2.784 117.593 114.554 0.425 0.000 2.913 565 T HA 0.509 4.858 4.350 -0.000 0.000 0.297 565 T C -0.549 174.444 174.700 0.489 0.000 1.029 565 T CA -0.211 62.170 62.100 0.468 0.000 1.104 565 T CB 1.267 70.431 68.868 0.494 0.000 0.964 565 T HN -0.036 nan 8.240 nan 0.000 0.532 566 V N 2.635 122.784 119.914 0.392 0.000 2.488 566 V HA 0.336 4.456 4.120 -0.000 0.000 0.293 566 V C 0.313 176.548 176.094 0.234 0.000 1.027 566 V CA -1.028 61.423 62.300 0.251 0.000 0.862 566 V CB 1.789 33.763 31.823 0.252 0.000 1.008 566 V HN 1.064 nan 8.190 nan 0.000 0.428 567 S N 2.989 118.762 115.700 0.123 0.000 2.558 567 S HA 0.034 4.504 4.470 -0.000 0.000 0.291 567 S C 0.709 175.450 174.600 0.234 0.000 1.306 567 S CA 0.487 58.824 58.200 0.228 0.000 1.056 567 S CB 0.484 63.780 63.200 0.160 0.000 0.836 567 S HN 0.919 nan 8.310 nan 0.000 0.504 568 D N 2.143 122.703 120.400 0.266 0.000 2.501 568 D HA 0.176 4.816 4.640 -0.000 0.000 0.226 568 D C -0.352 176.152 176.300 0.341 0.000 1.198 568 D CA -0.328 53.840 54.000 0.280 0.000 0.830 568 D CB 0.059 40.987 40.800 0.213 0.000 1.014 568 D HN 0.310 nan 8.370 nan 0.000 0.496 569 K N 0.896 121.478 120.400 0.303 0.000 2.183 569 K HA 0.638 4.958 4.320 -0.000 0.000 0.274 569 K C -0.332 176.335 176.600 0.111 0.000 1.009 569 K CA -0.689 55.737 56.287 0.232 0.000 0.888 569 K CB 2.210 34.808 32.500 0.164 0.000 1.078 569 K HN 0.101 nan 8.250 nan 0.000 0.459 570 A N 4.528 127.362 122.820 0.023 0.000 2.249 570 A HA 0.535 4.854 4.320 -0.000 0.000 0.314 570 A C -0.278 177.216 177.584 -0.150 0.000 1.290 570 A CA -0.689 51.205 52.037 -0.239 0.000 0.893 570 A CB 0.049 18.611 19.000 -0.729 0.000 1.165 570 A HN 0.733 nan 8.150 nan 0.000 0.530 571 I N 3.647 124.133 120.570 -0.139 0.000 2.382 571 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 571 I C -0.892 175.259 176.117 0.057 0.000 1.002 571 I CA -0.557 60.679 61.300 -0.106 0.000 1.135 571 I CB 1.523 39.340 38.000 -0.306 0.000 1.288 571 I HN 0.511 nan 8.210 nan 0.000 0.448 572 I N 7.853 128.446 120.570 0.038 0.000 2.441 572 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 572 I C -0.134 176.072 176.117 0.148 0.000 1.049 572 I CA 0.094 61.414 61.300 0.033 0.000 1.381 572 I CB 0.249 38.238 38.000 -0.019 0.000 1.409 572 I HN 0.323 nan 8.210 nan 0.000 0.523 573 F N 3.927 123.929 119.950 0.085 0.000 2.620 573 F HA 0.864 5.391 4.527 -0.000 0.000 0.320 573 F C -0.710 175.178 175.800 0.146 0.000 1.069 573 F CA -1.410 56.666 58.000 0.127 0.000 0.953 573 F CB 1.253 40.358 39.000 0.175 0.000 1.322 573 F HN 0.166 nan 8.300 nan 0.000 0.479 574 K N 1.193 121.819 120.400 0.377 0.000 2.292 574 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 574 K C -2.274 174.615 176.600 0.480 0.000 0.940 574 K CA -0.687 55.770 56.287 0.283 0.000 0.811 574 K CB 1.108 33.704 32.500 0.160 0.000 1.120 574 K HN 0.716 nan 8.250 nan 0.000 0.428 575 Y N 2.966 123.493 120.300 0.379 0.000 2.369 575 Y HA 0.366 4.916 4.550 -0.001 0.000 0.337 575 Y C -1.062 174.946 175.900 0.181 0.000 0.961 575 Y CA -1.235 57.052 58.100 0.312 0.000 1.186 575 Y CB 1.049 39.693 38.460 0.308 0.000 1.139 575 Y HN 0.651 nan 8.280 nan 0.000 0.494 576 D N 5.218 125.437 120.400 -0.302 0.000 2.485 576 D HA 0.400 5.040 4.640 -0.000 0.000 0.229 576 D C 0.942 176.883 176.300 -0.597 0.000 1.101 576 D CA 0.391 54.179 54.000 -0.354 0.000 0.906 576 D CB 1.061 41.781 40.800 -0.133 0.000 1.019 576 D HN 0.761 nan 8.370 nan 0.000 0.516 577 A N 4.245 126.575 122.820 -0.816 0.000 1.909 577 A HA -0.348 3.972 4.320 -0.000 0.000 0.221 577 A C 1.834 179.262 177.584 -0.260 0.000 1.223 577 A CA 2.343 54.031 52.037 -0.582 0.000 0.658 577 A CB -0.643 18.189 19.000 -0.281 0.000 0.831 577 A HN 0.742 nan 8.150 nan 0.000 0.462 578 E N 0.188 120.278 120.200 -0.183 0.000 2.005 578 E HA -0.199 4.150 4.350 -0.000 0.000 0.198 578 E C 0.573 177.124 176.600 -0.082 0.000 1.010 578 E CA 0.855 57.194 56.400 -0.102 0.000 0.825 578 E CB -0.806 28.848 29.700 -0.077 0.000 0.769 578 E HN 0.649 nan 8.360 nan 0.000 0.456 579 N N 1.717 120.368 118.700 -0.081 0.000 2.116 579 N HA -0.116 4.624 4.740 -0.000 0.000 0.277 579 N C 0.662 176.152 175.510 -0.033 0.000 1.291 579 N CA 0.046 53.066 53.050 -0.049 0.000 1.128 579 N CB 0.180 38.641 38.487 -0.043 0.000 1.497 579 N HN 0.333 nan 8.380 nan 0.000 0.478 580 A N 1.904 124.709 122.820 -0.026 0.000 2.024 580 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 580 A C 2.208 179.790 177.584 -0.004 0.000 1.164 580 A CA 1.457 53.486 52.037 -0.014 0.000 0.643 580 A CB -0.155 18.836 19.000 -0.016 0.000 0.806 580 A HN 0.485 nan 8.150 nan 0.000 0.451 581 T N -1.116 113.435 114.554 -0.004 0.000 2.735 581 T HA -0.009 4.341 4.350 -0.000 0.000 0.256 581 T C 0.999 175.701 174.700 0.003 0.000 1.042 581 T CA 1.255 63.355 62.100 0.000 0.000 1.147 581 T CB -0.008 68.861 68.868 0.001 0.000 0.865 581 T HN 0.614 nan 8.240 nan 0.000 0.421 582 E N 1.257 121.460 120.200 0.004 0.000 3.303 582 E HA 0.204 4.554 4.350 -0.000 0.000 0.215 582 E C -2.297 174.315 176.600 0.021 0.000 1.181 582 E CA -1.911 54.495 56.400 0.010 0.000 0.998 582 E CB 1.290 30.997 29.700 0.012 0.000 1.312 582 E HN 0.121 nan 8.360 nan 0.000 0.412 583 P HA -0.039 nan 4.420 nan 0.000 0.222 583 P C 0.051 177.440 177.300 0.148 0.000 1.147 583 P CA 0.749 63.883 63.100 0.057 0.000 0.790 583 P CB 0.251 32.041 31.700 0.150 0.000 0.780 584 I N -0.220 120.429 120.570 0.132 0.000 2.433 584 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 584 I C 0.082 176.262 176.117 0.105 0.000 1.001 584 I CA -0.424 60.975 61.300 0.165 0.000 1.119 584 I CB 1.549 39.571 38.000 0.036 0.000 1.289 584 I HN -0.141 nan 8.210 nan 0.000 0.438 585 T N 2.359 117.022 114.554 0.182 0.000 2.916 585 T HA 0.576 4.925 4.350 -0.000 0.000 0.298 585 T C -0.408 174.422 174.700 0.217 0.000 1.031 585 T CA -0.726 61.464 62.100 0.151 0.000 0.993 585 T CB 2.016 70.954 68.868 0.117 0.000 1.045 585 T HN 0.147 nan 8.240 nan 0.000 0.454 586 V N 4.063 124.097 119.914 0.199 0.000 2.470 586 V HA 0.208 4.328 4.120 -0.000 0.000 0.276 586 V C 1.318 177.502 176.094 0.149 0.000 1.040 586 V CA -0.186 62.245 62.300 0.218 0.000 1.008 586 V CB 0.182 32.136 31.823 0.218 0.000 0.990 586 V HN 0.916 nan 8.190 nan 0.000 0.477 587 I N 3.344 123.996 120.570 0.136 0.000 2.480 587 I HA 0.105 4.274 4.170 -0.000 0.000 0.251 587 I C 1.039 177.191 176.117 0.060 0.000 1.124 587 I CA 0.906 62.255 61.300 0.082 0.000 1.444 587 I CB 0.241 38.273 38.000 0.053 0.000 1.098 587 I HN 0.683 nan 8.210 nan 0.000 0.428 588 K N 1.255 121.687 120.400 0.054 0.000 2.636 588 K HA 0.205 4.525 4.320 -0.000 0.000 0.268 588 K C -1.783 174.824 176.600 0.013 0.000 0.958 588 K CA -0.664 55.644 56.287 0.035 0.000 0.875 588 K CB 1.329 33.847 32.500 0.030 0.000 1.382 588 K HN -0.157 nan 8.250 nan 0.000 0.405 589 K N 4.410 124.814 120.400 0.006 0.000 2.235 589 K HA 0.475 4.795 4.320 -0.000 0.000 0.266 589 K C -0.322 176.303 176.600 0.042 0.000 0.980 589 K CA -0.746 55.529 56.287 -0.018 0.000 0.849 589 K CB 1.371 33.845 32.500 -0.043 0.000 1.098 589 K HN 0.382 nan 8.250 nan 0.000 0.445 590 L N 1.829 123.095 121.223 0.072 0.000 2.332 590 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 590 L C -0.269 176.767 176.870 0.275 0.000 1.016 590 L CA -0.891 54.058 54.840 0.182 0.000 0.809 590 L CB 1.546 43.755 42.059 0.251 0.000 1.280 590 L HN 0.619 nan 8.230 nan 0.000 0.447 591 Q N 0.948 120.928 119.800 0.299 0.000 2.309 591 Q HA 0.497 4.837 4.340 -0.000 0.000 0.273 591 Q C -1.793 174.284 176.000 0.129 0.000 1.040 591 Q CA -0.717 55.246 55.803 0.267 0.000 0.834 591 Q CB 2.611 31.444 28.738 0.158 0.000 1.345 591 Q HN 0.728 nan 8.270 nan 0.000 0.414 592 H N 2.058 121.036 119.070 -0.152 0.000 3.081 592 H HA 0.238 4.793 4.556 -0.000 0.000 0.322 592 H C -2.489 172.676 175.328 -0.273 0.000 1.266 592 H CA -1.053 54.746 56.048 -0.415 0.000 1.279 592 H CB 1.993 31.135 29.762 -1.032 0.000 1.954 592 H HN 0.427 nan 8.280 nan 0.000 0.530 593 P HA -0.113 nan 4.420 nan 0.000 0.216 593 P C 1.139 178.505 177.300 0.110 0.000 1.150 593 P CA 1.263 64.305 63.100 -0.097 0.000 0.837 593 P CB 0.259 31.844 31.700 -0.191 0.000 0.786 594 L N -2.664 118.717 121.223 0.264 0.000 2.622 594 L HA 0.015 4.354 4.340 -0.000 0.000 0.233 594 L C 1.761 178.877 176.870 0.411 0.000 1.156 594 L CA 0.641 55.682 54.840 0.335 0.000 0.866 594 L CB -0.730 41.483 42.059 0.256 0.000 0.980 594 L HN -0.000 nan 8.230 nan 0.000 0.448 595 F N -0.876 119.222 119.950 0.245 0.000 2.754 595 F HA 0.033 4.560 4.527 -0.000 0.000 0.297 595 F C 1.756 177.664 175.800 0.180 0.000 1.122 595 F CA -0.314 57.786 58.000 0.167 0.000 1.400 595 F CB 0.324 39.409 39.000 0.141 0.000 1.117 595 F HN 0.085 nan 8.300 nan 0.000 0.587 596 Q N 3.076 123.099 119.800 0.371 0.000 3.223 596 Q HA 0.065 4.405 4.340 -0.000 0.000 0.299 596 Q C -0.421 175.762 176.000 0.306 0.000 1.385 596 Q CA -0.233 55.740 55.803 0.283 0.000 0.942 596 Q CB -0.117 28.739 28.738 0.197 0.000 1.748 596 Q HN 0.415 nan 8.270 nan 0.000 0.523 597 R N 0.375 121.069 120.500 0.323 0.000 2.778 597 R HA 0.388 4.728 4.340 -0.000 0.000 0.277 597 R C -1.430 175.065 176.300 0.325 0.000 0.977 597 R CA -0.932 55.383 56.100 0.359 0.000 0.950 597 R CB 1.060 31.575 30.300 0.357 0.000 1.165 597 R HN 0.172 nan 8.270 nan 0.000 0.474 598 Y N 0.642 121.094 120.300 0.253 0.000 2.352 598 Y HA 0.422 4.972 4.550 -0.000 0.000 0.339 598 Y C 0.764 176.799 175.900 0.224 0.000 0.992 598 Y CA 0.341 58.578 58.100 0.228 0.000 1.100 598 Y CB 1.811 40.457 38.460 0.311 0.000 1.192 598 Y HN 1.027 nan 8.280 nan 0.000 0.458 599 G N 3.658 112.278 108.800 -0.301 0.000 2.246 599 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.273 599 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.273 599 G C -0.108 174.798 174.900 0.010 0.000 1.055 599 G CA 0.509 45.515 45.100 -0.157 0.000 0.851 599 G HN 1.075 nan 8.290 nan 0.000 0.500 600 S N -1.174 114.535 115.700 0.016 0.000 2.707 600 S HA 0.841 5.310 4.470 -0.000 0.000 0.276 600 S C -0.229 174.329 174.600 -0.070 0.000 1.179 600 S CA -0.564 57.677 58.200 0.068 0.000 0.992 600 S CB 2.203 65.452 63.200 0.082 0.000 1.030 600 S HN 0.402 nan 8.310 nan 0.000 0.554 601 Q N 0.723 120.515 119.800 -0.013 0.000 2.331 601 Q HA 0.541 4.881 4.340 -0.000 0.000 0.272 601 Q C -0.584 175.408 176.000 -0.012 0.000 1.062 601 Q CA -0.511 55.239 55.803 -0.088 0.000 0.806 601 Q CB 2.100 30.697 28.738 -0.235 0.000 1.312 601 Q HN 0.909 nan 8.270 nan 0.000 0.431 602 I N -1.887 118.649 120.570 -0.057 0.000 2.957 602 I HA 0.809 4.978 4.170 -0.000 0.000 0.310 602 I C -0.890 175.165 176.117 -0.104 0.000 1.063 602 I CA -0.899 60.343 61.300 -0.097 0.000 1.033 602 I CB 2.735 40.642 38.000 -0.156 0.000 1.230 602 I HN 0.444 nan 8.210 nan 0.000 0.447 603 K N 3.399 123.703 120.400 -0.161 0.000 2.592 603 K HA 0.280 4.599 4.320 -0.000 0.000 0.259 603 K C -2.072 174.429 176.600 -0.166 0.000 0.937 603 K CA -0.598 55.614 56.287 -0.124 0.000 0.874 603 K CB 1.488 33.974 32.500 -0.024 0.000 1.339 603 K HN 0.705 nan 8.250 nan 0.000 0.425 604 Y N 4.049 124.311 120.300 -0.063 0.000 2.620 604 Y HA 0.012 4.562 4.550 -0.000 0.000 0.330 604 Y C 1.451 177.295 175.900 -0.093 0.000 1.186 604 Y CA 0.341 58.390 58.100 -0.086 0.000 1.467 604 Y CB 0.395 38.805 38.460 -0.083 0.000 1.262 604 Y HN 0.442 nan 8.280 nan 0.000 0.550 605 I N -0.029 120.543 120.570 0.004 0.000 3.526 605 I HA 0.122 4.292 4.170 -0.000 0.000 0.294 605 I C 0.360 176.478 176.117 0.002 0.000 1.229 605 I CA 0.502 61.749 61.300 -0.088 0.000 1.408 605 I CB 0.224 37.988 38.000 -0.394 0.000 1.127 605 I HN 0.453 nan 8.210 nan 0.000 0.439 606 T N 0.516 115.103 114.554 0.055 0.000 2.942 606 T HA 0.237 4.586 4.350 -0.000 0.000 0.327 606 T C -2.299 172.444 174.700 0.072 0.000 1.360 606 T CA -0.702 61.432 62.100 0.057 0.000 1.055 606 T CB 2.280 71.191 68.868 0.071 0.000 1.261 606 T HN -0.334 nan 8.240 nan 0.000 0.485 607 P HA -0.053 nan 4.420 nan 0.000 0.220 607 P C 1.178 178.469 177.300 -0.015 0.000 1.144 607 P CA 0.886 63.884 63.100 -0.170 0.000 0.800 607 P CB 0.273 31.865 31.700 -0.180 0.000 0.772 608 R N -1.443 119.078 120.500 0.034 0.000 2.362 608 R HA 0.227 4.567 4.340 -0.000 0.000 0.227 608 R C 0.322 176.661 176.300 0.067 0.000 0.905 608 R CA 0.086 56.214 56.100 0.047 0.000 1.067 608 R CB 0.235 30.552 30.300 0.029 0.000 1.078 608 R HN 0.091 nan 8.270 nan 0.000 0.516 609 K N 0.857 121.311 120.400 0.089 0.000 2.613 609 K HA 0.283 4.602 4.320 -0.000 0.000 0.248 609 K C -1.678 174.914 176.600 -0.014 0.000 0.959 609 K CA -0.499 55.805 56.287 0.027 0.000 0.855 609 K CB 1.218 33.719 32.500 0.001 0.000 1.143 609 K HN -0.135 nan 8.250 nan 0.000 0.437 610 L N 5.275 126.437 121.223 -0.102 0.000 2.272 610 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 610 L C -1.271 175.477 176.870 -0.204 0.000 1.032 610 L CA -0.827 53.854 54.840 -0.265 0.000 0.810 610 L CB 0.848 42.666 42.059 -0.401 0.000 1.205 610 L HN 0.637 nan 8.230 nan 0.000 0.422 611 L N 6.697 127.799 121.223 -0.203 0.000 2.331 611 L HA 0.506 4.845 4.340 -0.000 0.000 0.278 611 L C -0.701 176.092 176.870 -0.128 0.000 1.106 611 L CA 0.408 55.157 54.840 -0.152 0.000 0.824 611 L CB 0.556 42.527 42.059 -0.146 0.000 1.142 611 L HN 0.547 nan 8.230 nan 0.000 0.443 612 I N 5.874 126.389 120.570 -0.092 0.000 2.410 612 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 612 I C -0.980 175.109 176.117 -0.047 0.000 1.009 612 I CA -0.738 60.521 61.300 -0.068 0.000 1.111 612 I CB 1.777 39.742 38.000 -0.058 0.000 1.262 612 I HN 0.218 nan 8.210 nan 0.000 0.443 613 V N 5.476 125.401 119.914 0.017 0.000 2.487 613 V HA 0.753 4.873 4.120 -0.000 0.000 0.298 613 V C 0.827 176.998 176.094 0.128 0.000 1.028 613 V CA -0.131 62.198 62.300 0.048 0.000 0.860 613 V CB 1.035 32.944 31.823 0.143 0.000 0.991 613 V HN 1.075 nan 8.190 nan 0.000 0.427 614 G N 3.828 112.584 108.800 -0.074 0.000 2.581 614 G HA2 0.276 4.236 3.960 -0.000 0.000 0.291 614 G HA3 0.276 4.236 3.960 -0.000 0.000 0.291 614 G C 0.649 175.609 174.900 0.100 0.000 1.277 614 G CA -0.007 45.072 45.100 -0.035 0.000 0.959 614 G HN 2.568 nan 8.290 nan 0.000 0.554 615 G N -3.366 105.615 108.800 0.301 0.000 2.795 615 G HA2 0.474 4.434 3.960 -0.000 0.000 0.664 615 G HA3 0.474 4.434 3.960 -0.000 0.000 0.664 615 G C 0.209 175.383 174.900 0.457 0.000 1.381 615 G CA 0.707 46.019 45.100 0.354 0.000 0.853 615 G HN 2.869 nan 8.290 nan 0.000 0.545 616 T N -2.467 112.410 114.554 0.538 0.000 2.938 616 T HA 0.850 5.200 4.350 -0.000 0.000 0.285 616 T C 0.149 175.100 174.700 0.418 0.000 1.028 616 T CA 0.245 62.667 62.100 0.537 0.000 1.005 616 T CB 2.077 71.265 68.868 0.533 0.000 1.157 616 T HN 2.046 nan 8.240 nan 0.000 0.550 617 S N 0.064 115.800 115.700 0.060 0.000 2.546 617 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 617 S C -2.429 171.859 174.600 -0.521 0.000 1.121 617 S CA -1.651 56.448 58.200 -0.168 0.000 0.887 617 S CB 1.698 64.789 63.200 -0.181 0.000 1.094 617 S HN 0.524 nan 8.310 nan 0.000 0.474 618 P HA 0.100 nan 4.420 nan 0.000 0.245 618 P C 0.957 178.154 177.300 -0.172 0.000 1.206 618 P CA 0.373 63.049 63.100 -0.707 0.000 0.781 618 P CB 0.047 31.605 31.700 -0.236 0.000 0.994 619 S N -2.106 113.497 115.700 -0.162 0.000 2.470 619 S HA 0.456 4.926 4.470 -0.000 0.000 0.222 619 S C 1.075 175.455 174.600 -0.367 0.000 1.024 619 S CA 0.578 58.689 58.200 -0.149 0.000 0.931 619 S CB -0.321 62.802 63.200 -0.129 0.000 0.791 619 S HN 0.253 nan 8.310 nan 0.000 0.513 620 G N 0.188 108.583 108.800 -0.675 0.000 2.321 620 G HA2 0.441 4.401 3.960 -0.000 0.000 0.296 620 G HA3 0.441 4.401 3.960 -0.000 0.000 0.296 620 G C -1.973 172.404 174.900 -0.871 0.000 1.287 620 G CA -1.090 43.421 45.100 -0.982 0.000 0.846 620 G HN 0.267 nan 8.290 nan 0.000 0.508 621 L N 0.089 120.947 121.223 -0.609 0.000 2.343 621 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 621 L C -0.370 176.332 176.870 -0.280 0.000 1.056 621 L CA -0.708 53.943 54.840 -0.314 0.000 0.804 621 L CB 1.251 43.250 42.059 -0.100 0.000 1.203 621 L HN 0.411 nan 8.230 nan 0.000 0.440 622 F N 0.652 120.647 119.950 0.075 0.000 2.399 622 F HA 0.174 4.701 4.527 -0.000 0.000 0.342 622 F C 0.645 176.530 175.800 0.142 0.000 1.106 622 F CA -0.521 57.531 58.000 0.087 0.000 1.196 622 F CB 0.885 39.953 39.000 0.113 0.000 1.163 622 F HN 0.560 nan 8.300 nan 0.000 0.547 623 D N 0.904 121.428 120.400 0.208 0.000 2.560 623 D HA 0.298 4.937 4.640 -0.000 0.000 0.277 623 D C 0.762 176.852 176.300 -0.350 0.000 1.194 623 D CA -0.604 53.365 54.000 -0.052 0.000 1.092 623 D CB 0.327 41.050 40.800 -0.129 0.000 1.169 623 D HN 0.379 nan 8.370 nan 0.000 0.607 624 R N -1.381 118.608 120.500 -0.852 0.000 2.237 624 R HA 0.006 4.346 4.340 -0.000 0.000 0.219 624 R C 1.620 177.742 176.300 -0.298 0.000 1.080 624 R CA 1.566 57.202 56.100 -0.773 0.000 0.995 624 R CB -0.415 29.360 30.300 -0.875 0.000 0.875 624 R HN 0.711 nan 8.270 nan 0.000 0.462 625 T N -1.563 112.869 114.554 -0.203 0.000 3.014 625 T HA 0.027 4.376 4.350 -0.000 0.000 0.250 625 T C 1.004 175.685 174.700 -0.033 0.000 1.060 625 T CA 0.370 62.408 62.100 -0.102 0.000 1.040 625 T CB 0.172 68.987 68.868 -0.089 0.000 0.971 625 T HN 0.233 nan 8.240 nan 0.000 0.497 626 N N -0.252 118.458 118.700 0.017 0.000 2.118 626 N HA 0.262 5.001 4.740 -0.000 0.000 0.226 626 N C 1.158 176.675 175.510 0.013 0.000 1.305 626 N CA -0.076 53.022 53.050 0.079 0.000 0.890 626 N CB -0.195 38.415 38.487 0.204 0.000 1.118 626 N HN 0.171 nan 8.380 nan 0.000 0.511 627 S N 0.414 116.116 115.700 0.003 0.000 2.382 627 S HA 0.182 4.652 4.470 -0.000 0.000 0.228 627 S C 0.570 175.057 174.600 -0.189 0.000 1.027 627 S CA 0.664 58.800 58.200 -0.106 0.000 0.991 627 S CB -0.094 63.160 63.200 0.091 0.000 0.823 627 S HN 0.399 nan 8.310 nan 0.000 0.469 628 I N 2.074 122.582 120.570 -0.103 0.000 2.517 628 I HA 0.405 4.575 4.170 -0.000 0.000 0.280 628 I C -0.469 175.611 176.117 -0.062 0.000 1.061 628 I CA -0.365 60.881 61.300 -0.090 0.000 1.091 628 I CB 1.382 39.342 38.000 -0.067 0.000 1.205 628 I HN 0.141 nan 8.210 nan 0.000 0.459 629 I N 2.427 122.961 120.570 -0.060 0.000 3.133 629 I HA 0.832 5.002 4.170 -0.000 0.000 0.311 629 I C -0.157 175.938 176.117 -0.035 0.000 1.072 629 I CA -0.436 60.845 61.300 -0.032 0.000 1.015 629 I CB 2.292 40.286 38.000 -0.009 0.000 1.233 629 I HN 0.517 nan 8.210 nan 0.000 0.473 630 S N 2.923 118.608 115.700 -0.026 0.000 2.677 630 S HA 0.817 5.287 4.470 -0.000 0.000 0.304 630 S C -1.080 173.511 174.600 -0.016 0.000 1.108 630 S CA -0.678 57.497 58.200 -0.041 0.000 0.944 630 S CB 2.096 65.269 63.200 -0.044 0.000 1.127 630 S HN 0.777 nan 8.310 nan 0.000 0.511 631 L N 1.624 122.826 121.223 -0.036 0.000 2.436 631 L HA 0.627 4.967 4.340 -0.000 0.000 0.268 631 L C -1.668 175.196 176.870 -0.010 0.000 0.974 631 L CA -0.274 54.560 54.840 -0.011 0.000 0.826 631 L CB 2.003 44.035 42.059 -0.045 0.000 1.291 631 L HN 0.918 nan 8.230 nan 0.000 0.406 632 D N 6.029 126.439 120.400 0.016 0.000 2.428 632 D HA 0.421 5.061 4.640 -0.000 0.000 0.221 632 D C -2.049 174.267 176.300 0.026 0.000 1.123 632 D CA -2.154 51.861 54.000 0.024 0.000 0.869 632 D CB 1.965 42.781 40.800 0.027 0.000 1.032 632 D HN 0.329 nan 8.370 nan 0.000 0.506 633 P HA -0.080 nan 4.420 nan 0.000 0.221 633 P C 1.507 178.819 177.300 0.020 0.000 1.150 633 P CA 0.137 63.247 63.100 0.016 0.000 0.800 633 P CB 0.565 32.280 31.700 0.026 0.000 0.787 634 L N 0.082 121.316 121.223 0.018 0.000 2.022 634 L HA -0.057 4.282 4.340 -0.000 0.000 0.204 634 L C 2.256 179.138 176.870 0.020 0.000 1.076 634 L CA 2.713 57.561 54.840 0.013 0.000 0.749 634 L CB -1.337 40.725 42.059 0.005 0.000 0.903 634 L HN 0.083 nan 8.230 nan 0.000 0.439 635 S N -0.749 114.964 115.700 0.022 0.000 2.383 635 S HA -0.168 4.302 4.470 -0.000 0.000 0.227 635 S C 0.855 175.474 174.600 0.032 0.000 1.026 635 S CA 1.119 59.333 58.200 0.023 0.000 0.981 635 S CB -0.139 63.074 63.200 0.021 0.000 0.818 635 S HN 0.584 nan 8.310 nan 0.000 0.472 636 E N 0.586 120.809 120.200 0.039 0.000 3.573 636 E HA -0.126 4.223 4.350 -0.000 0.000 0.322 636 E C -0.356 176.272 176.600 0.047 0.000 0.836 636 E CA 0.626 57.060 56.400 0.057 0.000 1.183 636 E CB -2.542 27.197 29.700 0.066 0.000 1.595 636 E HN 0.861 nan 8.360 nan 0.000 0.408 637 T N -1.184 113.388 114.554 0.030 0.000 2.909 637 T HA 0.635 4.985 4.350 -0.000 0.000 0.289 637 T C 0.324 175.025 174.700 0.002 0.000 1.005 637 T CA -0.686 61.422 62.100 0.013 0.000 1.084 637 T CB 1.548 70.423 68.868 0.012 0.000 0.975 637 T HN 0.154 nan 8.240 nan 0.000 0.509 638 L N 2.682 123.883 121.223 -0.036 0.000 2.325 638 L HA 0.663 5.002 4.340 -0.000 0.000 0.278 638 L C 0.743 177.594 176.870 -0.032 0.000 1.023 638 L CA -0.752 54.056 54.840 -0.054 0.000 0.811 638 L CB 2.126 44.075 42.059 -0.183 0.000 1.249 638 L HN 1.079 nan 8.230 nan 0.000 0.431 639 T N -1.289 113.255 114.554 -0.016 0.000 2.916 639 T HA 0.490 4.840 4.350 -0.000 0.000 0.292 639 T C -0.493 174.202 174.700 -0.008 0.000 1.055 639 T CA -0.754 61.343 62.100 -0.006 0.000 1.009 639 T CB 1.900 70.775 68.868 0.010 0.000 1.118 639 T HN 0.416 nan 8.240 nan 0.000 0.497 640 S N 0.924 116.620 115.700 -0.006 0.000 2.462 640 S HA 0.592 5.062 4.470 -0.000 0.000 0.294 640 S C -0.383 174.212 174.600 -0.008 0.000 1.144 640 S CA -0.987 57.206 58.200 -0.012 0.000 1.088 640 S CB -0.245 62.945 63.200 -0.017 0.000 1.009 640 S HN 0.635 nan 8.310 nan 0.000 0.484 641 I N 6.471 127.033 120.570 -0.013 0.000 2.347 641 I HA 0.318 4.487 4.170 -0.000 0.000 0.283 641 I C -2.362 173.742 176.117 -0.023 0.000 1.058 641 I CA -2.357 58.939 61.300 -0.007 0.000 1.202 641 I CB 1.252 39.250 38.000 -0.003 0.000 1.386 641 I HN 0.420 nan 8.210 nan 0.000 0.475 642 P HA 0.216 nan 4.420 nan 0.000 0.276 642 P C -0.242 177.034 177.300 -0.041 0.000 1.230 642 P CA -0.113 62.956 63.100 -0.053 0.000 0.776 642 P CB 0.645 32.311 31.700 -0.057 0.000 0.888 643 I N 1.914 122.454 120.570 -0.050 0.000 2.379 643 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 643 I C 1.168 177.280 176.117 -0.010 0.000 1.063 643 I CA -0.363 60.944 61.300 0.012 0.000 1.351 643 I CB 0.339 38.416 38.000 0.129 0.000 1.410 643 I HN 0.387 nan 8.210 nan 0.000 0.505 644 S N 6.131 121.838 115.700 0.012 0.000 2.576 644 S HA 0.137 4.607 4.470 -0.000 0.000 0.272 644 S C 1.199 175.823 174.600 0.040 0.000 1.352 644 S CA -0.408 57.793 58.200 0.001 0.000 1.021 644 S CB 0.997 64.197 63.200 -0.000 0.000 0.887 644 S HN 0.651 nan 8.310 nan 0.000 0.542 645 R N 1.124 121.627 120.500 0.005 0.000 2.105 645 R HA -0.093 4.246 4.340 -0.000 0.000 0.239 645 R C 2.662 178.983 176.300 0.036 0.000 1.135 645 R CA 1.626 57.737 56.100 0.018 0.000 0.967 645 R CB -0.358 29.925 30.300 -0.027 0.000 0.861 645 R HN 0.650 nan 8.270 nan 0.000 0.442 646 R N 0.763 121.276 120.500 0.023 0.000 2.113 646 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 646 R C 2.464 178.816 176.300 0.086 0.000 1.129 646 R CA 1.980 58.099 56.100 0.031 0.000 0.915 646 R CB -0.569 29.750 30.300 0.032 0.000 0.837 646 R HN 0.286 nan 8.270 nan 0.000 0.430 647 I N 0.026 120.653 120.570 0.095 0.000 2.286 647 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 647 I C 2.103 178.327 176.117 0.178 0.000 1.115 647 I CA 1.371 62.736 61.300 0.108 0.000 1.392 647 I CB -0.361 37.628 38.000 -0.019 0.000 1.065 647 I HN 0.451 nan 8.210 nan 0.000 0.418 648 W N 2.304 123.601 121.300 -0.006 0.000 2.335 648 W HA -0.254 4.406 4.660 -0.000 0.000 0.311 648 W C 2.077 178.600 176.519 0.006 0.000 1.213 648 W CA 2.130 59.484 57.345 0.015 0.000 1.274 648 W CB -0.144 29.317 29.460 0.002 0.000 1.148 648 W HN 0.285 nan 8.180 nan 0.000 0.498 649 E N -0.394 119.789 120.200 -0.029 0.000 2.060 649 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 649 E C 1.626 178.163 176.600 -0.105 0.000 0.974 649 E CA 1.192 57.386 56.400 -0.344 0.000 0.808 649 E CB -0.295 28.920 29.700 -0.808 0.000 0.768 649 E HN 0.095 nan 8.360 nan 0.000 0.453 650 D N -0.505 119.880 120.400 -0.025 0.000 2.333 650 D HA 0.024 4.663 4.640 -0.000 0.000 0.208 650 D C 0.347 176.606 176.300 -0.069 0.000 0.984 650 D CA 0.672 54.665 54.000 -0.013 0.000 0.873 650 D CB 0.244 41.060 40.800 0.026 0.000 0.935 650 D HN 0.183 nan 8.370 nan 0.000 0.521 651 H N 0.091 119.145 119.070 -0.027 0.000 2.529 651 H HA 0.272 4.828 4.556 -0.000 0.000 0.348 651 H C 0.084 175.386 175.328 -0.043 0.000 1.152 651 H CA -0.528 55.507 56.048 -0.021 0.000 1.202 651 H CB 1.889 31.646 29.762 -0.007 0.000 1.562 651 H HN -0.118 nan 8.280 nan 0.000 0.515 652 S N 3.319 119.054 115.700 0.057 0.000 2.405 652 S HA 0.278 4.748 4.470 -0.000 0.000 0.291 652 S C -0.161 174.449 174.600 0.017 0.000 1.137 652 S CA -0.744 57.463 58.200 0.011 0.000 1.061 652 S CB -0.349 62.850 63.200 -0.001 0.000 1.001 652 S HN 0.401 nan 8.310 nan 0.000 0.507 653 L N 3.359 124.566 121.223 -0.026 0.000 2.342 653 L HA 0.986 5.326 4.340 -0.000 0.000 0.271 653 L C -0.810 176.038 176.870 -0.037 0.000 1.008 653 L CA -0.833 53.986 54.840 -0.034 0.000 0.818 653 L CB 2.160 44.196 42.059 -0.038 0.000 1.296 653 L HN 0.843 nan 8.230 nan 0.000 0.427 654 M N 5.324 124.907 119.600 -0.029 0.000 2.480 654 M HA 0.347 4.827 4.480 -0.000 0.000 0.186 654 M C -2.095 174.196 176.300 -0.015 0.000 0.948 654 M CA -0.091 55.218 55.300 0.016 0.000 0.857 654 M CB 1.045 33.675 32.600 0.050 0.000 2.723 654 M HN 0.527 nan 8.290 nan 0.000 0.410 655 L N 4.063 125.267 121.223 -0.031 0.000 2.648 655 L HA 0.781 5.121 4.340 -0.000 0.000 0.238 655 L C 0.073 177.087 176.870 0.241 0.000 1.316 655 L CA -0.292 54.428 54.840 -0.200 0.000 1.241 655 L CB -0.460 41.387 42.059 -0.354 0.000 1.499 655 L HN 0.788 nan 8.230 nan 0.000 0.411 656 A N -0.421 122.588 122.820 0.316 0.000 2.393 656 A HA 0.686 5.006 4.320 -0.000 0.000 0.306 656 A C 0.875 178.463 177.584 0.008 0.000 1.050 656 A CA 0.081 52.292 52.037 0.290 0.000 0.724 656 A CB 1.530 20.697 19.000 0.278 0.000 1.248 656 A HN 0.538 nan 8.150 nan 0.000 0.424 657 G N 0.666 109.158 108.800 -0.514 0.000 2.187 657 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.261 657 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.261 657 G C 0.189 174.753 174.900 -0.560 0.000 1.000 657 G CA 1.204 45.438 45.100 -1.444 0.000 0.718 657 G HN 1.935 nan 8.290 nan 0.000 0.519 658 F N 0.136 119.905 119.950 -0.300 0.000 2.291 658 F HA 0.867 5.394 4.527 -0.000 0.000 0.305 658 F C 0.524 176.285 175.800 -0.064 0.000 1.171 658 F CA -0.513 57.415 58.000 -0.121 0.000 1.090 658 F CB 0.753 39.715 39.000 -0.063 0.000 1.436 658 F HN 0.141 nan 8.300 nan 0.000 0.509 659 S N -0.253 115.486 115.700 0.064 0.000 2.638 659 S HA 0.675 5.144 4.470 -0.000 0.000 0.274 659 S C -1.298 173.402 174.600 0.167 0.000 1.157 659 S CA -0.931 57.251 58.200 -0.031 0.000 0.826 659 S CB 1.828 65.067 63.200 0.065 0.000 1.139 659 S HN 0.617 nan 8.310 nan 0.000 0.474 660 L N 1.815 123.094 121.223 0.093 0.000 2.365 660 L HA 0.825 5.165 4.340 -0.000 0.000 0.273 660 L C -1.130 175.812 176.870 0.121 0.000 1.000 660 L CA -1.024 53.898 54.840 0.136 0.000 0.819 660 L CB 1.808 43.928 42.059 0.102 0.000 1.284 660 L HN 0.584 nan 8.230 nan 0.000 0.418 661 V N -0.472 119.531 119.914 0.149 0.000 2.569 661 V HA 0.577 4.697 4.120 -0.000 0.000 0.301 661 V C -0.477 175.711 176.094 0.157 0.000 1.044 661 V CA -0.518 61.864 62.300 0.137 0.000 0.874 661 V CB 1.550 33.447 31.823 0.125 0.000 1.002 661 V HN 0.729 nan 8.190 nan 0.000 0.424 662 S N 2.483 118.255 115.700 0.120 0.000 2.456 662 S HA 0.556 5.025 4.470 -0.000 0.000 0.316 662 S C 0.697 175.358 174.600 0.102 0.000 1.089 662 S CA 0.389 58.659 58.200 0.118 0.000 1.101 662 S CB 1.841 65.091 63.200 0.084 0.000 0.995 662 S HN 1.148 nan 8.310 nan 0.000 0.468 663 T N 2.454 117.073 114.554 0.108 0.000 3.045 663 T HA 0.245 4.595 4.350 -0.000 0.000 0.239 663 T C 0.373 175.114 174.700 0.068 0.000 1.008 663 T CA 0.779 62.924 62.100 0.075 0.000 1.143 663 T CB -0.206 68.694 68.868 0.053 0.000 0.894 663 T HN 0.761 nan 8.240 nan 0.000 0.451 664 S N 2.518 118.262 115.700 0.074 0.000 2.756 664 S HA 0.591 5.061 4.470 -0.000 0.000 0.303 664 S C -0.101 174.533 174.600 0.057 0.000 1.135 664 S CA -1.047 57.187 58.200 0.057 0.000 1.066 664 S CB 0.761 63.989 63.200 0.045 0.000 1.008 664 S HN 0.277 nan 8.310 nan 0.000 0.482 665 M N 2.670 122.303 119.600 0.055 0.000 2.234 665 M HA 0.118 4.598 4.480 -0.000 0.000 0.326 665 M C 1.029 177.366 176.300 0.061 0.000 1.077 665 M CA 0.728 56.064 55.300 0.060 0.000 1.052 665 M CB -0.402 32.231 32.600 0.055 0.000 1.607 665 M HN 0.985 nan 8.290 nan 0.000 0.445 666 G N 2.735 111.590 108.800 0.091 0.000 4.649 666 G HA2 0.358 4.317 3.960 -0.000 0.000 0.312 666 G HA3 0.358 4.317 3.960 -0.000 0.000 0.312 666 G C -0.276 174.691 174.900 0.112 0.000 1.403 666 G CA -0.298 44.871 45.100 0.116 0.000 1.248 666 G HN 0.657 nan 8.290 nan 0.000 0.581 667 T N 1.634 116.229 114.554 0.068 0.000 2.771 667 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 667 T C -0.098 174.613 174.700 0.019 0.000 0.982 667 T CA -0.052 62.066 62.100 0.031 0.000 0.978 667 T CB 1.334 70.220 68.868 0.030 0.000 0.930 667 T HN 0.162 nan 8.240 nan 0.000 0.447 668 I N 3.380 123.915 120.570 -0.058 0.000 2.465 668 I HA 0.338 4.507 4.170 -0.000 0.000 0.291 668 I C -0.101 175.945 176.117 -0.119 0.000 1.014 668 I CA -0.924 60.361 61.300 -0.024 0.000 1.093 668 I CB 1.604 39.591 38.000 -0.021 0.000 1.267 668 I HN 0.510 nan 8.210 nan 0.000 0.431 669 H N 6.749 125.847 119.070 0.047 0.000 2.476 669 H HA 0.462 5.018 4.556 -0.000 0.000 0.328 669 H C -0.674 174.700 175.328 0.076 0.000 1.073 669 H CA -0.506 55.573 56.048 0.052 0.000 1.229 669 H CB 2.148 31.940 29.762 0.049 0.000 1.432 669 H HN 0.372 nan 8.280 nan 0.000 0.477 670 I N 6.044 126.701 120.570 0.145 0.000 2.297 670 I HA 0.213 4.382 4.170 -0.000 0.000 0.291 670 I C 0.560 176.765 176.117 0.145 0.000 1.033 670 I CA -0.123 61.267 61.300 0.150 0.000 1.253 670 I CB 0.281 38.289 38.000 0.014 0.000 1.396 670 I HN 0.384 nan 8.210 nan 0.000 0.476 671 I N 2.658 123.349 120.570 0.202 0.000 3.042 671 I HA 0.998 5.167 4.170 -0.000 0.000 0.310 671 I C 0.443 176.647 176.117 0.144 0.000 1.117 671 I CA -0.782 60.599 61.300 0.135 0.000 1.003 671 I CB 1.938 40.000 38.000 0.104 0.000 1.228 671 I HN 0.688 nan 8.210 nan 0.000 0.443 672 G N 1.445 110.265 108.800 0.034 0.000 2.806 672 G HA2 0.358 4.318 3.960 -0.000 0.000 0.236 672 G HA3 0.358 4.318 3.960 -0.000 0.000 0.236 672 G C 0.196 175.137 174.900 0.069 0.000 1.387 672 G CA 0.070 45.168 45.100 -0.004 0.000 0.884 672 G HN 2.801 nan 8.290 nan 0.000 0.560 673 G N -2.517 106.299 108.800 0.027 0.000 2.541 673 G HA2 0.607 4.567 3.960 -0.000 0.000 0.686 673 G HA3 0.607 4.567 3.960 -0.000 0.000 0.686 673 G C 0.813 175.725 174.900 0.020 0.000 1.286 673 G CA 0.652 45.767 45.100 0.025 0.000 0.894 673 G HN 3.165 nan 8.290 nan 0.000 0.575 674 G N -1.581 107.243 108.800 0.039 0.000 2.359 674 G HA2 0.795 4.755 3.960 -0.000 0.000 0.293 674 G HA3 0.795 4.755 3.960 -0.000 0.000 0.293 674 G C -0.559 174.406 174.900 0.108 0.000 1.300 674 G CA 1.159 46.295 45.100 0.059 0.000 0.888 674 G HN 2.966 nan 8.290 nan 0.000 0.541 675 A N -1.097 121.786 122.820 0.106 0.000 2.573 675 A HA 0.727 5.047 4.320 -0.000 0.000 0.299 675 A C -0.408 177.232 177.584 0.094 0.000 1.060 675 A CA 0.214 52.336 52.037 0.142 0.000 0.736 675 A CB 0.992 20.111 19.000 0.198 0.000 1.280 675 A HN 1.545 nan 8.150 nan 0.000 0.401 676 T N 1.962 116.563 114.554 0.079 0.000 2.743 676 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 676 T C 0.451 175.191 174.700 0.067 0.000 0.908 676 T CA 0.263 62.381 62.100 0.031 0.000 1.092 676 T CB -0.613 68.248 68.868 -0.011 0.000 0.882 676 T HN 0.638 nan 8.240 nan 0.000 0.531 677 C N 5.673 124.983 119.300 0.016 0.000 3.506 677 C HA 0.150 4.610 4.460 -0.000 0.000 0.578 677 C C 0.895 175.826 174.990 -0.098 0.000 1.153 677 C CA -0.659 58.353 59.018 -0.011 0.000 1.248 677 C CB -2.729 24.870 27.740 -0.236 0.000 1.532 677 C HN 1.037 nan 8.230 nan 0.000 0.646 678 Y N 0.275 120.471 120.300 -0.173 0.000 3.389 678 Y HA -0.260 4.289 4.550 -0.000 0.000 0.213 678 Y C 1.214 176.711 175.900 -0.672 0.000 1.272 678 Y CA 1.382 59.270 58.100 -0.354 0.000 1.444 678 Y CB -1.200 37.110 38.460 -0.249 0.000 1.445 678 Y HN 0.872 nan 8.280 nan 0.000 0.583 679 G N -0.161 108.359 108.800 -0.468 0.000 2.168 679 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 679 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 679 G C 0.531 175.177 174.900 -0.423 0.000 0.997 679 G CA 0.312 45.167 45.100 -0.409 0.000 0.708 679 G HN 0.757 nan 8.290 nan 0.000 0.520 680 F N 0.853 120.579 119.950 -0.373 0.000 2.727 680 F HA 0.439 4.966 4.527 -0.000 0.000 0.302 680 F C 1.657 177.282 175.800 -0.292 0.000 1.097 680 F CA 0.174 57.773 58.000 -0.670 0.000 1.330 680 F CB 0.705 39.387 39.000 -0.530 0.000 1.084 680 F HN 0.705 nan 8.300 nan 0.000 0.578 681 G N 0.798 109.569 108.800 -0.049 0.000 2.515 681 G HA2 0.003 3.962 3.960 -0.000 0.000 0.686 681 G HA3 0.003 3.962 3.960 -0.000 0.000 0.686 681 G C -0.841 174.042 174.900 -0.028 0.000 1.274 681 G CA -0.705 44.388 45.100 -0.011 0.000 0.874 681 G HN 0.267 nan 8.290 nan 0.000 0.631 682 S N -1.109 114.581 115.700 -0.017 0.000 2.585 682 S HA 0.817 5.287 4.470 -0.000 0.000 0.277 682 S C 0.046 174.645 174.600 -0.003 0.000 1.241 682 S CA -0.213 57.981 58.200 -0.010 0.000 1.041 682 S CB 1.965 65.157 63.200 -0.014 0.000 0.987 682 S HN 1.675 nan 8.310 nan 0.000 0.512 683 V N 2.178 122.097 119.914 0.009 0.000 2.628 683 V HA 0.586 4.706 4.120 -0.000 0.000 0.306 683 V C -0.085 176.020 176.094 0.017 0.000 1.045 683 V CA -0.688 61.618 62.300 0.010 0.000 0.905 683 V CB 2.018 33.849 31.823 0.013 0.000 0.997 683 V HN 1.044 nan 8.190 nan 0.000 0.436 684 T N 3.413 117.973 114.554 0.010 0.000 2.833 684 T HA 0.252 4.602 4.350 -0.000 0.000 0.297 684 T C 0.089 174.795 174.700 0.011 0.000 1.015 684 T CA -0.361 61.745 62.100 0.010 0.000 0.963 684 T CB 0.315 69.184 68.868 0.002 0.000 0.955 684 T HN 0.734 nan 8.240 nan 0.000 0.449 685 N N 3.088 121.795 118.700 0.012 0.000 2.315 685 N HA -0.049 4.690 4.740 -0.000 0.000 0.270 685 N C 1.217 176.734 175.510 0.012 0.000 1.329 685 N CA -0.126 52.926 53.050 0.005 0.000 0.860 685 N CB 0.628 39.115 38.487 -0.000 0.000 1.095 685 N HN 0.284 nan 8.380 nan 0.000 0.487 686 V N 3.428 123.357 119.914 0.025 0.000 2.379 686 V HA 0.058 4.178 4.120 -0.000 0.000 0.245 686 V C 1.095 177.213 176.094 0.040 0.000 1.044 686 V CA 1.779 64.108 62.300 0.049 0.000 1.036 686 V CB -0.722 31.169 31.823 0.114 0.000 0.664 686 V HN 1.030 nan 8.190 nan 0.000 0.453 687 G N -0.885 107.930 108.800 0.025 0.000 2.521 687 G HA2 0.140 4.100 3.960 -0.000 0.000 0.589 687 G HA3 0.140 4.100 3.960 -0.000 0.000 0.589 687 G C -1.384 173.525 174.900 0.014 0.000 1.501 687 G CA -0.712 44.407 45.100 0.031 0.000 0.887 687 G HN 0.188 nan 8.290 nan 0.000 0.654 688 L N 0.644 121.876 121.223 0.014 0.000 2.303 688 L HA 0.866 5.206 4.340 -0.000 0.000 0.256 688 L C -0.041 176.809 176.870 -0.033 0.000 1.034 688 L CA -1.151 53.677 54.840 -0.021 0.000 0.832 688 L CB 2.786 44.814 42.059 -0.051 0.000 1.403 688 L HN 0.641 nan 8.230 nan 0.000 0.419 689 K N 1.666 122.009 120.400 -0.095 0.000 2.535 689 K HA 0.468 4.787 4.320 -0.000 0.000 0.250 689 K C -2.000 174.513 176.600 -0.145 0.000 0.948 689 K CA -0.623 55.530 56.287 -0.224 0.000 0.796 689 K CB 2.342 34.708 32.500 -0.223 0.000 1.216 689 K HN 0.418 nan 8.250 nan 0.000 0.432 690 L N 7.203 128.340 121.223 -0.144 0.000 2.280 690 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 690 L C -0.691 176.177 176.870 -0.002 0.000 1.023 690 L CA -0.324 54.485 54.840 -0.051 0.000 0.819 690 L CB 0.778 42.806 42.059 -0.051 0.000 1.212 690 L HN 0.628 nan 8.230 nan 0.000 0.420 691 I N 2.004 122.607 120.570 0.055 0.000 3.206 691 I HA 0.919 5.088 4.170 -0.000 0.000 0.313 691 I C -0.019 176.177 176.117 0.132 0.000 1.103 691 I CA -1.125 60.227 61.300 0.086 0.000 0.985 691 I CB 1.830 39.830 38.000 0.000 0.000 1.240 691 I HN 0.619 nan 8.210 nan 0.000 0.464 692 A N 2.872 125.700 122.820 0.014 0.000 2.366 692 A HA 0.548 4.868 4.320 -0.000 0.000 0.249 692 A C -0.242 177.224 177.584 -0.197 0.000 1.084 692 A CA -0.227 51.652 52.037 -0.263 0.000 0.794 692 A CB 0.067 18.913 19.000 -0.257 0.000 1.034 692 A HN 0.643 nan 8.150 nan 0.000 0.491 693 I N 1.663 122.072 120.570 -0.269 0.000 2.304 693 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 693 I C 0.912 176.946 176.117 -0.138 0.000 1.018 693 I CA -0.102 61.105 61.300 -0.156 0.000 1.260 693 I CB 1.240 39.160 38.000 -0.132 0.000 1.390 693 I HN 0.792 nan 8.210 nan 0.000 0.475 694 A N 0.000 122.764 122.820 -0.094 0.000 2.254 694 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 694 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 694 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 694 A HN 0.000 nan 8.150 nan 0.000 0.486