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 1rp5_1_A DATA FIRST_RESID 64 DATA SEQUENCE KVHQTTRTVP AKRGTIYDRN GVPIAEDATS YNVYAVIDEN YKSATGKILY DATA SEQUENCE VEKTQFNKVA EVFHKYLDME ESYVREQLSQ PNLKQVSFGA KGNGITYANM DATA SEQUENCE MSIKKELETA EVKGIDFTTS PNRSYPNGQF ASSFIGLAQL HENEDGSKSL DATA SEQUENCE LGTSGMESSL NSILAGTDGI ITYEKDRLGN IVPGTEQVSQ QTVDGKDVYT DATA SEQUENCE TISSPLQSFM ETQMDAFQEK VKGKYMTATL VSAKTGEILA TTQRPTFDAD DATA SEQUENCE TKEGITEDFV WRDILYQSNY EPGSTMKVMM LAAAIDNNTF PGGEVFNSSE DATA SEQUENCE LKIADATIRD WDVNEGLTGG RMMTFSQGFA HSSNVGMTLL EQKMGDATWL DATA SEQUENCE DYLNRFKFGV PTRFGLTDEY AGQLPADNIV NIAMSAFGQG ISVTQTQMLR DATA SEQUENCE AFTAIANDGV MLEPKFISAL YDPNDQSVRK SQKEIVGNPV SKEAASVTRD DATA SEQUENCE HMVMVGTDPT YGTMYNHSTG KATVNVPGQN VALKSGTAEI ADEKNGGYLT DATA SEQUENCE GSTNNIFSVV SMHPAENPDF ILYVTVQQPE HYSGIQLGEF ANPILERASA DATA SEQUENCE MKESLNLQTT AKALEQVSQQ SPYPMPSVKD ISPGDLAEEL RRNLVQPIVV DATA SEQUENCE GTGTKIKNSS AEEGKNLAPN QQVLILSDKA EEVPDMYGWT KETAETFAKW DATA SEQUENCE LNIELEFEGS GSTVQKQDVR ANTAIKDIKK IKLTLGD 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 64 K HA 0.000 nan 4.320 nan 0.000 0.191 64 K C 0.000 176.632 176.600 0.054 0.000 0.988 64 K CA 0.000 56.307 56.287 0.034 0.000 0.838 64 K CB 0.000 32.518 32.500 0.029 0.000 1.064 65 V N -1.225 118.727 119.914 0.063 0.000 3.181 65 V HA 0.923 5.043 4.120 -0.000 0.000 0.308 65 V C -0.580 175.587 176.094 0.123 0.000 1.214 65 V CA -0.524 61.830 62.300 0.089 0.000 1.053 65 V CB 1.943 33.784 31.823 0.030 0.000 1.069 65 V HN 1.773 nan 8.190 nan 0.000 0.441 66 H N 0.817 119.875 119.070 -0.019 0.000 2.928 66 H HA 0.657 5.212 4.556 -0.000 0.000 0.371 66 H C -1.355 173.934 175.328 -0.065 0.000 1.186 66 H CA -0.570 55.457 56.048 -0.036 0.000 1.134 66 H CB 2.211 31.951 29.762 -0.036 0.000 1.824 66 H HN 0.946 nan 8.280 nan 0.000 0.554 67 Q N 1.386 121.052 119.800 -0.222 0.000 2.235 67 Q HA 0.591 4.931 4.340 -0.000 0.000 0.256 67 Q C -0.679 175.135 176.000 -0.311 0.000 0.951 67 Q CA -0.859 54.755 55.803 -0.315 0.000 0.890 67 Q CB 2.456 31.102 28.738 -0.154 0.000 1.279 67 Q HN 0.833 nan 8.270 nan 0.000 0.444 68 T N -1.376 112.886 114.554 -0.485 0.000 2.633 68 T HA 0.795 5.145 4.350 -0.000 0.000 0.262 68 T C -0.020 174.472 174.700 -0.346 0.000 0.920 68 T CA -0.057 61.815 62.100 -0.380 0.000 1.062 68 T CB 1.355 69.960 68.868 -0.438 0.000 1.390 68 T HN 0.895 nan 8.240 nan 0.000 0.549 69 T N -3.426 111.013 114.554 -0.192 0.000 2.787 69 T HA 0.917 5.267 4.350 -0.000 0.000 0.297 69 T C -0.871 173.914 174.700 0.141 0.000 1.221 69 T CA -0.602 61.495 62.100 -0.005 0.000 1.006 69 T CB 1.203 70.079 68.868 0.013 0.000 1.328 69 T HN 1.403 nan 8.240 nan 0.000 0.509 70 R N 0.323 120.928 120.500 0.174 0.000 2.563 70 R HA 0.775 5.115 4.340 -0.000 0.000 0.262 70 R C -0.118 176.248 176.300 0.109 0.000 1.128 70 R CA -0.500 55.699 56.100 0.165 0.000 0.969 70 R CB -0.060 30.381 30.300 0.235 0.000 1.251 70 R HN 1.508 nan 8.270 nan 0.000 0.442 71 T N -0.605 113.996 114.554 0.078 0.000 2.910 71 T HA 0.606 4.956 4.350 -0.000 0.000 0.293 71 T C 0.080 174.817 174.700 0.061 0.000 1.015 71 T CA -0.499 61.639 62.100 0.062 0.000 1.094 71 T CB 1.480 70.378 68.868 0.050 0.000 0.968 71 T HN 0.732 nan 8.240 nan 0.000 0.521 72 V N 4.891 124.841 119.914 0.059 0.000 2.334 72 V HA 0.341 4.460 4.120 -0.000 0.000 0.281 72 V C -2.276 173.850 176.094 0.052 0.000 1.016 72 V CA -2.199 60.139 62.300 0.062 0.000 0.832 72 V CB 1.048 32.910 31.823 0.064 0.000 0.999 72 V HN 0.818 nan 8.190 nan 0.000 0.439 73 P HA 0.087 nan 4.420 nan 0.000 0.260 73 P C -0.299 177.020 177.300 0.031 0.000 1.172 73 P CA 0.542 63.664 63.100 0.036 0.000 0.760 73 P CB 0.495 32.214 31.700 0.031 0.000 0.773 74 A N 3.792 126.624 122.820 0.019 0.000 2.293 74 A HA 0.327 4.647 4.320 -0.000 0.000 0.302 74 A C 0.186 177.768 177.584 -0.004 0.000 1.119 74 A CA -0.724 51.320 52.037 0.011 0.000 0.823 74 A CB 0.376 19.382 19.000 0.010 0.000 1.097 74 A HN 0.451 nan 8.150 nan 0.000 0.491 75 K N 1.901 122.293 120.400 -0.013 0.000 2.402 75 K HA 0.043 4.363 4.320 -0.000 0.000 0.285 75 K C 0.190 176.770 176.600 -0.033 0.000 1.054 75 K CA -0.098 56.171 56.287 -0.031 0.000 1.001 75 K CB 0.159 32.636 32.500 -0.038 0.000 0.946 75 K HN 0.717 nan 8.250 nan 0.000 0.473 76 R N 3.216 123.690 120.500 -0.044 0.000 2.489 76 R HA 0.051 4.391 4.340 -0.000 0.000 0.287 76 R C 0.243 176.503 176.300 -0.068 0.000 1.053 76 R CA 0.075 56.146 56.100 -0.048 0.000 1.036 76 R CB 0.474 30.742 30.300 -0.054 0.000 0.966 76 R HN 0.850 nan 8.270 nan 0.000 0.432 77 G N 2.321 111.086 108.800 -0.057 0.000 2.732 77 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.244 77 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.244 77 G C -0.554 174.249 174.900 -0.162 0.000 1.226 77 G CA -0.270 44.786 45.100 -0.074 0.000 0.860 77 G HN 0.586 nan 8.290 nan 0.000 0.583 78 T N 0.281 114.671 114.554 -0.274 0.000 2.907 78 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 78 T C 0.339 174.683 174.700 -0.595 0.000 1.004 78 T CA -0.091 61.700 62.100 -0.516 0.000 1.063 78 T CB 1.106 69.452 68.868 -0.870 0.000 0.992 78 T HN 0.283 nan 8.240 nan 0.000 0.483 79 I N 3.483 123.765 120.570 -0.480 0.000 2.306 79 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 79 I C -0.824 175.088 176.117 -0.341 0.000 1.036 79 I CA -0.713 60.408 61.300 -0.298 0.000 1.221 79 I CB 0.266 38.204 38.000 -0.103 0.000 1.385 79 I HN 0.527 nan 8.210 nan 0.000 0.472 80 Y N 4.324 124.483 120.300 -0.236 0.000 2.320 80 Y HA 0.180 4.730 4.550 -0.000 0.000 0.324 80 Y C 0.846 176.693 175.900 -0.089 0.000 1.190 80 Y CA -1.138 56.785 58.100 -0.294 0.000 1.215 80 Y CB 0.570 38.562 38.460 -0.780 0.000 1.221 80 Y HN 0.559 nan 8.280 nan 0.000 0.486 81 D N 2.108 122.621 120.400 0.188 0.000 2.354 81 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 81 D C 1.118 177.561 176.300 0.239 0.000 1.250 81 D CA -0.368 53.769 54.000 0.228 0.000 0.911 81 D CB 0.603 41.539 40.800 0.228 0.000 1.163 81 D HN 0.800 nan 8.370 nan 0.000 0.456 82 R N 0.410 121.057 120.500 0.245 0.000 2.316 82 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 82 R C 0.408 176.845 176.300 0.228 0.000 1.137 82 R CA 1.138 57.385 56.100 0.245 0.000 1.012 82 R CB -0.427 29.990 30.300 0.195 0.000 0.859 82 R HN 0.299 nan 8.270 nan 0.000 0.474 83 N N -0.576 118.236 118.700 0.186 0.000 2.197 83 N HA 0.112 4.852 4.740 -0.000 0.000 0.228 83 N C 0.203 175.762 175.510 0.082 0.000 1.212 83 N CA 0.732 53.860 53.050 0.130 0.000 0.883 83 N CB 1.751 40.290 38.487 0.086 0.000 1.107 83 N HN 0.513 nan 8.380 nan 0.000 0.519 84 G N 0.145 108.980 108.800 0.057 0.000 2.179 84 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 84 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 84 G C -0.038 174.756 174.900 -0.178 0.000 0.990 84 G CA -0.099 44.855 45.100 -0.243 0.000 0.646 84 G HN 0.125 nan 8.290 nan 0.000 0.517 85 V N 2.102 122.029 119.914 0.023 0.000 2.439 85 V HA 0.347 4.467 4.120 -0.000 0.000 0.271 85 V C -1.485 174.697 176.094 0.147 0.000 1.040 85 V CA -1.326 61.013 62.300 0.066 0.000 1.002 85 V CB 0.947 32.807 31.823 0.060 0.000 1.000 85 V HN 0.112 nan 8.190 nan 0.000 0.477 86 P HA 0.125 nan 4.420 nan 0.000 0.262 86 P C 0.504 177.757 177.300 -0.077 0.000 1.182 86 P CA 0.590 63.742 63.100 0.086 0.000 0.761 86 P CB 0.643 32.371 31.700 0.047 0.000 0.795 87 I N 1.989 122.482 120.570 -0.129 0.000 3.194 87 I HA 0.211 4.381 4.170 -0.000 0.000 0.271 87 I C 0.683 176.723 176.117 -0.129 0.000 1.150 87 I CA 0.419 61.616 61.300 -0.173 0.000 1.440 87 I CB 0.246 38.226 38.000 -0.032 0.000 1.276 87 I HN 0.260 nan 8.210 nan 0.000 0.457 88 A N 1.903 124.609 122.820 -0.189 0.000 2.414 88 A HA 0.610 4.930 4.320 -0.000 0.000 0.286 88 A C -0.704 176.656 177.584 -0.373 0.000 1.073 88 A CA -0.438 51.376 52.037 -0.372 0.000 0.727 88 A CB 0.732 19.565 19.000 -0.277 0.000 1.215 88 A HN 0.284 nan 8.150 nan 0.000 0.430 89 E N 1.532 121.508 120.200 -0.373 0.000 2.410 89 E HA 0.526 4.876 4.350 -0.000 0.000 0.269 89 E C -0.982 175.472 176.600 -0.242 0.000 0.937 89 E CA -0.816 55.415 56.400 -0.283 0.000 0.793 89 E CB 1.270 30.846 29.700 -0.207 0.000 1.314 89 E HN 0.459 nan 8.360 nan 0.000 0.447 90 D N -0.391 119.903 120.400 -0.178 0.000 2.423 90 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 90 D C -0.673 175.553 176.300 -0.125 0.000 1.142 90 D CA 0.430 54.345 54.000 -0.141 0.000 0.884 90 D CB 0.853 41.587 40.800 -0.110 0.000 1.199 90 D HN 0.589 nan 8.370 nan 0.000 0.438 91 A N 2.377 125.126 122.820 -0.118 0.000 3.019 91 A HA 0.230 4.549 4.320 -0.000 0.000 0.202 91 A C -0.031 177.483 177.584 -0.117 0.000 0.924 91 A CA -0.605 51.371 52.037 -0.102 0.000 1.156 91 A CB -0.034 18.910 19.000 -0.094 0.000 1.265 91 A HN 0.473 nan 8.150 nan 0.000 0.526 92 T N 1.918 116.384 114.554 -0.146 0.000 2.918 92 T HA 0.524 4.874 4.350 -0.000 0.000 0.302 92 T C 0.686 175.177 174.700 -0.349 0.000 1.045 92 T CA 0.696 62.660 62.100 -0.227 0.000 1.114 92 T CB 1.087 69.818 68.868 -0.229 0.000 0.965 92 T HN 1.025 nan 8.240 nan 0.000 0.540 93 S N 0.883 116.298 115.700 -0.476 0.000 2.732 93 S HA 0.783 5.253 4.470 -0.000 0.000 0.293 93 S C -1.820 172.293 174.600 -0.812 0.000 1.159 93 S CA -0.988 56.890 58.200 -0.537 0.000 0.847 93 S CB 1.032 64.117 63.200 -0.193 0.000 1.169 93 S HN 0.577 nan 8.310 nan 0.000 0.501 94 Y N -0.099 120.235 120.300 0.056 0.000 2.570 94 Y HA 0.607 5.157 4.550 -0.000 0.000 0.345 94 Y C -0.175 175.838 175.900 0.188 0.000 1.014 94 Y CA -1.071 57.097 58.100 0.113 0.000 1.063 94 Y CB 1.708 40.197 38.460 0.047 0.000 1.272 94 Y HN 0.646 nan 8.280 nan 0.000 0.477 95 N N 0.762 119.713 118.700 0.417 0.000 2.346 95 N HA 0.384 5.123 4.740 -0.000 0.000 0.289 95 N C -1.516 174.216 175.510 0.371 0.000 1.027 95 N CA -0.515 52.724 53.050 0.315 0.000 0.864 95 N CB 2.938 41.534 38.487 0.182 0.000 1.370 95 N HN 0.417 nan 8.380 nan 0.000 0.481 96 V N 3.175 123.210 119.914 0.202 0.000 2.644 96 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 96 V C -1.147 175.039 176.094 0.153 0.000 1.053 96 V CA -0.075 62.108 62.300 -0.194 0.000 0.987 96 V CB 0.499 31.937 31.823 -0.641 0.000 1.006 96 V HN 0.689 nan 8.190 nan 0.000 0.472 97 Y N 3.260 123.515 120.300 -0.075 0.000 2.625 97 Y HA 0.900 5.449 4.550 -0.000 0.000 0.338 97 Y C -0.688 175.279 175.900 0.113 0.000 1.123 97 Y CA -1.170 56.985 58.100 0.093 0.000 1.046 97 Y CB 1.337 39.783 38.460 -0.023 0.000 1.299 97 Y HN 0.791 nan 8.280 nan 0.000 0.464 98 A N 1.205 124.062 122.820 0.061 0.000 2.393 98 A HA 0.717 5.037 4.320 -0.000 0.000 0.306 98 A C -1.822 175.724 177.584 -0.064 0.000 1.050 98 A CA -0.872 51.125 52.037 -0.066 0.000 0.724 98 A CB 1.400 20.481 19.000 0.135 0.000 1.248 98 A HN 0.755 nan 8.150 nan 0.000 0.424 99 V N 3.779 123.622 119.914 -0.118 0.000 2.368 99 V HA 0.209 4.329 4.120 -0.000 0.000 0.266 99 V C 0.470 176.575 176.094 0.018 0.000 1.045 99 V CA 0.083 62.322 62.300 -0.102 0.000 0.899 99 V CB 0.454 32.117 31.823 -0.266 0.000 1.006 99 V HN 0.833 nan 8.190 nan 0.000 0.470 100 I N 1.253 121.828 120.570 0.007 0.000 4.082 100 I HA 0.257 4.427 4.170 -0.000 0.000 0.337 100 I C 0.763 176.839 176.117 -0.067 0.000 1.352 100 I CA -0.352 60.993 61.300 0.076 0.000 1.097 100 I CB -0.206 37.850 38.000 0.093 0.000 1.048 100 I HN 0.584 nan 8.210 nan 0.000 0.393 101 D N 2.836 123.159 120.400 -0.130 0.000 2.417 101 D HA -0.055 4.585 4.640 -0.000 0.000 0.250 101 D C 0.328 176.290 176.300 -0.563 0.000 1.166 101 D CA 0.205 54.080 54.000 -0.208 0.000 0.881 101 D CB 1.090 41.838 40.800 -0.086 0.000 1.164 101 D HN 0.475 nan 8.370 nan 0.000 0.467 102 E N 2.539 122.339 120.200 -0.667 0.000 2.516 102 E HA -0.100 4.250 4.350 -0.000 0.000 0.199 102 E C 0.421 176.739 176.600 -0.470 0.000 1.069 102 E CA 0.188 55.939 56.400 -1.082 0.000 0.876 102 E CB 0.020 29.454 29.700 -0.443 0.000 0.843 102 E HN 0.423 nan 8.360 nan 0.000 0.530 103 N N -0.041 118.539 118.700 -0.200 0.000 2.336 103 N HA -0.048 4.692 4.740 -0.000 0.000 0.189 103 N C -0.333 175.256 175.510 0.131 0.000 1.113 103 N CA 0.186 53.242 53.050 0.010 0.000 0.858 103 N CB 0.119 38.616 38.487 0.016 0.000 0.970 103 N HN 0.150 nan 8.380 nan 0.000 0.471 104 Y N 2.020 122.363 120.300 0.073 0.000 2.851 104 Y HA 0.252 4.802 4.550 -0.000 0.000 0.369 104 Y C 0.631 176.699 175.900 0.280 0.000 1.226 104 Y CA -0.209 58.006 58.100 0.192 0.000 1.949 104 Y CB -1.069 37.516 38.460 0.209 0.000 2.059 104 Y HN -0.124 nan 8.280 nan 0.000 0.420 105 K N 0.754 121.191 120.400 0.062 0.000 2.166 105 K HA 0.737 5.057 4.320 -0.000 0.000 0.245 105 K C 0.447 176.984 176.600 -0.106 0.000 0.967 105 K CA -0.235 56.065 56.287 0.023 0.000 0.863 105 K CB 0.562 33.109 32.500 0.078 0.000 1.107 105 K HN 0.484 nan 8.250 nan 0.000 0.436 106 S N -0.218 115.433 115.700 -0.082 0.000 2.625 106 S HA 0.537 5.007 4.470 -0.000 0.000 0.262 106 S C 1.670 176.238 174.600 -0.053 0.000 1.223 106 S CA 0.258 58.407 58.200 -0.086 0.000 0.993 106 S CB 0.790 63.956 63.200 -0.057 0.000 1.051 106 S HN 1.427 nan 8.310 nan 0.000 0.562 107 A N 0.673 123.468 122.820 -0.041 0.000 1.841 107 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 107 A C 2.309 179.882 177.584 -0.018 0.000 1.195 107 A CA 2.026 54.047 52.037 -0.026 0.000 0.611 107 A CB -2.082 16.907 19.000 -0.019 0.000 0.835 107 A HN 0.879 nan 8.150 nan 0.000 0.443 108 T N -1.021 113.523 114.554 -0.017 0.000 2.802 108 T HA 0.104 4.454 4.350 -0.000 0.000 0.269 108 T C 1.535 176.228 174.700 -0.012 0.000 1.062 108 T CA 2.214 64.306 62.100 -0.013 0.000 1.133 108 T CB -0.373 68.487 68.868 -0.014 0.000 0.852 108 T HN 1.550 nan 8.240 nan 0.000 0.485 109 G N 0.046 108.838 108.800 -0.014 0.000 2.231 109 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.206 109 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.206 109 G C 0.282 175.174 174.900 -0.012 0.000 0.996 109 G CA -0.027 45.069 45.100 -0.006 0.000 0.645 109 G HN 0.499 nan 8.290 nan 0.000 0.498 110 K N 0.204 120.589 120.400 -0.024 0.000 2.569 110 K HA 0.219 4.539 4.320 -0.000 0.000 0.280 110 K C 0.715 177.283 176.600 -0.053 0.000 0.984 110 K CA 0.654 56.917 56.287 -0.039 0.000 1.064 110 K CB 0.175 32.654 32.500 -0.036 0.000 0.866 110 K HN 0.569 nan 8.250 nan 0.000 0.492 111 I N 2.680 123.186 120.570 -0.106 0.000 2.396 111 I HA 0.157 4.326 4.170 -0.000 0.000 0.289 111 I C 1.128 177.125 176.117 -0.200 0.000 1.056 111 I CA 0.455 61.613 61.300 -0.237 0.000 1.365 111 I CB 0.263 38.017 38.000 -0.410 0.000 1.407 111 I HN 0.462 nan 8.210 nan 0.000 0.509 112 L N 7.373 128.555 121.223 -0.067 0.000 3.017 112 L HA 0.302 4.642 4.340 -0.000 0.000 0.255 112 L C -0.638 176.392 176.870 0.266 0.000 1.247 112 L CA -0.431 54.481 54.840 0.121 0.000 1.038 112 L CB -0.517 41.677 42.059 0.225 0.000 1.380 112 L HN 0.674 nan 8.230 nan 0.000 0.548 113 Y N -3.322 117.071 120.300 0.156 0.000 2.665 113 Y HA 0.672 5.222 4.550 -0.000 0.000 0.336 113 Y C -0.333 175.609 175.900 0.071 0.000 1.085 113 Y CA -1.659 56.501 58.100 0.099 0.000 1.096 113 Y CB 0.638 39.172 38.460 0.123 0.000 1.301 113 Y HN -0.301 nan 8.280 nan 0.000 0.493 114 V N 2.222 122.315 119.914 0.298 0.000 2.389 114 V HA 0.164 4.284 4.120 -0.000 0.000 0.264 114 V C -0.126 176.228 176.094 0.433 0.000 1.049 114 V CA -0.626 61.817 62.300 0.239 0.000 0.932 114 V CB 0.130 32.055 31.823 0.171 0.000 1.011 114 V HN 0.723 nan 8.190 nan 0.000 0.475 115 E N 3.692 124.021 120.200 0.214 0.000 2.392 115 E HA 0.111 4.460 4.350 -0.000 0.000 0.264 115 E C 0.744 177.359 176.600 0.025 0.000 1.024 115 E CA -0.292 56.209 56.400 0.167 0.000 0.903 115 E CB 0.849 30.562 29.700 0.021 0.000 0.963 115 E HN 0.506 nan 8.360 nan 0.000 0.432 116 K N 0.894 121.120 120.400 -0.289 0.000 2.442 116 K HA -0.146 4.174 4.320 -0.000 0.000 0.199 116 K C 1.848 178.098 176.600 -0.583 0.000 1.044 116 K CA 1.541 57.208 56.287 -1.033 0.000 0.941 116 K CB -0.181 31.837 32.500 -0.804 0.000 0.759 116 K HN 0.589 nan 8.250 nan 0.000 0.472 117 T N -2.223 112.194 114.554 -0.227 0.000 3.067 117 T HA -0.027 4.323 4.350 -0.000 0.000 0.257 117 T C 1.652 176.331 174.700 -0.034 0.000 1.105 117 T CA 0.380 62.410 62.100 -0.117 0.000 1.104 117 T CB 0.150 68.974 68.868 -0.072 0.000 0.925 117 T HN 0.201 nan 8.240 nan 0.000 0.498 118 Q N -0.575 119.242 119.800 0.028 0.000 2.354 118 Q HA 0.193 4.532 4.340 -0.000 0.000 0.203 118 Q C 1.404 177.509 176.000 0.175 0.000 0.933 118 Q CA 0.169 56.022 55.803 0.082 0.000 0.901 118 Q CB -0.213 28.566 28.738 0.069 0.000 1.007 118 Q HN 0.377 nan 8.270 nan 0.000 0.495 119 F N 2.187 122.101 119.950 -0.060 0.000 2.063 119 F HA -0.331 4.195 4.527 -0.000 0.000 0.297 119 F C 1.917 177.660 175.800 -0.095 0.000 1.099 119 F CA 1.455 59.410 58.000 -0.074 0.000 1.220 119 F CB -0.870 38.108 39.000 -0.038 0.000 0.972 119 F HN 0.171 nan 8.300 nan 0.000 0.487 120 N N -0.036 118.749 118.700 0.141 0.000 2.166 120 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 120 N C 1.839 177.341 175.510 -0.014 0.000 1.019 120 N CA 1.136 54.211 53.050 0.042 0.000 0.856 120 N CB -0.382 38.122 38.487 0.029 0.000 0.993 120 N HN 0.123 nan 8.380 nan 0.000 0.426 121 K N 0.859 121.249 120.400 -0.017 0.000 2.057 121 K HA 0.028 4.348 4.320 -0.000 0.000 0.207 121 K C 1.686 178.217 176.600 -0.114 0.000 1.049 121 K CA 0.756 57.016 56.287 -0.045 0.000 0.931 121 K CB -0.504 31.977 32.500 -0.032 0.000 0.714 121 K HN -0.056 nan 8.250 nan 0.000 0.440 122 V N 0.939 120.729 119.914 -0.207 0.000 2.261 122 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 122 V C 2.360 178.148 176.094 -0.509 0.000 1.047 122 V CA 2.047 64.049 62.300 -0.496 0.000 1.015 122 V CB -1.014 30.414 31.823 -0.658 0.000 0.642 122 V HN 0.475 nan 8.190 nan 0.000 0.446 123 A N -0.873 121.772 122.820 -0.292 0.000 1.940 123 A HA -0.279 4.040 4.320 -0.000 0.000 0.219 123 A C 2.221 179.809 177.584 0.007 0.000 1.176 123 A CA 2.044 54.015 52.037 -0.111 0.000 0.631 123 A CB -0.516 18.461 19.000 -0.038 0.000 0.814 123 A HN 0.625 nan 8.150 nan 0.000 0.446 124 E N -0.472 119.714 120.200 -0.024 0.000 2.038 124 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 124 E C 2.050 178.704 176.600 0.091 0.000 1.000 124 E CA 1.630 58.041 56.400 0.018 0.000 0.803 124 E CB -0.173 29.523 29.700 -0.007 0.000 0.750 124 E HN 0.420 nan 8.360 nan 0.000 0.448 125 V N 0.783 120.744 119.914 0.079 0.000 2.244 125 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 125 V C 2.126 178.443 176.094 0.372 0.000 1.042 125 V CA 1.510 63.939 62.300 0.216 0.000 1.006 125 V CB -0.634 31.326 31.823 0.227 0.000 0.641 125 V HN 0.242 nan 8.190 nan 0.000 0.446 126 F N 0.618 120.599 119.950 0.052 0.000 2.192 126 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 126 F C 2.413 178.246 175.800 0.055 0.000 1.079 126 F CA 1.846 59.854 58.000 0.014 0.000 1.303 126 F CB -1.288 37.627 39.000 -0.142 0.000 1.024 126 F HN 0.375 nan 8.300 nan 0.000 0.494 127 H N 0.186 119.365 119.070 0.182 0.000 2.299 127 H HA -0.118 4.438 4.556 -0.000 0.000 0.302 127 H C 2.451 177.788 175.328 0.015 0.000 1.078 127 H CA 2.373 58.472 56.048 0.086 0.000 1.323 127 H CB -0.206 29.585 29.762 0.048 0.000 1.381 127 H HN 0.130 nan 8.280 nan 0.000 0.498 128 K N -0.910 119.481 120.400 -0.014 0.000 2.044 128 K HA -0.227 4.092 4.320 -0.000 0.000 0.210 128 K C 1.449 177.817 176.600 -0.388 0.000 1.049 128 K CA 2.117 58.242 56.287 -0.271 0.000 0.927 128 K CB -0.173 32.067 32.500 -0.434 0.000 0.713 128 K HN 0.373 nan 8.250 nan 0.000 0.443 129 Y N -0.428 119.879 120.300 0.011 0.000 2.441 129 Y HA 0.153 4.703 4.550 -0.000 0.000 0.288 129 Y C 1.525 177.405 175.900 -0.034 0.000 1.118 129 Y CA 0.306 58.403 58.100 -0.005 0.000 1.215 129 Y CB 0.455 38.928 38.460 0.021 0.000 1.118 129 Y HN -0.067 nan 8.280 nan 0.000 0.547 130 L N -0.217 121.062 121.223 0.093 0.000 2.667 130 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 130 L C -0.392 176.462 176.870 -0.026 0.000 1.138 130 L CA 0.103 54.950 54.840 0.011 0.000 0.921 130 L CB -0.065 41.950 42.059 -0.073 0.000 1.180 130 L HN 0.081 nan 8.230 nan 0.000 0.487 131 D N 0.942 121.286 120.400 -0.094 0.000 2.708 131 D HA -0.186 4.453 4.640 -0.000 0.000 0.236 131 D C 0.151 176.412 176.300 -0.065 0.000 1.146 131 D CA 1.125 55.033 54.000 -0.154 0.000 0.662 131 D CB -0.718 40.027 40.800 -0.091 0.000 1.059 131 D HN 0.308 nan 8.370 nan 0.000 0.428 132 M N 0.141 119.750 119.600 0.015 0.000 2.264 132 M HA 0.171 4.650 4.480 -0.000 0.000 0.352 132 M C 0.736 177.214 176.300 0.297 0.000 1.173 132 M CA -0.475 54.931 55.300 0.177 0.000 1.075 132 M CB 1.728 34.493 32.600 0.275 0.000 1.621 132 M HN -0.081 nan 8.290 nan 0.000 0.457 133 E N 2.801 123.162 120.200 0.268 0.000 2.292 133 E HA -0.025 4.325 4.350 -0.000 0.000 0.265 133 E C 0.406 177.182 176.600 0.293 0.000 1.093 133 E CA 0.098 56.658 56.400 0.267 0.000 0.922 133 E CB 0.593 30.401 29.700 0.179 0.000 1.001 133 E HN 0.618 nan 8.360 nan 0.000 0.444 134 E N 2.200 122.528 120.200 0.214 0.000 2.086 134 E HA -0.288 4.062 4.350 -0.000 0.000 0.200 134 E C 1.896 178.570 176.600 0.124 0.000 1.012 134 E CA 1.851 58.327 56.400 0.126 0.000 0.812 134 E CB -0.071 29.629 29.700 -0.001 0.000 0.743 134 E HN 0.691 nan 8.360 nan 0.000 0.453 135 S N 0.352 116.127 115.700 0.124 0.000 2.400 135 S HA -0.239 4.231 4.470 -0.000 0.000 0.232 135 S C 2.000 176.699 174.600 0.165 0.000 1.025 135 S CA 1.184 59.455 58.200 0.119 0.000 0.993 135 S CB -0.539 62.724 63.200 0.106 0.000 0.808 135 S HN 0.400 nan 8.310 nan 0.000 0.478 136 Y N 2.917 123.273 120.300 0.094 0.000 2.133 136 Y HA -0.062 4.488 4.550 -0.000 0.000 0.287 136 Y C 2.324 178.317 175.900 0.156 0.000 1.134 136 Y CA 1.366 59.535 58.100 0.114 0.000 1.133 136 Y CB -0.870 37.665 38.460 0.126 0.000 0.987 136 Y HN 0.121 nan 8.280 nan 0.000 0.502 137 V N 1.306 121.251 119.914 0.051 0.000 2.252 137 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 137 V C 2.555 178.616 176.094 -0.055 0.000 1.056 137 V CA 2.412 64.721 62.300 0.014 0.000 1.022 137 V CB -0.854 30.997 31.823 0.047 0.000 0.641 137 V HN 0.346 nan 8.190 nan 0.000 0.445 138 R N 0.029 120.518 120.500 -0.019 0.000 2.122 138 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 138 R C 2.617 178.910 176.300 -0.013 0.000 1.129 138 R CA 2.493 58.599 56.100 0.010 0.000 0.925 138 R CB -0.832 29.517 30.300 0.080 0.000 0.850 138 R HN 0.714 nan 8.270 nan 0.000 0.431 139 E N 0.812 121.007 120.200 -0.007 0.000 2.171 139 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 139 E C 1.779 178.319 176.600 -0.100 0.000 0.997 139 E CA 1.809 58.200 56.400 -0.015 0.000 0.810 139 E CB -0.513 29.203 29.700 0.027 0.000 0.738 139 E HN 0.346 nan 8.360 nan 0.000 0.467 140 Q N -0.789 118.876 119.800 -0.226 0.000 2.137 140 Q HA 0.192 4.532 4.340 -0.000 0.000 0.198 140 Q C 2.171 178.004 176.000 -0.278 0.000 0.960 140 Q CA 0.892 56.501 55.803 -0.323 0.000 0.847 140 Q CB -0.084 28.323 28.738 -0.551 0.000 0.915 140 Q HN 0.619 nan 8.270 nan 0.000 0.448 141 L N -0.687 120.372 121.223 -0.273 0.000 2.217 141 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 141 L C 1.244 177.990 176.870 -0.207 0.000 1.107 141 L CA 0.741 55.288 54.840 -0.488 0.000 0.783 141 L CB 0.002 41.323 42.059 -1.231 0.000 0.919 141 L HN -0.029 nan 8.230 nan 0.000 0.442 142 S N -0.189 115.518 115.700 0.012 0.000 2.677 142 S HA 0.119 4.589 4.470 -0.000 0.000 0.246 142 S C 0.277 174.918 174.600 0.067 0.000 1.005 142 S CA -0.184 58.127 58.200 0.186 0.000 1.062 142 S CB -0.238 63.088 63.200 0.211 0.000 0.778 142 S HN 0.317 nan 8.310 nan 0.000 0.461 143 Q N 2.880 122.681 119.800 0.003 0.000 2.293 143 Q HA 0.285 4.625 4.340 -0.000 0.000 0.251 143 Q C -2.152 173.849 176.000 0.002 0.000 0.930 143 Q CA -1.555 54.239 55.803 -0.016 0.000 0.893 143 Q CB 0.359 29.061 28.738 -0.060 0.000 1.215 143 Q HN 0.240 nan 8.270 nan 0.000 0.425 144 P HA 0.068 nan 4.420 nan 0.000 0.278 144 P C -0.343 176.951 177.300 -0.010 0.000 1.258 144 P CA -0.062 63.038 63.100 0.001 0.000 0.811 144 P CB 0.292 31.993 31.700 0.002 0.000 1.063 145 N N -0.094 118.600 118.700 -0.010 0.000 2.686 145 N HA -0.147 4.593 4.740 -0.000 0.000 0.261 145 N C -0.609 174.889 175.510 -0.021 0.000 1.001 145 N CA 1.404 54.446 53.050 -0.014 0.000 0.764 145 N CB -2.243 36.237 38.487 -0.011 0.000 0.898 145 N HN 0.486 nan 8.380 nan 0.000 0.544 146 L N -1.785 119.423 121.223 -0.026 0.000 2.513 146 L HA 0.439 4.778 4.340 -0.000 0.000 0.261 146 L C 0.767 177.613 176.870 -0.039 0.000 0.945 146 L CA -1.065 53.753 54.840 -0.035 0.000 0.848 146 L CB 1.778 43.807 42.059 -0.049 0.000 1.334 146 L HN 0.080 nan 8.230 nan 0.000 0.407 147 K N 0.943 121.319 120.400 -0.041 0.000 2.137 147 K HA 0.036 4.355 4.320 -0.000 0.000 0.202 147 K C 0.224 176.784 176.600 -0.066 0.000 1.052 147 K CA 0.999 57.258 56.287 -0.048 0.000 0.961 147 K CB 0.316 32.795 32.500 -0.035 0.000 0.741 147 K HN 0.719 nan 8.250 nan 0.000 0.452 148 Q N -1.038 118.728 119.800 -0.058 0.000 2.553 148 Q HA 0.616 4.956 4.340 -0.000 0.000 0.293 148 Q C -1.208 174.746 176.000 -0.076 0.000 1.038 148 Q CA -0.868 54.908 55.803 -0.046 0.000 0.777 148 Q CB 2.261 31.009 28.738 0.017 0.000 1.487 148 Q HN -0.144 nan 8.270 nan 0.000 0.426 149 V N -0.045 119.802 119.914 -0.113 0.000 3.159 149 V HA 0.735 4.855 4.120 -0.000 0.000 0.308 149 V C -1.362 174.493 176.094 -0.398 0.000 1.190 149 V CA -0.379 61.765 62.300 -0.260 0.000 1.037 149 V CB 2.749 34.362 31.823 -0.351 0.000 1.060 149 V HN 0.999 nan 8.190 nan 0.000 0.437 150 S N 2.393 117.782 115.700 -0.518 0.000 2.726 150 S HA 0.732 5.202 4.470 -0.000 0.000 0.308 150 S C -0.915 173.166 174.600 -0.865 0.000 1.115 150 S CA -0.228 57.676 58.200 -0.494 0.000 0.965 150 S CB 1.621 64.727 63.200 -0.157 0.000 1.145 150 S HN 0.597 nan 8.310 nan 0.000 0.532 151 F N 1.163 121.146 119.950 0.056 0.000 2.835 151 F HA 0.451 4.978 4.527 -0.000 0.000 0.342 151 F C 1.334 177.286 175.800 0.253 0.000 1.202 151 F CA 0.024 58.100 58.000 0.126 0.000 1.240 151 F CB 0.052 39.108 39.000 0.094 0.000 1.005 151 F HN 0.922 nan 8.300 nan 0.000 0.507 152 G N 1.540 110.484 108.800 0.238 0.000 2.578 152 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.275 152 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.275 152 G C 1.323 176.299 174.900 0.128 0.000 1.271 152 G CA 0.316 45.522 45.100 0.176 0.000 0.941 152 G HN 0.602 nan 8.290 nan 0.000 0.564 153 A N -0.580 122.285 122.820 0.074 0.000 1.884 153 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 153 A C 2.234 179.847 177.584 0.050 0.000 1.197 153 A CA 2.889 54.952 52.037 0.043 0.000 0.637 153 A CB -0.577 18.428 19.000 0.008 0.000 0.827 153 A HN 0.815 nan 8.150 nan 0.000 0.450 154 K N -0.680 119.753 120.400 0.055 0.000 2.504 154 K HA 0.012 4.332 4.320 -0.000 0.000 0.195 154 K C 1.732 178.357 176.600 0.041 0.000 1.036 154 K CA 0.492 56.804 56.287 0.041 0.000 0.984 154 K CB -0.219 32.301 32.500 0.032 0.000 0.788 154 K HN 0.510 nan 8.250 nan 0.000 0.488 155 G N 0.697 109.554 108.800 0.095 0.000 2.494 155 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.216 155 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.216 155 G C 0.483 175.441 174.900 0.098 0.000 1.140 155 G CA 0.041 45.199 45.100 0.096 0.000 0.801 155 G HN 0.151 nan 8.290 nan 0.000 0.536 156 N N -0.199 118.552 118.700 0.087 0.000 2.472 156 N HA 0.440 5.180 4.740 -0.000 0.000 0.289 156 N C 0.856 176.404 175.510 0.063 0.000 1.156 156 N CA 0.353 53.453 53.050 0.082 0.000 0.940 156 N CB 1.343 39.865 38.487 0.058 0.000 1.200 156 N HN 0.209 nan 8.380 nan 0.000 0.511 157 G N 0.387 109.220 108.800 0.054 0.000 2.221 157 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.265 157 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.265 157 G C -0.086 174.837 174.900 0.039 0.000 1.041 157 G CA -0.035 45.079 45.100 0.023 0.000 0.807 157 G HN 0.526 nan 8.290 nan 0.000 0.502 158 I N 1.497 122.120 120.570 0.087 0.000 2.575 158 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 158 I C 1.581 177.766 176.117 0.113 0.000 1.085 158 I CA 0.054 61.414 61.300 0.100 0.000 1.403 158 I CB 0.937 39.029 38.000 0.153 0.000 1.409 158 I HN 0.345 nan 8.210 nan 0.000 0.557 159 T N 2.169 116.774 114.554 0.085 0.000 2.813 159 T HA 0.001 4.351 4.350 -0.000 0.000 0.297 159 T C 0.916 175.735 174.700 0.200 0.000 1.036 159 T CA -0.095 62.075 62.100 0.116 0.000 1.044 159 T CB 0.698 69.612 68.868 0.076 0.000 0.993 159 T HN 0.563 nan 8.240 nan 0.000 0.535 160 Y N 2.134 122.540 120.300 0.177 0.000 2.114 160 Y HA -0.024 4.526 4.550 -0.000 0.000 0.284 160 Y C 2.684 178.542 175.900 -0.070 0.000 1.143 160 Y CA 2.069 60.263 58.100 0.157 0.000 1.135 160 Y CB -1.179 37.393 38.460 0.187 0.000 0.980 160 Y HN 0.851 nan 8.280 nan 0.000 0.499 161 A N 0.929 123.717 122.820 -0.053 0.000 1.884 161 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 161 A C 2.166 179.583 177.584 -0.279 0.000 1.197 161 A CA 2.318 54.253 52.037 -0.171 0.000 0.637 161 A CB -1.048 17.944 19.000 -0.014 0.000 0.827 161 A HN 0.645 nan 8.150 nan 0.000 0.450 162 N N -0.767 117.817 118.700 -0.194 0.000 2.120 162 N HA -0.143 4.596 4.740 -0.000 0.000 0.188 162 N C 1.792 177.060 175.510 -0.405 0.000 1.024 162 N CA 1.596 54.494 53.050 -0.254 0.000 0.852 162 N CB -0.482 37.965 38.487 -0.066 0.000 1.003 162 N HN 0.643 nan 8.380 nan 0.000 0.424 163 M N -0.025 119.311 119.600 -0.441 0.000 2.149 163 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 163 M C 1.413 177.283 176.300 -0.717 0.000 1.064 163 M CA 1.265 56.102 55.300 -0.772 0.000 1.102 163 M CB 0.028 31.907 32.600 -1.202 0.000 1.369 163 M HN 0.016 nan 8.290 nan 0.000 0.408 164 M N -0.316 118.864 119.600 -0.700 0.000 2.132 164 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 164 M C 2.238 178.287 176.300 -0.419 0.000 1.065 164 M CA 1.458 56.407 55.300 -0.585 0.000 1.122 164 M CB -1.467 30.728 32.600 -0.675 0.000 1.365 164 M HN 0.253 nan 8.290 nan 0.000 0.411 165 S N 0.896 116.307 115.700 -0.482 0.000 2.368 165 S HA -0.056 4.413 4.470 -0.000 0.000 0.225 165 S C 2.022 176.289 174.600 -0.556 0.000 1.030 165 S CA 1.077 58.945 58.200 -0.553 0.000 0.999 165 S CB -0.357 62.307 63.200 -0.893 0.000 0.844 165 S HN 0.411 nan 8.310 nan 0.000 0.459 166 I N 1.308 121.563 120.570 -0.525 0.000 2.226 166 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 166 I C 2.426 178.533 176.117 -0.016 0.000 1.100 166 I CA 1.234 62.444 61.300 -0.150 0.000 1.374 166 I CB -0.318 37.757 38.000 0.125 0.000 1.057 166 I HN 0.242 nan 8.210 nan 0.000 0.413 167 K N 0.773 121.140 120.400 -0.055 0.000 2.026 167 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 167 K C 2.158 178.729 176.600 -0.049 0.000 1.048 167 K CA 1.355 57.631 56.287 -0.018 0.000 0.929 167 K CB -0.168 32.288 32.500 -0.072 0.000 0.713 167 K HN -0.016 nan 8.250 nan 0.000 0.439 168 K N 1.790 122.131 120.400 -0.099 0.000 2.034 168 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 168 K C 1.770 178.355 176.600 -0.025 0.000 1.051 168 K CA 1.884 58.130 56.287 -0.068 0.000 0.931 168 K CB -0.114 32.334 32.500 -0.087 0.000 0.715 168 K HN 0.180 nan 8.250 nan 0.000 0.446 169 E N -0.128 120.069 120.200 -0.004 0.000 2.028 169 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 169 E C 2.080 178.694 176.600 0.022 0.000 0.988 169 E CA 1.344 57.768 56.400 0.039 0.000 0.799 169 E CB -0.189 29.580 29.700 0.115 0.000 0.755 169 E HN 0.254 nan 8.360 nan 0.000 0.447 170 L N 0.778 122.012 121.223 0.019 0.000 2.261 170 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 170 L C 2.776 179.639 176.870 -0.010 0.000 1.114 170 L CA 1.470 56.308 54.840 -0.003 0.000 0.777 170 L CB -0.787 41.267 42.059 -0.007 0.000 0.910 170 L HN 0.275 nan 8.230 nan 0.000 0.440 171 E N 0.075 120.270 120.200 -0.008 0.000 2.008 171 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 171 E C 1.776 178.369 176.600 -0.011 0.000 0.986 171 E CA 1.349 57.741 56.400 -0.012 0.000 0.807 171 E CB -1.200 28.491 29.700 -0.016 0.000 0.766 171 E HN 0.534 nan 8.360 nan 0.000 0.450 172 T N -2.310 112.240 114.554 -0.006 0.000 3.953 172 T HA 0.555 4.905 4.350 -0.000 0.000 0.236 172 T C 0.699 175.397 174.700 -0.003 0.000 0.861 172 T CA 0.584 62.682 62.100 -0.004 0.000 0.909 172 T CB -0.128 68.741 68.868 0.001 0.000 1.240 172 T HN 0.827 nan 8.240 nan 0.000 0.683 173 A N 0.796 123.611 122.820 -0.008 0.000 2.709 173 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 173 A C 0.357 177.930 177.584 -0.019 0.000 1.280 173 A CA -0.136 51.895 52.037 -0.011 0.000 1.034 173 A CB 0.086 19.081 19.000 -0.008 0.000 1.255 173 A HN 0.522 nan 8.150 nan 0.000 0.547 174 E N -0.060 120.128 120.200 -0.021 0.000 2.230 174 E HA -0.147 4.202 4.350 -0.000 0.000 0.206 174 E C -0.662 175.915 176.600 -0.037 0.000 1.309 174 E CA 0.657 57.041 56.400 -0.028 0.000 0.697 174 E CB -1.746 27.936 29.700 -0.029 0.000 1.146 174 E HN 0.391 nan 8.360 nan 0.000 0.363 175 V N 1.401 121.292 119.914 -0.037 0.000 2.409 175 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 175 V C 0.477 176.541 176.094 -0.050 0.000 1.020 175 V CA -0.716 61.556 62.300 -0.046 0.000 0.848 175 V CB 1.585 33.378 31.823 -0.051 0.000 0.990 175 V HN 0.119 nan 8.190 nan 0.000 0.430 176 K N 2.428 122.792 120.400 -0.060 0.000 2.168 176 K HA 0.776 5.096 4.320 -0.000 0.000 0.239 176 K C 1.055 177.631 176.600 -0.041 0.000 0.999 176 K CA -0.213 56.044 56.287 -0.050 0.000 0.900 176 K CB 1.389 33.853 32.500 -0.059 0.000 1.111 176 K HN 0.960 nan 8.250 nan 0.000 0.452 177 G N -0.057 108.726 108.800 -0.028 0.000 2.176 177 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.232 177 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.232 177 G C -0.144 174.653 174.900 -0.172 0.000 0.986 177 G CA -0.354 44.719 45.100 -0.045 0.000 0.643 177 G HN 0.362 nan 8.290 nan 0.000 0.522 178 I N 2.074 122.532 120.570 -0.185 0.000 2.330 178 I HA 0.549 4.719 4.170 -0.000 0.000 0.289 178 I C -0.539 175.362 176.117 -0.360 0.000 1.001 178 I CA -0.630 60.499 61.300 -0.286 0.000 1.193 178 I CB 1.134 39.028 38.000 -0.177 0.000 1.345 178 I HN 0.021 nan 8.210 nan 0.000 0.461 179 D N 5.143 125.128 120.400 -0.691 0.000 2.652 179 D HA 0.577 5.217 4.640 -0.000 0.000 0.285 179 D C -1.075 174.899 176.300 -0.542 0.000 1.173 179 D CA -0.120 53.596 54.000 -0.473 0.000 0.981 179 D CB 2.498 43.149 40.800 -0.249 0.000 1.440 179 D HN 0.036 nan 8.370 nan 0.000 0.485 180 F N -0.330 119.705 119.950 0.143 0.000 2.611 180 F HA 0.468 4.995 4.527 -0.000 0.000 0.324 180 F C 0.567 176.561 175.800 0.323 0.000 1.061 180 F CA -0.553 57.610 58.000 0.273 0.000 0.954 180 F CB 1.871 40.944 39.000 0.123 0.000 1.301 180 F HN -0.121 nan 8.300 nan 0.000 0.482 181 T N 0.130 114.973 114.554 0.481 0.000 2.855 181 T HA 0.462 4.811 4.350 -0.000 0.000 0.281 181 T C -0.488 174.416 174.700 0.340 0.000 1.007 181 T CA -0.624 61.645 62.100 0.282 0.000 1.009 181 T CB 1.453 70.394 68.868 0.121 0.000 0.983 181 T HN 0.465 nan 8.240 nan 0.000 0.455 182 T N 2.547 117.260 114.554 0.264 0.000 2.817 182 T HA 0.403 4.753 4.350 -0.000 0.000 0.293 182 T C 0.067 174.789 174.700 0.036 0.000 0.964 182 T CA -0.320 61.911 62.100 0.219 0.000 1.085 182 T CB 0.766 69.766 68.868 0.221 0.000 0.921 182 T HN 0.410 nan 8.240 nan 0.000 0.502 183 S N 4.861 120.503 115.700 -0.097 0.000 2.653 183 S HA 0.425 4.895 4.470 -0.000 0.000 0.272 183 S C -2.510 172.007 174.600 -0.138 0.000 1.221 183 S CA -1.202 56.943 58.200 -0.092 0.000 1.149 183 S CB 0.823 63.978 63.200 -0.075 0.000 1.029 183 S HN 0.429 nan 8.310 nan 0.000 0.481 184 P HA 0.286 nan 4.420 nan 0.000 0.275 184 P C -0.504 176.752 177.300 -0.073 0.000 1.228 184 P CA -0.345 62.704 63.100 -0.086 0.000 0.786 184 P CB 0.574 32.246 31.700 -0.047 0.000 0.927 185 N N 0.914 119.565 118.700 -0.082 0.000 2.823 185 N HA 0.483 5.223 4.740 -0.000 0.000 0.251 185 N C -1.422 174.038 175.510 -0.084 0.000 1.392 185 N CA -0.681 52.331 53.050 -0.064 0.000 0.864 185 N CB 1.547 39.996 38.487 -0.063 0.000 1.481 185 N HN 0.109 nan 8.380 nan 0.000 0.508 186 R N 0.520 120.975 120.500 -0.074 0.000 2.599 186 R HA 0.453 4.793 4.340 -0.000 0.000 0.295 186 R C -1.408 174.766 176.300 -0.210 0.000 0.963 186 R CA -0.423 55.570 56.100 -0.178 0.000 0.883 186 R CB 1.690 31.903 30.300 -0.146 0.000 1.171 186 R HN 0.368 nan 8.270 nan 0.000 0.450 187 S N 3.536 119.028 115.700 -0.347 0.000 2.596 187 S HA 0.433 4.902 4.470 -0.000 0.000 0.318 187 S C -1.480 172.892 174.600 -0.380 0.000 1.097 187 S CA -0.489 57.567 58.200 -0.239 0.000 1.080 187 S CB 0.303 63.418 63.200 -0.141 0.000 0.991 187 S HN 0.536 nan 8.310 nan 0.000 0.471 188 Y N 6.157 126.450 120.300 -0.012 0.000 2.944 188 Y HA 0.346 4.896 4.550 -0.000 0.000 0.335 188 Y C -1.414 174.468 175.900 -0.030 0.000 1.075 188 Y CA -2.030 56.060 58.100 -0.017 0.000 1.240 188 Y CB 0.904 39.390 38.460 0.042 0.000 1.167 188 Y HN 0.557 nan 8.280 nan 0.000 0.555 189 P HA -0.201 nan 4.420 nan 0.000 0.218 189 P C 0.258 177.554 177.300 -0.006 0.000 1.146 189 P CA 1.476 64.573 63.100 -0.005 0.000 0.813 189 P CB 0.491 32.163 31.700 -0.047 0.000 0.778 190 N N -0.397 118.268 118.700 -0.057 0.000 2.383 190 N HA 0.034 4.774 4.740 -0.000 0.000 0.192 190 N C 1.536 177.112 175.510 0.109 0.000 1.141 190 N CA 0.921 53.949 53.050 -0.038 0.000 0.851 190 N CB 0.108 38.382 38.487 -0.354 0.000 0.976 190 N HN 0.189 nan 8.380 nan 0.000 0.465 191 G N 1.905 110.777 108.800 0.120 0.000 2.629 191 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.313 191 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.313 191 G C -0.071 174.927 174.900 0.163 0.000 1.217 191 G CA 0.015 45.198 45.100 0.138 0.000 0.994 191 G HN 0.432 nan 8.290 nan 0.000 0.549 192 Q N 0.709 120.591 119.800 0.137 0.000 2.276 192 Q HA 0.450 4.789 4.340 -0.000 0.000 0.267 192 Q C -1.301 174.825 176.000 0.211 0.000 1.135 192 Q CA 0.014 55.879 55.803 0.103 0.000 0.910 192 Q CB -0.234 28.529 28.738 0.041 0.000 1.271 192 Q HN 0.774 nan 8.270 nan 0.000 0.417 193 F N 3.747 123.696 119.950 -0.000 0.000 3.395 193 F HA 0.363 4.889 4.527 -0.000 0.000 0.382 193 F C -0.081 175.750 175.800 0.052 0.000 1.264 193 F CA 0.277 58.304 58.000 0.045 0.000 1.277 193 F CB 0.328 39.381 39.000 0.088 0.000 1.780 193 F HN 0.653 nan 8.300 nan 0.000 0.691 194 A N 3.126 125.892 122.820 -0.090 0.000 2.774 194 A HA -0.296 4.024 4.320 -0.000 0.000 0.290 194 A C 1.782 179.434 177.584 0.114 0.000 1.484 194 A CA 1.385 53.423 52.037 0.002 0.000 0.863 194 A CB -2.317 16.706 19.000 0.039 0.000 0.989 194 A HN 1.050 nan 8.150 nan 0.000 0.554 195 S N -0.161 115.515 115.700 -0.041 0.000 2.412 195 S HA -0.328 4.142 4.470 -0.000 0.000 0.246 195 S C 2.135 176.692 174.600 -0.071 0.000 1.073 195 S CA 2.161 60.220 58.200 -0.236 0.000 1.186 195 S CB -0.514 62.089 63.200 -0.994 0.000 1.084 195 S HN 1.123 nan 8.310 nan 0.000 0.434 196 S N 0.790 116.451 115.700 -0.066 0.000 2.383 196 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 196 S C 1.533 176.298 174.600 0.276 0.000 1.026 196 S CA 1.035 59.353 58.200 0.196 0.000 0.981 196 S CB -0.468 62.821 63.200 0.149 0.000 0.818 196 S HN 0.492 nan 8.310 nan 0.000 0.472 197 F N 2.511 122.518 119.950 0.095 0.000 2.134 197 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 197 F C 1.783 177.637 175.800 0.090 0.000 1.097 197 F CA 0.919 58.984 58.000 0.108 0.000 1.264 197 F CB -0.236 38.811 39.000 0.079 0.000 1.001 197 F HN 0.082 nan 8.300 nan 0.000 0.479 198 I N -0.071 120.558 120.570 0.099 0.000 2.406 198 I HA 0.127 4.297 4.170 -0.000 0.000 0.249 198 I C 1.641 177.794 176.117 0.061 0.000 1.122 198 I CA 1.355 62.675 61.300 0.032 0.000 1.431 198 I CB -1.923 36.208 38.000 0.218 0.000 1.087 198 I HN 0.265 nan 8.210 nan 0.000 0.424 199 G N 1.524 110.421 108.800 0.162 0.000 2.725 199 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.220 199 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.220 199 G C -0.725 174.271 174.900 0.159 0.000 1.357 199 G CA -0.583 44.631 45.100 0.190 0.000 0.866 199 G HN 0.210 nan 8.290 nan 0.000 0.548 200 L N -0.180 121.105 121.223 0.104 0.000 2.401 200 L HA 0.742 5.082 4.340 -0.000 0.000 0.266 200 L C 0.552 177.483 176.870 0.102 0.000 0.991 200 L CA -0.714 54.173 54.840 0.077 0.000 0.818 200 L CB 2.291 44.328 42.059 -0.038 0.000 1.321 200 L HN 1.288 nan 8.230 nan 0.000 0.413 201 A N 3.023 125.969 122.820 0.210 0.000 2.252 201 A HA 0.625 4.945 4.320 -0.000 0.000 0.309 201 A C -0.567 177.069 177.584 0.086 0.000 1.285 201 A CA -0.397 51.706 52.037 0.111 0.000 0.900 201 A CB 0.502 19.558 19.000 0.094 0.000 1.157 201 A HN 0.739 nan 8.150 nan 0.000 0.536 202 Q N 1.161 120.980 119.800 0.031 0.000 2.301 202 Q HA 0.473 4.813 4.340 -0.000 0.000 0.267 202 Q C -1.094 174.929 176.000 0.038 0.000 1.035 202 Q CA -1.126 54.692 55.803 0.024 0.000 0.856 202 Q CB 2.322 31.051 28.738 -0.014 0.000 1.337 202 Q HN 0.638 nan 8.270 nan 0.000 0.450 203 L N 2.472 123.717 121.223 0.037 0.000 2.418 203 L HA 0.119 4.459 4.340 -0.000 0.000 0.274 203 L C -0.697 176.220 176.870 0.078 0.000 1.135 203 L CA 0.503 55.367 54.840 0.041 0.000 0.870 203 L CB -0.194 41.873 42.059 0.014 0.000 1.154 203 L HN 0.553 nan 8.230 nan 0.000 0.462 204 H N 3.021 122.082 119.070 -0.014 0.000 2.469 204 H HA 0.673 5.229 4.556 -0.000 0.000 0.342 204 H C -0.511 174.812 175.328 -0.008 0.000 1.115 204 H CA -0.055 55.985 56.048 -0.014 0.000 1.204 204 H CB 1.104 30.857 29.762 -0.015 0.000 1.492 204 H HN 0.659 nan 8.280 nan 0.000 0.499 205 E N 4.035 123.880 120.200 -0.591 0.000 2.200 205 E HA 0.304 4.654 4.350 -0.000 0.000 0.283 205 E C -0.598 175.588 176.600 -0.690 0.000 1.015 205 E CA -0.868 55.242 56.400 -0.483 0.000 0.819 205 E CB 0.242 29.810 29.700 -0.221 0.000 1.081 205 E HN 0.800 nan 8.360 nan 0.000 0.397 206 N N 1.371 119.836 118.700 -0.392 0.000 2.447 206 N HA 0.072 4.812 4.740 -0.000 0.000 0.271 206 N C 1.369 176.824 175.510 -0.093 0.000 1.226 206 N CA 0.055 52.982 53.050 -0.205 0.000 0.980 206 N CB 0.944 39.382 38.487 -0.081 0.000 1.206 206 N HN 0.773 nan 8.380 nan 0.000 0.558 207 E N 0.910 121.095 120.200 -0.026 0.000 2.033 207 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 207 E C -0.028 176.570 176.600 -0.002 0.000 1.011 207 E CA 1.375 57.773 56.400 -0.004 0.000 0.815 207 E CB -0.672 29.039 29.700 0.018 0.000 0.755 207 E HN 0.631 nan 8.360 nan 0.000 0.451 208 D N 0.883 121.288 120.400 0.009 0.000 2.636 208 D HA 0.017 4.657 4.640 -0.000 0.000 0.256 208 D C 1.254 177.555 176.300 0.002 0.000 1.280 208 D CA 0.804 54.819 54.000 0.025 0.000 0.910 208 D CB -0.426 40.406 40.800 0.053 0.000 1.045 208 D HN 0.487 nan 8.370 nan 0.000 0.472 209 G N 0.996 109.783 108.800 -0.021 0.000 2.494 209 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.252 209 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.252 209 G C 0.682 175.552 174.900 -0.051 0.000 1.025 209 G CA 1.107 46.184 45.100 -0.038 0.000 0.638 209 G HN 0.813 nan 8.290 nan 0.000 0.544 210 S N -0.040 115.638 115.700 -0.037 0.000 2.580 210 S HA 0.598 5.068 4.470 -0.000 0.000 0.266 210 S C 0.235 174.796 174.600 -0.065 0.000 1.354 210 S CA 1.176 59.355 58.200 -0.034 0.000 1.008 210 S CB 1.424 64.621 63.200 -0.005 0.000 0.898 210 S HN 1.790 nan 8.310 nan 0.000 0.555 211 K N -0.001 120.368 120.400 -0.051 0.000 2.352 211 K HA 0.855 5.175 4.320 -0.000 0.000 0.240 211 K C -0.236 176.349 176.600 -0.026 0.000 1.017 211 K CA -0.452 55.795 56.287 -0.067 0.000 0.851 211 K CB 1.526 33.995 32.500 -0.053 0.000 1.261 211 K HN 1.697 nan 8.250 nan 0.000 0.451 212 S N -0.591 115.107 115.700 -0.004 0.000 2.565 212 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 212 S C -1.047 173.583 174.600 0.050 0.000 1.144 212 S CA -0.829 57.388 58.200 0.028 0.000 0.849 212 S CB 0.357 63.584 63.200 0.046 0.000 1.103 212 S HN 0.588 nan 8.310 nan 0.000 0.455 213 L N 1.952 123.193 121.223 0.030 0.000 2.360 213 L HA 0.455 4.795 4.340 -0.000 0.000 0.276 213 L C -0.772 176.117 176.870 0.031 0.000 1.121 213 L CA -0.298 54.558 54.840 0.028 0.000 0.845 213 L CB 0.433 42.494 42.059 0.004 0.000 1.143 213 L HN 0.552 nan 8.230 nan 0.000 0.452 214 L N 2.842 124.083 121.223 0.031 0.000 2.362 214 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 214 L C 0.543 177.407 176.870 -0.010 0.000 0.998 214 L CA -0.622 54.221 54.840 0.003 0.000 0.820 214 L CB 1.949 43.995 42.059 -0.023 0.000 1.270 214 L HN 0.613 nan 8.230 nan 0.000 0.415 215 G N 0.211 109.003 108.800 -0.015 0.000 2.354 215 G HA2 0.295 4.255 3.960 -0.000 0.000 0.266 215 G HA3 0.295 4.255 3.960 -0.000 0.000 0.266 215 G C 0.852 175.723 174.900 -0.049 0.000 1.242 215 G CA 0.047 45.138 45.100 -0.015 0.000 0.923 215 G HN 0.764 nan 8.290 nan 0.000 0.476 216 T N -1.278 113.233 114.554 -0.073 0.000 3.044 216 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 216 T C 1.048 175.652 174.700 -0.161 0.000 1.081 216 T CA 0.554 62.571 62.100 -0.138 0.000 1.040 216 T CB 0.009 68.757 68.868 -0.200 0.000 0.962 216 T HN 1.052 nan 8.240 nan 0.000 0.506 217 S N -1.146 114.498 115.700 -0.093 0.000 2.611 217 S HA 0.652 5.122 4.470 -0.000 0.000 0.268 217 S C 0.487 175.104 174.600 0.029 0.000 1.156 217 S CA -0.371 57.805 58.200 -0.040 0.000 0.817 217 S CB 1.023 64.184 63.200 -0.065 0.000 1.122 217 S HN 1.285 nan 8.310 nan 0.000 0.466 218 G N 1.423 110.265 108.800 0.071 0.000 2.581 218 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.291 218 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.291 218 G C 0.796 175.629 174.900 -0.112 0.000 1.277 218 G CA 0.696 45.808 45.100 0.020 0.000 0.959 218 G HN 1.032 nan 8.290 nan 0.000 0.554 219 M N -0.339 119.108 119.600 -0.255 0.000 2.065 219 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 219 M C 2.566 178.804 176.300 -0.103 0.000 1.069 219 M CA 2.282 57.415 55.300 -0.278 0.000 1.110 219 M CB -0.637 31.768 32.600 -0.325 0.000 1.328 219 M HN 0.644 nan 8.290 nan 0.000 0.405 220 E N 0.023 120.200 120.200 -0.037 0.000 2.136 220 E HA -0.252 4.098 4.350 -0.000 0.000 0.208 220 E C 2.056 178.649 176.600 -0.012 0.000 1.035 220 E CA 1.982 58.387 56.400 0.008 0.000 0.838 220 E CB -0.508 29.231 29.700 0.066 0.000 0.748 220 E HN 0.457 nan 8.360 nan 0.000 0.459 221 S N -0.100 115.585 115.700 -0.024 0.000 2.336 221 S HA -0.080 4.390 4.470 -0.000 0.000 0.216 221 S C 2.238 176.822 174.600 -0.027 0.000 1.032 221 S CA 1.353 59.536 58.200 -0.028 0.000 0.973 221 S CB -0.101 63.080 63.200 -0.031 0.000 0.888 221 S HN 0.139 nan 8.310 nan 0.000 0.455 222 S N 1.402 117.077 115.700 -0.042 0.000 2.374 222 S HA 0.045 4.515 4.470 -0.000 0.000 0.227 222 S C 1.468 176.058 174.600 -0.016 0.000 1.037 222 S CA 1.284 59.462 58.200 -0.037 0.000 1.024 222 S CB -0.382 62.766 63.200 -0.087 0.000 0.861 222 S HN 0.504 nan 8.310 nan 0.000 0.456 223 L N 1.471 122.685 121.223 -0.015 0.000 2.653 223 L HA 0.193 4.533 4.340 -0.000 0.000 0.231 223 L C 1.698 178.568 176.870 0.001 0.000 1.153 223 L CA -0.149 54.695 54.840 0.007 0.000 0.933 223 L CB -0.568 41.509 42.059 0.030 0.000 1.175 223 L HN 0.246 nan 8.230 nan 0.000 0.473 224 N N 0.834 119.531 118.700 -0.005 0.000 2.021 224 N HA -0.244 4.496 4.740 -0.000 0.000 0.198 224 N C 1.907 177.418 175.510 0.000 0.000 1.041 224 N CA 2.295 55.342 53.050 -0.005 0.000 0.862 224 N CB 0.065 38.547 38.487 -0.009 0.000 1.048 224 N HN 0.130 nan 8.380 nan 0.000 0.427 225 S N -0.010 115.693 115.700 0.005 0.000 2.372 225 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 225 S C 2.013 176.620 174.600 0.012 0.000 1.044 225 S CA 1.457 59.663 58.200 0.011 0.000 1.050 225 S CB -0.504 62.707 63.200 0.019 0.000 0.901 225 S HN 0.366 nan 8.310 nan 0.000 0.447 226 I N 1.090 121.666 120.570 0.010 0.000 2.226 226 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 226 I C 2.143 178.263 176.117 0.005 0.000 1.100 226 I CA 1.226 62.531 61.300 0.008 0.000 1.374 226 I CB -0.493 37.509 38.000 0.004 0.000 1.057 226 I HN 0.237 nan 8.210 nan 0.000 0.413 227 L N 0.607 121.830 121.223 0.000 0.000 2.023 227 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 227 L C 2.895 179.758 176.870 -0.012 0.000 1.073 227 L CA 1.205 56.038 54.840 -0.011 0.000 0.745 227 L CB -0.764 41.283 42.059 -0.019 0.000 0.900 227 L HN 0.186 nan 8.230 nan 0.000 0.435 228 A N -0.015 122.801 122.820 -0.006 0.000 2.032 228 A HA 0.035 4.355 4.320 -0.000 0.000 0.221 228 A C 1.568 179.152 177.584 -0.000 0.000 1.165 228 A CA 1.284 53.319 52.037 -0.003 0.000 0.645 228 A CB -1.117 17.885 19.000 0.003 0.000 0.807 228 A HN 0.563 nan 8.150 nan 0.000 0.453 229 G N -2.237 106.564 108.800 0.002 0.000 2.601 229 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.261 229 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.261 229 G C -0.057 174.848 174.900 0.008 0.000 1.289 229 G CA 0.106 45.208 45.100 0.003 0.000 0.920 229 G HN 1.012 nan 8.290 nan 0.000 0.571 230 T N 1.703 116.263 114.554 0.009 0.000 2.815 230 T HA 0.520 4.870 4.350 -0.000 0.000 0.289 230 T C -0.218 174.492 174.700 0.017 0.000 1.000 230 T CA -0.320 61.789 62.100 0.014 0.000 0.958 230 T CB 1.353 70.230 68.868 0.014 0.000 0.944 230 T HN 0.606 nan 8.240 nan 0.000 0.442 231 D N 1.969 122.382 120.400 0.022 0.000 2.341 231 D HA 0.325 4.965 4.640 -0.000 0.000 0.235 231 D C 0.893 177.211 176.300 0.030 0.000 1.265 231 D CA 0.509 54.525 54.000 0.027 0.000 0.888 231 D CB 0.551 41.371 40.800 0.033 0.000 1.192 231 D HN 0.625 nan 8.370 nan 0.000 0.462 232 G N -0.673 108.148 108.800 0.036 0.000 2.491 232 G HA2 0.642 4.602 3.960 -0.000 0.000 0.327 232 G HA3 0.642 4.602 3.960 -0.000 0.000 0.327 232 G C -0.521 174.408 174.900 0.047 0.000 1.189 232 G CA -0.541 44.582 45.100 0.039 0.000 0.956 232 G HN 0.415 nan 8.290 nan 0.000 0.491 233 I N -0.046 120.554 120.570 0.050 0.000 2.608 233 I HA 0.424 4.594 4.170 -0.000 0.000 0.295 233 I C -0.702 175.459 176.117 0.074 0.000 1.049 233 I CA -0.628 60.708 61.300 0.060 0.000 1.063 233 I CB 2.431 40.461 38.000 0.049 0.000 1.248 233 I HN 0.166 nan 8.210 nan 0.000 0.424 234 I N 4.064 124.696 120.570 0.103 0.000 2.465 234 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 234 I C -0.413 175.820 176.117 0.192 0.000 1.014 234 I CA -0.327 61.055 61.300 0.137 0.000 1.093 234 I CB 2.287 40.375 38.000 0.146 0.000 1.267 234 I HN 0.505 nan 8.210 nan 0.000 0.431 235 T N 4.991 119.649 114.554 0.173 0.000 2.888 235 T HA 0.731 5.081 4.350 -0.000 0.000 0.284 235 T C -1.073 173.776 174.700 0.248 0.000 1.017 235 T CA -0.518 61.661 62.100 0.131 0.000 1.022 235 T CB 1.528 70.421 68.868 0.042 0.000 1.013 235 T HN 0.550 nan 8.240 nan 0.000 0.465 236 Y N -1.346 118.949 120.300 -0.009 0.000 2.779 236 Y HA 0.686 5.236 4.550 -0.000 0.000 0.340 236 Y C -1.177 174.687 175.900 -0.059 0.000 1.252 236 Y CA -1.435 56.657 58.100 -0.014 0.000 1.072 236 Y CB 0.775 39.242 38.460 0.013 0.000 1.343 236 Y HN 0.525 nan 8.280 nan 0.000 0.450 237 E N 1.447 121.661 120.200 0.023 0.000 2.222 237 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 237 E C -1.481 175.092 176.600 -0.045 0.000 0.963 237 E CA -1.426 54.895 56.400 -0.131 0.000 0.837 237 E CB 2.358 32.024 29.700 -0.056 0.000 1.183 237 E HN 0.581 nan 8.360 nan 0.000 0.403 238 K N 0.715 121.001 120.400 -0.189 0.000 2.535 238 K HA 0.245 4.564 4.320 -0.000 0.000 0.251 238 K C -1.399 175.200 176.600 -0.002 0.000 0.942 238 K CA -0.916 55.351 56.287 -0.033 0.000 0.798 238 K CB 1.486 33.994 32.500 0.013 0.000 1.267 238 K HN 0.460 nan 8.250 nan 0.000 0.434 239 D N 1.494 121.935 120.400 0.068 0.000 2.354 239 D HA 0.065 4.704 4.640 -0.000 0.000 0.238 239 D C 1.582 177.959 176.300 0.128 0.000 1.250 239 D CA 0.176 54.229 54.000 0.089 0.000 0.911 239 D CB 0.558 41.399 40.800 0.068 0.000 1.163 239 D HN 0.715 nan 8.370 nan 0.000 0.456 240 R N 0.290 120.852 120.500 0.105 0.000 2.204 240 R HA -0.021 4.319 4.340 -0.000 0.000 0.253 240 R C 2.062 178.403 176.300 0.069 0.000 1.172 240 R CA 2.354 58.503 56.100 0.081 0.000 0.994 240 R CB -1.889 28.439 30.300 0.047 0.000 0.874 240 R HN 0.869 nan 8.270 nan 0.000 0.462 241 L N -0.891 120.374 121.223 0.071 0.000 2.851 241 L HA 0.654 4.993 4.340 -0.000 0.000 0.237 241 L C 2.051 178.967 176.870 0.076 0.000 1.257 241 L CA 0.695 55.571 54.840 0.060 0.000 1.061 241 L CB -1.404 40.684 42.059 0.048 0.000 1.372 241 L HN 1.158 nan 8.230 nan 0.000 0.493 242 G N -0.160 108.704 108.800 0.108 0.000 2.200 242 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 242 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 242 G C 0.384 175.356 174.900 0.120 0.000 0.993 242 G CA 0.470 45.645 45.100 0.126 0.000 0.701 242 G HN 0.729 nan 8.290 nan 0.000 0.524 243 N N 0.158 118.924 118.700 0.110 0.000 2.444 243 N HA 0.321 5.061 4.740 -0.000 0.000 0.271 243 N C 0.599 176.197 175.510 0.147 0.000 1.069 243 N CA -0.381 52.740 53.050 0.117 0.000 0.965 243 N CB 1.717 40.264 38.487 0.100 0.000 1.092 243 N HN 0.493 nan 8.380 nan 0.000 0.476 244 I N 2.052 122.736 120.570 0.189 0.000 2.710 244 I HA -0.051 4.119 4.170 -0.000 0.000 0.286 244 I C -0.323 175.921 176.117 0.211 0.000 1.181 244 I CA -0.289 61.159 61.300 0.247 0.000 1.430 244 I CB 0.563 38.698 38.000 0.225 0.000 1.367 244 I HN 0.091 nan 8.210 nan 0.000 0.577 245 V N 9.359 129.369 119.914 0.160 0.000 2.432 245 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 245 V C -2.019 174.069 176.094 -0.009 0.000 1.046 245 V CA -1.443 60.892 62.300 0.058 0.000 0.945 245 V CB 0.609 32.453 31.823 0.034 0.000 0.992 245 V HN 0.729 nan 8.190 nan 0.000 0.471 246 P HA 0.162 nan 4.420 nan 0.000 0.264 246 P C 0.939 178.113 177.300 -0.210 0.000 1.193 246 P CA 1.260 64.056 63.100 -0.507 0.000 0.763 246 P CB 0.530 31.715 31.700 -0.858 0.000 0.810 247 G N 2.478 111.208 108.800 -0.117 0.000 2.155 247 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 247 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 247 G C 0.707 175.613 174.900 0.009 0.000 0.983 247 G CA 0.642 45.722 45.100 -0.034 0.000 0.676 247 G HN 0.642 nan 8.290 nan 0.000 0.528 248 T N -1.994 112.584 114.554 0.041 0.000 3.105 248 T HA 0.398 4.748 4.350 -0.000 0.000 0.253 248 T C 0.524 175.298 174.700 0.123 0.000 1.047 248 T CA 0.322 62.466 62.100 0.073 0.000 0.944 248 T CB 0.347 69.265 68.868 0.083 0.000 1.016 248 T HN 0.473 nan 8.240 nan 0.000 0.544 249 E N 2.064 122.332 120.200 0.113 0.000 2.324 249 E HA 0.201 4.551 4.350 -0.000 0.000 0.271 249 E C -0.387 176.271 176.600 0.096 0.000 1.028 249 E CA 0.052 56.523 56.400 0.119 0.000 0.890 249 E CB 0.834 30.578 29.700 0.072 0.000 1.004 249 E HN 0.527 nan 8.360 nan 0.000 0.431 250 Q N 2.194 122.060 119.800 0.109 0.000 2.315 250 Q HA 0.238 4.578 4.340 -0.000 0.000 0.273 250 Q C -1.449 174.598 176.000 0.078 0.000 1.053 250 Q CA -0.652 55.197 55.803 0.078 0.000 0.817 250 Q CB 2.080 30.857 28.738 0.066 0.000 1.326 250 Q HN 0.324 nan 8.270 nan 0.000 0.423 251 V N 4.028 123.979 119.914 0.061 0.000 2.326 251 V HA 0.011 4.131 4.120 -0.000 0.000 0.249 251 V C 1.174 177.296 176.094 0.046 0.000 1.114 251 V CA 0.799 63.132 62.300 0.056 0.000 1.028 251 V CB 0.241 32.092 31.823 0.047 0.000 1.170 251 V HN 0.907 nan 8.190 nan 0.000 0.494 252 S N 2.982 118.712 115.700 0.049 0.000 2.436 252 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 252 S C 0.723 175.342 174.600 0.031 0.000 1.014 252 S CA 0.235 58.457 58.200 0.037 0.000 0.950 252 S CB 0.081 63.303 63.200 0.036 0.000 0.784 252 S HN 0.720 nan 8.310 nan 0.000 0.504 253 Q N 0.837 120.658 119.800 0.035 0.000 2.274 253 Q HA 0.375 4.715 4.340 -0.000 0.000 0.268 253 Q C -1.448 174.570 176.000 0.031 0.000 1.015 253 Q CA -0.672 55.149 55.803 0.029 0.000 0.775 253 Q CB 1.485 30.240 28.738 0.028 0.000 1.256 253 Q HN 0.198 nan 8.270 nan 0.000 0.442 254 Q N 1.813 121.629 119.800 0.025 0.000 2.364 254 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 254 Q C -0.563 175.450 176.000 0.023 0.000 0.999 254 Q CA 0.431 56.248 55.803 0.024 0.000 0.886 254 Q CB 1.102 29.852 28.738 0.019 0.000 1.243 254 Q HN 0.667 nan 8.270 nan 0.000 0.415 255 T N 0.293 114.862 114.554 0.025 0.000 2.899 255 T HA 0.558 4.908 4.350 -0.000 0.000 0.295 255 T C -0.463 174.245 174.700 0.014 0.000 1.033 255 T CA -0.746 61.367 62.100 0.022 0.000 1.084 255 T CB 0.715 69.599 68.868 0.026 0.000 0.979 255 T HN 0.321 nan 8.240 nan 0.000 0.532 256 V N 3.649 123.570 119.914 0.010 0.000 2.444 256 V HA 0.347 4.467 4.120 -0.000 0.000 0.294 256 V C -0.204 175.890 176.094 0.001 0.000 1.022 256 V CA -1.048 61.254 62.300 0.004 0.000 0.850 256 V CB 1.577 33.401 31.823 0.002 0.000 0.992 256 V HN 0.965 nan 8.190 nan 0.000 0.426 257 D N 2.907 123.304 120.400 -0.004 0.000 2.357 257 D HA 0.330 4.970 4.640 -0.000 0.000 0.242 257 D C 0.630 176.924 176.300 -0.009 0.000 1.153 257 D CA 0.277 54.273 54.000 -0.007 0.000 0.918 257 D CB 1.612 42.407 40.800 -0.008 0.000 1.181 257 D HN 0.671 nan 8.370 nan 0.000 0.435 258 G N 0.346 109.141 108.800 -0.009 0.000 2.651 258 G HA2 0.214 4.174 3.960 -0.000 0.000 0.260 258 G HA3 0.214 4.174 3.960 -0.000 0.000 0.260 258 G C -0.045 174.853 174.900 -0.004 0.000 1.216 258 G CA -0.432 44.663 45.100 -0.008 0.000 0.913 258 G HN 0.266 nan 8.290 nan 0.000 0.535 259 K N 0.066 120.467 120.400 0.002 0.000 2.098 259 K HA 0.238 4.558 4.320 -0.000 0.000 0.261 259 K C -0.851 175.787 176.600 0.063 0.000 0.987 259 K CA -0.590 55.709 56.287 0.020 0.000 0.916 259 K CB 1.073 33.579 32.500 0.011 0.000 1.039 259 K HN 0.357 nan 8.250 nan 0.000 0.455 260 D N 1.365 121.866 120.400 0.168 0.000 2.256 260 D HA 0.154 4.794 4.640 -0.000 0.000 0.250 260 D C -0.719 175.729 176.300 0.246 0.000 1.093 260 D CA -0.250 53.864 54.000 0.190 0.000 0.882 260 D CB 1.619 42.684 40.800 0.441 0.000 1.185 260 D HN 0.012 nan 8.370 nan 0.000 0.437 261 V N 3.682 123.656 119.914 0.099 0.000 2.328 261 V HA 0.119 4.239 4.120 -0.000 0.000 0.278 261 V C -0.671 175.531 176.094 0.179 0.000 1.021 261 V CA -0.728 61.670 62.300 0.163 0.000 0.838 261 V CB 0.265 32.139 31.823 0.085 0.000 0.999 261 V HN 0.367 nan 8.190 nan 0.000 0.447 262 Y N 3.708 124.122 120.300 0.189 0.000 2.535 262 Y HA 0.357 4.907 4.550 -0.000 0.000 0.349 262 Y C 1.415 177.429 175.900 0.189 0.000 0.992 262 Y CA -0.529 57.704 58.100 0.223 0.000 1.248 262 Y CB 0.832 39.405 38.460 0.188 0.000 1.124 262 Y HN 0.785 nan 8.280 nan 0.000 0.520 263 T N -2.293 112.440 114.554 0.298 0.000 2.698 263 T HA 0.068 4.418 4.350 -0.000 0.000 0.295 263 T C 1.292 176.174 174.700 0.304 0.000 1.007 263 T CA 0.032 62.323 62.100 0.319 0.000 0.980 263 T CB 0.895 69.969 68.868 0.343 0.000 1.036 263 T HN 0.627 nan 8.240 nan 0.000 0.526 264 T N -1.527 113.216 114.554 0.314 0.000 3.081 264 T HA 0.245 4.595 4.350 -0.000 0.000 0.250 264 T C 1.048 175.896 174.700 0.247 0.000 1.100 264 T CA -0.509 61.744 62.100 0.256 0.000 1.038 264 T CB -0.228 68.784 68.868 0.240 0.000 0.962 264 T HN 0.494 nan 8.240 nan 0.000 0.516 265 I N 2.755 123.499 120.570 0.290 0.000 2.872 265 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 265 I C 0.689 176.946 176.117 0.233 0.000 1.216 265 I CA 0.256 61.710 61.300 0.256 0.000 1.424 265 I CB 0.576 38.775 38.000 0.331 0.000 1.351 265 I HN 0.244 nan 8.210 nan 0.000 0.592 266 S N 3.872 119.683 115.700 0.186 0.000 2.426 266 S HA 0.212 4.681 4.470 -0.000 0.000 0.236 266 S C 1.229 175.949 174.600 0.200 0.000 1.368 266 S CA -0.268 58.038 58.200 0.176 0.000 1.154 266 S CB 0.270 63.548 63.200 0.130 0.000 1.037 266 S HN 0.701 nan 8.310 nan 0.000 0.481 267 S N 5.777 121.662 115.700 0.309 0.000 2.390 267 S HA -0.150 4.320 4.470 -0.000 0.000 0.234 267 S C -0.566 174.219 174.600 0.308 0.000 1.063 267 S CA 1.852 60.324 58.200 0.453 0.000 1.108 267 S CB -2.107 61.307 63.200 0.356 0.000 0.975 267 S HN 0.697 nan 8.310 nan 0.000 0.442 268 P HA -0.069 nan 4.420 nan 0.000 0.215 268 P C 1.701 179.078 177.300 0.129 0.000 1.157 268 P CA 0.931 64.108 63.100 0.128 0.000 0.868 268 P CB -0.163 31.578 31.700 0.067 0.000 0.788 269 L N -0.239 121.050 121.223 0.109 0.000 2.056 269 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 269 L C 2.886 179.805 176.870 0.081 0.000 1.078 269 L CA 1.867 56.769 54.840 0.102 0.000 0.749 269 L CB -1.655 40.433 42.059 0.048 0.000 0.901 269 L HN -0.071 nan 8.230 nan 0.000 0.433 270 Q N -0.773 119.042 119.800 0.024 0.000 2.079 270 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 270 Q C 2.359 178.283 176.000 -0.127 0.000 0.974 270 Q CA 2.127 57.831 55.803 -0.165 0.000 0.840 270 Q CB -0.304 28.164 28.738 -0.450 0.000 0.898 270 Q HN 0.638 nan 8.270 nan 0.000 0.430 271 S N -0.346 115.407 115.700 0.089 0.000 2.368 271 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 271 S C 1.845 176.564 174.600 0.198 0.000 1.030 271 S CA 1.068 59.390 58.200 0.203 0.000 0.999 271 S CB -0.907 62.469 63.200 0.292 0.000 0.844 271 S HN 0.442 nan 8.310 nan 0.000 0.459 272 F N 2.490 122.445 119.950 0.007 0.000 2.075 272 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 272 F C 2.460 178.243 175.800 -0.028 0.000 1.113 272 F CA 1.417 59.407 58.000 -0.016 0.000 1.218 272 F CB -0.862 38.111 39.000 -0.045 0.000 0.984 272 F HN 0.261 nan 8.300 nan 0.000 0.472 273 M N -0.008 119.546 119.600 -0.077 0.000 2.144 273 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 273 M C 2.011 178.280 176.300 -0.052 0.000 1.067 273 M CA 1.880 57.079 55.300 -0.168 0.000 1.095 273 M CB -0.328 32.206 32.600 -0.110 0.000 1.365 273 M HN 0.062 nan 8.290 nan 0.000 0.406 274 E N -0.211 119.972 120.200 -0.028 0.000 2.077 274 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 274 E C 1.979 178.595 176.600 0.027 0.000 0.989 274 E CA 1.885 58.285 56.400 -0.000 0.000 0.800 274 E CB -0.644 29.065 29.700 0.016 0.000 0.746 274 E HN 0.555 nan 8.360 nan 0.000 0.452 275 T N 1.878 116.455 114.554 0.038 0.000 2.614 275 T HA -0.161 4.189 4.350 -0.000 0.000 0.263 275 T C 1.810 176.519 174.700 0.014 0.000 1.055 275 T CA 1.325 63.456 62.100 0.050 0.000 1.162 275 T CB -0.125 68.819 68.868 0.126 0.000 0.863 275 T HN 0.098 nan 8.240 nan 0.000 0.414 276 Q N 0.522 120.266 119.800 -0.094 0.000 2.029 276 Q HA -0.172 4.168 4.340 -0.000 0.000 0.209 276 Q C 2.337 178.474 176.000 0.228 0.000 0.999 276 Q CA 1.605 57.401 55.803 -0.012 0.000 0.857 276 Q CB -0.841 27.749 28.738 -0.246 0.000 0.926 276 Q HN 0.417 nan 8.270 nan 0.000 0.415 277 M N 1.507 121.257 119.600 0.250 0.000 2.195 277 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 277 M C 1.099 177.419 176.300 0.034 0.000 1.066 277 M CA 1.627 56.976 55.300 0.081 0.000 1.089 277 M CB -0.406 32.222 32.600 0.046 0.000 1.377 277 M HN 0.078 nan 8.290 nan 0.000 0.411 278 D N -0.119 120.303 120.400 0.038 0.000 2.084 278 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 278 D C 1.961 178.272 176.300 0.018 0.000 0.985 278 D CA 1.797 55.804 54.000 0.011 0.000 0.826 278 D CB -0.400 40.410 40.800 0.017 0.000 0.978 278 D HN 0.489 nan 8.370 nan 0.000 0.456 279 A N 1.127 123.979 122.820 0.054 0.000 1.865 279 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 279 A C 2.132 179.768 177.584 0.087 0.000 1.191 279 A CA 1.228 53.302 52.037 0.062 0.000 0.623 279 A CB -1.149 17.897 19.000 0.076 0.000 0.826 279 A HN 0.196 nan 8.150 nan 0.000 0.444 280 F N 0.813 120.709 119.950 -0.091 0.000 2.063 280 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 280 F C 2.459 178.146 175.800 -0.187 0.000 1.109 280 F CA 2.381 60.275 58.000 -0.177 0.000 1.212 280 F CB -0.832 37.939 39.000 -0.381 0.000 0.973 280 F HN 0.383 nan 8.300 nan 0.000 0.480 281 Q N 0.510 120.198 119.800 -0.187 0.000 2.181 281 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 281 Q C 2.062 177.940 176.000 -0.205 0.000 0.980 281 Q CA 2.032 57.673 55.803 -0.269 0.000 0.862 281 Q CB -0.475 28.163 28.738 -0.167 0.000 0.905 281 Q HN 0.467 nan 8.270 nan 0.000 0.429 282 E N 0.263 120.395 120.200 -0.114 0.000 2.031 282 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 282 E C 1.582 178.140 176.600 -0.070 0.000 0.994 282 E CA 1.903 58.259 56.400 -0.074 0.000 0.800 282 E CB -0.037 29.644 29.700 -0.031 0.000 0.752 282 E HN 0.481 nan 8.360 nan 0.000 0.447 283 K N -0.283 120.074 120.400 -0.072 0.000 1.973 283 K HA -0.106 4.214 4.320 -0.000 0.000 0.212 283 K C 2.155 178.731 176.600 -0.041 0.000 1.047 283 K CA 1.926 58.190 56.287 -0.039 0.000 0.937 283 K CB -0.420 32.062 32.500 -0.031 0.000 0.721 283 K HN 0.239 nan 8.250 nan 0.000 0.440 284 V N -1.442 118.308 119.914 -0.274 0.000 3.306 284 V HA 0.072 4.192 4.120 -0.000 0.000 0.264 284 V C 0.103 175.947 176.094 -0.418 0.000 1.149 284 V CA 0.007 62.082 62.300 -0.374 0.000 1.143 284 V CB -0.573 30.875 31.823 -0.625 0.000 0.767 284 V HN 0.229 nan 8.190 nan 0.000 0.476 285 K N 1.384 121.586 120.400 -0.329 0.000 3.311 285 K HA -0.164 4.156 4.320 -0.000 0.000 0.270 285 K C 0.610 177.033 176.600 -0.294 0.000 0.927 285 K CA 1.067 57.186 56.287 -0.281 0.000 0.706 285 K CB -1.953 30.397 32.500 -0.250 0.000 1.418 285 K HN 0.879 nan 8.250 nan 0.000 0.459 286 G N 0.389 109.007 108.800 -0.303 0.000 2.395 286 G HA2 0.201 4.161 3.960 -0.000 0.000 0.283 286 G HA3 0.201 4.161 3.960 -0.000 0.000 0.283 286 G C 1.026 175.783 174.900 -0.238 0.000 1.178 286 G CA -0.476 44.477 45.100 -0.246 0.000 0.837 286 G HN 0.248 nan 8.290 nan 0.000 0.518 287 K N 0.256 120.508 120.400 -0.247 0.000 2.103 287 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 287 K C -0.423 175.784 176.600 -0.655 0.000 1.048 287 K CA 1.160 57.182 56.287 -0.442 0.000 0.930 287 K CB -0.117 32.122 32.500 -0.435 0.000 0.716 287 K HN 0.511 nan 8.250 nan 0.000 0.444 288 Y N -0.505 119.731 120.300 -0.107 0.000 2.421 288 Y HA 0.347 4.897 4.550 -0.000 0.000 0.339 288 Y C -0.288 175.532 175.900 -0.134 0.000 0.996 288 Y CA -1.178 56.852 58.100 -0.116 0.000 1.046 288 Y CB 1.698 40.088 38.460 -0.117 0.000 1.226 288 Y HN -0.152 nan 8.280 nan 0.000 0.445 289 M N 2.113 121.727 119.600 0.024 0.000 2.664 289 M HA 0.721 5.201 4.480 -0.000 0.000 0.314 289 M C -0.755 175.513 176.300 -0.054 0.000 1.200 289 M CA -0.577 54.688 55.300 -0.058 0.000 0.916 289 M CB 2.094 34.625 32.600 -0.115 0.000 1.717 289 M HN 0.646 nan 8.290 nan 0.000 0.470 290 T N 1.191 115.699 114.554 -0.077 0.000 3.159 290 T HA 0.761 5.110 4.350 -0.000 0.000 0.343 290 T C -1.691 172.977 174.700 -0.054 0.000 1.364 290 T CA -0.719 61.334 62.100 -0.078 0.000 1.102 290 T CB 2.129 70.919 68.868 -0.130 0.000 1.263 290 T HN 0.817 nan 8.240 nan 0.000 0.477 291 A N 2.116 124.937 122.820 0.002 0.000 2.491 291 A HA 0.782 5.102 4.320 -0.000 0.000 0.293 291 A C -0.759 176.857 177.584 0.054 0.000 1.047 291 A CA -0.717 51.370 52.037 0.084 0.000 0.735 291 A CB 1.535 20.698 19.000 0.271 0.000 1.281 291 A HN 0.648 nan 8.150 nan 0.000 0.398 292 T N 2.232 116.833 114.554 0.078 0.000 2.928 292 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 292 T C -1.260 173.487 174.700 0.079 0.000 1.000 292 T CA -0.298 61.832 62.100 0.049 0.000 0.989 292 T CB 1.293 70.201 68.868 0.066 0.000 1.005 292 T HN 0.849 nan 8.240 nan 0.000 0.442 293 L N 4.910 126.158 121.223 0.041 0.000 2.277 293 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 293 L C -0.887 176.044 176.870 0.102 0.000 1.028 293 L CA -0.392 54.489 54.840 0.067 0.000 0.835 293 L CB 0.717 42.787 42.059 0.019 0.000 1.215 293 L HN 0.466 nan 8.230 nan 0.000 0.425 294 V N 3.361 123.355 119.914 0.132 0.000 2.612 294 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 294 V C 0.429 176.614 176.094 0.152 0.000 1.046 294 V CA -0.589 61.791 62.300 0.133 0.000 0.946 294 V CB 1.823 33.717 31.823 0.118 0.000 1.003 294 V HN 0.800 nan 8.190 nan 0.000 0.459 295 S N 3.587 119.362 115.700 0.125 0.000 2.494 295 S HA 0.316 4.785 4.470 -0.000 0.000 0.312 295 S C 1.435 176.033 174.600 -0.003 0.000 1.121 295 S CA -0.079 58.157 58.200 0.060 0.000 1.068 295 S CB 0.334 63.571 63.200 0.062 0.000 1.141 295 S HN 1.008 nan 8.310 nan 0.000 0.527 296 A N 5.902 128.692 122.820 -0.051 0.000 1.954 296 A HA -0.228 4.092 4.320 -0.000 0.000 0.222 296 A C 2.081 179.644 177.584 -0.036 0.000 1.199 296 A CA 2.116 54.128 52.037 -0.042 0.000 0.657 296 A CB -0.495 18.451 19.000 -0.090 0.000 0.823 296 A HN 0.840 nan 8.150 nan 0.000 0.463 297 K N -1.615 118.744 120.400 -0.068 0.000 2.365 297 K HA -0.009 4.311 4.320 -0.000 0.000 0.197 297 K C 1.887 178.482 176.600 -0.009 0.000 1.042 297 K CA 1.344 57.606 56.287 -0.041 0.000 0.987 297 K CB 0.049 32.510 32.500 -0.065 0.000 0.779 297 K HN 0.783 nan 8.250 nan 0.000 0.484 298 T N -4.755 109.800 114.554 0.001 0.000 2.999 298 T HA 0.218 4.567 4.350 -0.000 0.000 0.247 298 T C 1.506 176.232 174.700 0.044 0.000 1.012 298 T CA 0.488 62.603 62.100 0.024 0.000 1.048 298 T CB 0.768 69.653 68.868 0.029 0.000 1.020 298 T HN 0.206 nan 8.240 nan 0.000 0.478 299 G N 1.599 110.430 108.800 0.052 0.000 2.175 299 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 299 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 299 G C -0.229 174.732 174.900 0.103 0.000 0.982 299 G CA -0.025 45.118 45.100 0.073 0.000 0.641 299 G HN 0.675 nan 8.290 nan 0.000 0.527 300 E N 0.158 120.420 120.200 0.103 0.000 2.384 300 E HA 0.385 4.735 4.350 -0.000 0.000 0.266 300 E C 0.446 177.139 176.600 0.156 0.000 1.012 300 E CA -0.195 56.288 56.400 0.139 0.000 0.901 300 E CB 1.048 30.823 29.700 0.125 0.000 0.967 300 E HN 0.397 nan 8.360 nan 0.000 0.435 301 I N 4.475 125.163 120.570 0.197 0.000 2.308 301 I HA -0.044 4.126 4.170 -0.000 0.000 0.293 301 I C 1.173 177.374 176.117 0.141 0.000 1.078 301 I CA 0.013 61.403 61.300 0.151 0.000 1.292 301 I CB 0.347 38.430 38.000 0.137 0.000 1.423 301 I HN 0.492 nan 8.210 nan 0.000 0.493 302 L N 6.318 127.611 121.223 0.118 0.000 2.240 302 L HA 0.250 4.590 4.340 -0.000 0.000 0.211 302 L C 0.879 177.785 176.870 0.060 0.000 1.106 302 L CA 0.317 55.227 54.840 0.116 0.000 0.793 302 L CB -0.213 41.927 42.059 0.136 0.000 0.927 302 L HN 0.755 nan 8.230 nan 0.000 0.446 303 A N -1.240 121.580 122.820 -0.000 0.000 2.590 303 A HA 0.586 4.905 4.320 -0.000 0.000 0.296 303 A C -0.772 176.738 177.584 -0.123 0.000 1.050 303 A CA -0.268 51.725 52.037 -0.074 0.000 0.697 303 A CB 1.524 20.482 19.000 -0.069 0.000 1.277 303 A HN -0.132 nan 8.150 nan 0.000 0.411 304 T N -0.208 114.231 114.554 -0.192 0.000 2.885 304 T HA 0.818 5.168 4.350 -0.000 0.000 0.322 304 T C -1.085 173.522 174.700 -0.156 0.000 1.387 304 T CA 0.514 62.497 62.100 -0.194 0.000 1.041 304 T CB 1.825 70.470 68.868 -0.373 0.000 1.287 304 T HN 2.259 nan 8.240 nan 0.000 0.491 305 T N 1.727 116.227 114.554 -0.090 0.000 2.907 305 T HA 0.587 4.936 4.350 -0.000 0.000 0.344 305 T C -2.134 172.541 174.700 -0.043 0.000 1.675 305 T CA -0.431 61.629 62.100 -0.067 0.000 1.076 305 T CB 1.600 70.426 68.868 -0.071 0.000 1.483 305 T HN 1.023 nan 8.240 nan 0.000 0.487 306 Q N 2.103 121.878 119.800 -0.042 0.000 2.615 306 Q HA 0.846 5.185 4.340 -0.000 0.000 0.298 306 Q C -1.480 174.503 176.000 -0.029 0.000 1.023 306 Q CA -1.298 54.485 55.803 -0.033 0.000 0.768 306 Q CB 1.737 30.460 28.738 -0.025 0.000 1.500 306 Q HN 0.410 nan 8.270 nan 0.000 0.441 307 R N 0.446 120.942 120.500 -0.007 0.000 2.574 307 R HA 0.526 4.866 4.340 -0.000 0.000 0.288 307 R C -2.777 173.559 176.300 0.059 0.000 1.004 307 R CA -2.042 54.054 56.100 -0.005 0.000 0.895 307 R CB 1.655 31.920 30.300 -0.057 0.000 1.191 307 R HN 0.591 nan 8.270 nan 0.000 0.444 308 P HA 0.174 nan 4.420 nan 0.000 0.270 308 P C -0.120 177.256 177.300 0.127 0.000 1.223 308 P CA 0.150 63.318 63.100 0.114 0.000 0.785 308 P CB 0.755 32.607 31.700 0.253 0.000 0.923 309 T N -0.794 113.767 114.554 0.011 0.000 2.551 309 T HA 0.842 5.192 4.350 -0.000 0.000 0.249 309 T C -0.665 173.902 174.700 -0.222 0.000 0.851 309 T CA -0.512 61.488 62.100 -0.168 0.000 1.149 309 T CB 0.671 69.404 68.868 -0.225 0.000 1.456 309 T HN 0.474 nan 8.240 nan 0.000 0.514 310 F N -1.763 118.092 119.950 -0.158 0.000 2.842 310 F HA 0.611 5.138 4.527 -0.000 0.000 0.319 310 F C -2.233 173.511 175.800 -0.093 0.000 1.159 310 F CA -1.374 56.497 58.000 -0.215 0.000 0.902 310 F CB 0.494 39.276 39.000 -0.363 0.000 1.311 310 F HN 0.526 nan 8.300 nan 0.000 0.453 311 D N 1.342 121.911 120.400 0.282 0.000 2.313 311 D HA 0.478 5.117 4.640 -0.000 0.000 0.239 311 D C 1.002 177.483 176.300 0.303 0.000 1.142 311 D CA 0.482 54.603 54.000 0.202 0.000 0.847 311 D CB 2.059 42.924 40.800 0.109 0.000 1.082 311 D HN 0.882 nan 8.370 nan 0.000 0.480 312 A N 3.926 126.912 122.820 0.277 0.000 1.908 312 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 312 A C 1.745 179.338 177.584 0.015 0.000 1.181 312 A CA 1.634 53.736 52.037 0.108 0.000 0.627 312 A CB -0.136 18.809 19.000 -0.092 0.000 0.818 312 A HN 0.620 nan 8.150 nan 0.000 0.445 313 D N -1.780 118.711 120.400 0.151 0.000 2.349 313 D HA -0.021 4.619 4.640 -0.000 0.000 0.215 313 D C 1.503 177.871 176.300 0.113 0.000 1.016 313 D CA 1.476 55.590 54.000 0.191 0.000 0.870 313 D CB 0.142 41.050 40.800 0.180 0.000 0.917 313 D HN 0.496 nan 8.370 nan 0.000 0.524 314 T N -3.901 110.701 114.554 0.079 0.000 3.087 314 T HA 0.135 4.484 4.350 -0.000 0.000 0.283 314 T C 0.624 175.330 174.700 0.011 0.000 0.956 314 T CA -0.400 61.727 62.100 0.045 0.000 0.894 314 T CB 0.229 69.121 68.868 0.041 0.000 1.160 314 T HN -0.140 nan 8.240 nan 0.000 0.532 315 K N -0.001 120.393 120.400 -0.009 0.000 3.193 315 K HA -0.154 4.166 4.320 -0.000 0.000 0.294 315 K C 0.130 176.676 176.600 -0.089 0.000 1.185 315 K CA 1.465 57.693 56.287 -0.099 0.000 0.866 315 K CB -2.818 29.629 32.500 -0.088 0.000 1.227 315 K HN 0.956 nan 8.250 nan 0.000 0.467 316 E N 0.684 120.870 120.200 -0.024 0.000 2.104 316 E HA 0.465 4.814 4.350 -0.000 0.000 0.278 316 E C 1.252 177.825 176.600 -0.046 0.000 1.127 316 E CA 0.598 56.980 56.400 -0.030 0.000 0.897 316 E CB 0.024 29.724 29.700 -0.000 0.000 1.043 316 E HN 0.623 nan 8.360 nan 0.000 0.410 317 G N 1.877 110.599 108.800 -0.130 0.000 3.006 317 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.195 317 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.195 317 G C 0.533 175.146 174.900 -0.479 0.000 1.034 317 G CA -0.236 44.722 45.100 -0.237 0.000 0.807 317 G HN 0.719 nan 8.290 nan 0.000 0.469 318 I N 3.990 124.297 120.570 -0.438 0.000 2.574 318 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 318 I C 1.460 177.478 176.117 -0.164 0.000 1.131 318 I CA 0.866 61.915 61.300 -0.419 0.000 1.352 318 I CB 0.247 38.108 38.000 -0.232 0.000 1.431 318 I HN 0.424 nan 8.210 nan 0.000 0.543 319 T N 1.012 115.500 114.554 -0.111 0.000 2.864 319 T HA 0.470 4.820 4.350 -0.000 0.000 0.276 319 T C 1.228 175.995 174.700 0.112 0.000 1.006 319 T CA 0.115 62.222 62.100 0.011 0.000 0.970 319 T CB 1.224 70.098 68.868 0.011 0.000 1.420 319 T HN 0.487 nan 8.240 nan 0.000 0.601 320 E N -0.193 120.064 120.200 0.095 0.000 2.016 320 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 320 E C 2.012 178.694 176.600 0.137 0.000 0.985 320 E CA 1.789 58.255 56.400 0.110 0.000 0.802 320 E CB -1.744 nan 29.700 nan 0.000 0.762 320 E HN 0.947 nan 8.360 nan 0.000 0.448 321 D N -0.661 119.806 120.400 0.111 0.000 2.340 321 D HA 0.318 4.958 4.640 -0.000 0.000 0.220 321 D C 0.631 176.992 176.300 0.102 0.000 1.039 321 D CA -0.051 54.008 54.000 0.097 0.000 0.866 321 D CB -0.611 nan 40.800 nan 0.000 0.913 321 D HN 0.396 nan 8.370 nan 0.000 0.523 322 F N 1.168 121.087 119.950 -0.051 0.000 2.623 322 F HA 0.279 4.806 4.527 -0.000 0.000 0.383 322 F C 0.372 176.033 175.800 -0.232 0.000 1.077 322 F CA -0.535 57.361 58.000 -0.175 0.000 1.268 322 F CB 0.677 39.498 39.000 -0.299 0.000 1.053 322 F HN -0.011 nan 8.300 nan 0.000 0.571 323 V N 8.106 127.460 119.914 -0.933 0.000 2.465 323 V HA -0.049 4.071 4.120 -0.000 0.000 0.279 323 V C 0.105 175.514 176.094 -1.142 0.000 1.045 323 V CA -0.281 61.592 62.300 -0.711 0.000 0.938 323 V CB 1.192 32.804 31.823 -0.351 0.000 0.986 323 V HN 0.989 nan 8.190 nan 0.000 0.467 324 W N 1.779 122.835 121.300 -0.405 0.000 3.077 324 W HA 0.097 4.757 4.660 -0.000 0.000 0.266 324 W C 1.354 177.763 176.519 -0.184 0.000 1.300 324 W CA -0.498 56.699 57.345 -0.247 0.000 1.586 324 W CB 0.193 29.609 29.460 -0.073 0.000 1.103 324 W HN 0.397 nan 8.180 nan 0.000 0.652 325 R N 1.429 121.896 120.500 -0.054 0.000 2.585 325 R HA -0.002 4.338 4.340 -0.000 0.000 0.275 325 R C -0.333 175.842 176.300 -0.207 0.000 1.018 325 R CA -0.365 55.643 56.100 -0.154 0.000 1.072 325 R CB -0.082 30.096 30.300 -0.203 0.000 0.953 325 R HN -0.063 nan 8.270 nan 0.000 0.419 326 D N 1.331 121.546 120.400 -0.307 0.000 2.359 326 D HA 0.201 4.841 4.640 -0.000 0.000 0.230 326 D C 1.260 177.352 176.300 -0.346 0.000 1.118 326 D CA -0.541 53.305 54.000 -0.257 0.000 0.844 326 D CB 0.568 41.230 40.800 -0.229 0.000 1.059 326 D HN 0.526 nan 8.370 nan 0.000 0.493 327 I N 3.257 123.694 120.570 -0.223 0.000 2.315 327 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 327 I C 2.252 178.307 176.117 -0.104 0.000 1.125 327 I CA 0.493 61.665 61.300 -0.214 0.000 1.392 327 I CB -0.175 37.696 38.000 -0.216 0.000 1.065 327 I HN 0.411 nan 8.210 nan 0.000 0.424 328 L N 1.295 122.523 121.223 0.007 0.000 2.189 328 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 328 L C 1.634 178.660 176.870 0.260 0.000 1.097 328 L CA 2.061 56.999 54.840 0.164 0.000 0.764 328 L CB -0.552 41.675 42.059 0.281 0.000 0.900 328 L HN 0.601 nan 8.230 nan 0.000 0.436 329 Y N -4.024 116.293 120.300 0.030 0.000 3.024 329 Y HA 0.426 4.976 4.550 -0.000 0.000 0.283 329 Y C 0.495 176.315 175.900 -0.134 0.000 1.040 329 Y CA -0.670 57.446 58.100 0.028 0.000 1.283 329 Y CB -1.009 37.561 38.460 0.182 0.000 1.367 329 Y HN 0.216 nan 8.280 nan 0.000 0.589 330 Q N 1.326 120.707 119.800 -0.698 0.000 2.158 330 Q HA 0.390 4.730 4.340 -0.000 0.000 0.306 330 Q C -0.475 174.834 176.000 -1.151 0.000 0.878 330 Q CA -0.150 54.871 55.803 -1.302 0.000 1.136 330 Q CB 1.437 29.535 28.738 -1.067 0.000 1.253 330 Q HN 0.238 nan 8.270 nan 0.000 0.441 331 S N 0.924 116.376 115.700 -0.414 0.000 2.668 331 S HA 0.375 4.845 4.470 -0.000 0.000 0.277 331 S C -1.434 173.360 174.600 0.324 0.000 1.170 331 S CA -0.688 57.529 58.200 0.027 0.000 0.994 331 S CB 0.732 63.870 63.200 -0.103 0.000 1.051 331 S HN 0.173 nan 8.310 nan 0.000 0.484 332 N N 4.365 123.309 118.700 0.408 0.000 2.414 332 N HA 0.434 5.174 4.740 -0.000 0.000 0.256 332 N C -0.915 174.761 175.510 0.277 0.000 1.029 332 N CA -0.047 53.182 53.050 0.298 0.000 0.948 332 N CB 0.916 39.510 38.487 0.179 0.000 1.102 332 N HN 0.744 nan 8.380 nan 0.000 0.496 333 Y N -1.248 119.088 120.300 0.060 0.000 2.638 333 Y HA 0.507 5.056 4.550 -0.000 0.000 0.339 333 Y C -0.496 175.419 175.900 0.025 0.000 1.084 333 Y CA -1.439 56.682 58.100 0.034 0.000 1.068 333 Y CB 0.828 39.302 38.460 0.024 0.000 1.294 333 Y HN 0.181 nan 8.280 nan 0.000 0.480 334 E N 4.307 124.517 120.200 0.017 0.000 2.001 334 E HA 0.168 4.518 4.350 -0.000 0.000 0.279 334 E C -1.880 174.680 176.600 -0.066 0.000 1.045 334 E CA -1.988 54.353 56.400 -0.098 0.000 0.833 334 E CB 1.018 30.717 29.700 -0.002 0.000 1.077 334 E HN 0.513 nan 8.360 nan 0.000 0.397 335 P HA -0.263 nan 4.420 nan 0.000 0.217 335 P C 0.925 178.269 177.300 0.072 0.000 1.151 335 P CA 1.796 64.862 63.100 -0.056 0.000 0.849 335 P CB 0.302 31.887 31.700 -0.192 0.000 0.787 336 G N -0.554 108.221 108.800 -0.043 0.000 2.498 336 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 336 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 336 G C 0.980 175.882 174.900 0.002 0.000 1.170 336 G CA 0.337 45.411 45.100 -0.044 0.000 0.944 336 G HN 0.221 nan 8.290 nan 0.000 0.567 337 S N 0.923 116.640 115.700 0.029 0.000 2.562 337 S HA 0.075 4.545 4.470 -0.000 0.000 0.221 337 S C 2.382 177.018 174.600 0.061 0.000 0.975 337 S CA 1.923 60.150 58.200 0.045 0.000 0.918 337 S CB -0.250 62.946 63.200 -0.006 0.000 0.772 337 S HN 1.308 nan 8.310 nan 0.000 0.531 338 T N -0.007 114.619 114.554 0.119 0.000 3.035 338 T HA 0.035 4.384 4.350 -0.000 0.000 0.268 338 T C 1.597 176.392 174.700 0.158 0.000 1.109 338 T CA 0.598 62.819 62.100 0.201 0.000 1.119 338 T CB -0.368 68.731 68.868 0.385 0.000 0.900 338 T HN 0.228 nan 8.240 nan 0.000 0.503 339 M N 1.726 121.359 119.600 0.056 0.000 2.279 339 M HA 0.073 4.553 4.480 -0.000 0.000 0.264 339 M C 1.851 178.183 176.300 0.054 0.000 1.062 339 M CA 1.274 56.566 55.300 -0.014 0.000 1.099 339 M CB -0.613 31.945 32.600 -0.071 0.000 1.394 339 M HN 0.092 nan 8.290 nan 0.000 0.426 340 K N -1.020 119.432 120.400 0.086 0.000 2.281 340 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 340 K C 1.693 178.433 176.600 0.233 0.000 1.046 340 K CA 1.244 57.605 56.287 0.123 0.000 0.938 340 K CB -0.362 32.198 32.500 0.100 0.000 0.737 340 K HN 0.272 nan 8.250 nan 0.000 0.458 341 V N 0.805 120.856 119.914 0.229 0.000 2.515 341 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 341 V C 2.013 178.144 176.094 0.062 0.000 1.058 341 V CA 1.481 63.925 62.300 0.241 0.000 1.064 341 V CB -0.292 31.708 31.823 0.295 0.000 0.675 341 V HN 0.280 nan 8.190 nan 0.000 0.461 342 M N -1.337 118.258 119.600 -0.008 0.000 2.236 342 M HA 0.014 4.493 4.480 -0.000 0.000 0.266 342 M C 1.977 178.324 176.300 0.078 0.000 1.070 342 M CA 1.609 56.837 55.300 -0.119 0.000 1.137 342 M CB -0.753 31.649 32.600 -0.330 0.000 1.378 342 M HN 0.333 nan 8.290 nan 0.000 0.426 343 M N -0.029 119.588 119.600 0.029 0.000 2.086 343 M HA -0.150 4.329 4.480 -0.000 0.000 0.261 343 M C 1.859 177.981 176.300 -0.296 0.000 1.067 343 M CA 1.720 56.856 55.300 -0.273 0.000 1.116 343 M CB -0.723 31.612 32.600 -0.441 0.000 1.348 343 M HN 0.261 nan 8.290 nan 0.000 0.407 344 L N 0.541 121.590 121.223 -0.290 0.000 1.970 344 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 344 L C 2.377 178.938 176.870 -0.514 0.000 1.071 344 L CA 2.540 57.041 54.840 -0.564 0.000 0.751 344 L CB -1.616 39.948 42.059 -0.824 0.000 0.889 344 L HN 0.370 nan 8.230 nan 0.000 0.432 345 A N -0.337 122.298 122.820 -0.307 0.000 1.892 345 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 345 A C 2.480 179.949 177.584 -0.192 0.000 1.188 345 A CA 2.572 54.502 52.037 -0.179 0.000 0.631 345 A CB -1.426 17.591 19.000 0.029 0.000 0.822 345 A HN 0.678 nan 8.150 nan 0.000 0.447 346 A N -0.161 122.544 122.820 -0.193 0.000 1.873 346 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 346 A C 2.578 179.834 177.584 -0.546 0.000 1.193 346 A CA 2.856 54.542 52.037 -0.584 0.000 0.629 346 A CB -1.338 17.469 19.000 -0.322 0.000 0.826 346 A HN 1.265 nan 8.150 nan 0.000 0.447 347 A N 0.055 122.650 122.820 -0.375 0.000 1.849 347 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 347 A C 2.143 179.634 177.584 -0.155 0.000 1.202 347 A CA 1.867 53.748 52.037 -0.260 0.000 0.629 347 A CB -0.927 17.889 19.000 -0.307 0.000 0.834 347 A HN 0.549 nan 8.150 nan 0.000 0.447 348 I N -0.392 120.043 120.570 -0.225 0.000 2.145 348 I HA -0.334 3.836 4.170 -0.000 0.000 0.244 348 I C 2.358 178.456 176.117 -0.032 0.000 1.075 348 I CA 2.206 63.454 61.300 -0.087 0.000 1.332 348 I CB -0.660 37.232 38.000 -0.180 0.000 1.033 348 I HN 0.516 nan 8.210 nan 0.000 0.410 349 D N 1.098 121.460 120.400 -0.064 0.000 2.104 349 D HA -0.272 4.368 4.640 -0.000 0.000 0.194 349 D C 1.878 178.224 176.300 0.078 0.000 0.994 349 D CA 1.603 55.616 54.000 0.021 0.000 0.830 349 D CB -0.148 40.691 40.800 0.066 0.000 0.959 349 D HN 0.182 nan 8.370 nan 0.000 0.452 350 N N -0.013 118.729 118.700 0.070 0.000 2.573 350 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 350 N C -0.386 175.171 175.510 0.077 0.000 1.107 350 N CA 0.582 53.715 53.050 0.137 0.000 0.918 350 N CB -0.073 38.503 38.487 0.147 0.000 0.966 350 N HN 0.126 nan 8.380 nan 0.000 0.448 351 N N -0.998 117.734 118.700 0.053 0.000 2.754 351 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 351 N C -0.606 174.929 175.510 0.042 0.000 1.093 351 N CA 1.188 54.268 53.050 0.051 0.000 0.699 351 N CB -1.793 36.721 38.487 0.045 0.000 1.016 351 N HN 0.255 nan 8.380 nan 0.000 0.552 352 T N -0.505 114.072 114.554 0.039 0.000 3.380 352 T HA 0.273 4.622 4.350 -0.000 0.000 0.289 352 T C -1.099 173.613 174.700 0.020 0.000 1.012 352 T CA -0.362 61.744 62.100 0.010 0.000 0.944 352 T CB -0.433 68.431 68.868 -0.006 0.000 1.172 352 T HN 0.242 nan 8.240 nan 0.000 0.502 353 F N 4.597 124.469 119.950 -0.129 0.000 2.359 353 F HA 0.523 5.050 4.527 -0.000 0.000 0.370 353 F C -2.395 173.365 175.800 -0.066 0.000 1.077 353 F CA -2.824 55.079 58.000 -0.162 0.000 1.136 353 F CB 1.478 40.364 39.000 -0.189 0.000 1.387 353 F HN 0.010 nan 8.300 nan 0.000 0.468 354 P HA 0.229 nan 4.420 nan 0.000 0.232 354 P C 0.969 178.022 177.300 -0.412 0.000 1.814 354 P CA 0.014 62.951 63.100 -0.272 0.000 1.085 354 P CB 0.795 32.481 31.700 -0.022 0.000 1.901 355 G N 3.116 111.387 108.800 -0.882 0.000 2.556 355 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 355 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 355 G C 1.512 176.302 174.900 -0.185 0.000 1.156 355 G CA 0.975 45.657 45.100 -0.697 0.000 0.766 355 G HN 0.493 nan 8.290 nan 0.000 0.583 356 G N 0.080 108.799 108.800 -0.134 0.000 2.448 356 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 356 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 356 G C 0.735 175.593 174.900 -0.069 0.000 1.135 356 G CA 0.527 45.584 45.100 -0.072 0.000 0.784 356 G HN 0.598 nan 8.290 nan 0.000 0.543 357 E N 0.350 120.525 120.200 -0.041 0.000 2.481 357 E HA 0.207 4.557 4.350 -0.000 0.000 0.263 357 E C -0.472 175.990 176.600 -0.229 0.000 0.992 357 E CA -0.352 56.013 56.400 -0.058 0.000 0.938 357 E CB 0.655 30.408 29.700 0.087 0.000 0.933 357 E HN -0.031 nan 8.360 nan 0.000 0.453 358 V N 4.881 124.665 119.914 -0.216 0.000 2.713 358 V HA 0.528 4.647 4.120 -0.000 0.000 0.307 358 V C -0.263 175.672 176.094 -0.265 0.000 1.052 358 V CA -0.385 61.750 62.300 -0.275 0.000 0.967 358 V CB 0.989 32.687 31.823 -0.209 0.000 1.019 358 V HN 0.647 nan 8.190 nan 0.000 0.459 359 F N 0.282 119.959 119.950 -0.456 0.000 2.685 359 F HA 0.527 5.054 4.527 -0.000 0.000 0.315 359 F C -0.730 174.961 175.800 -0.183 0.000 1.126 359 F CA -1.403 56.407 58.000 -0.316 0.000 0.950 359 F CB 1.824 40.598 39.000 -0.377 0.000 1.360 359 F HN 0.416 nan 8.300 nan 0.000 0.469 360 N N 0.769 119.364 118.700 -0.174 0.000 2.457 360 N HA 0.192 4.932 4.740 -0.000 0.000 0.250 360 N C 0.289 175.753 175.510 -0.077 0.000 0.982 360 N CA 0.143 53.063 53.050 -0.216 0.000 0.941 360 N CB 1.350 39.792 38.487 -0.075 0.000 1.120 360 N HN 0.848 nan 8.380 nan 0.000 0.505 361 S N 1.765 117.318 115.700 -0.245 0.000 2.607 361 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 361 S C 1.858 176.469 174.600 0.018 0.000 0.969 361 S CA 0.671 58.886 58.200 0.025 0.000 0.927 361 S CB -0.218 62.965 63.200 -0.028 0.000 0.772 361 S HN 0.640 nan 8.310 nan 0.000 0.533 362 S N 2.294 117.976 115.700 -0.029 0.000 2.427 362 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 362 S C 0.799 175.399 174.600 -0.000 0.000 1.045 362 S CA 1.153 59.338 58.200 -0.026 0.000 1.154 362 S CB -0.819 62.363 63.200 -0.029 0.000 1.093 362 S HN 0.965 nan 8.310 nan 0.000 0.422 363 E N -0.576 119.636 120.200 0.019 0.000 2.408 363 E HA 0.729 5.079 4.350 -0.000 0.000 0.266 363 E C -1.673 174.950 176.600 0.039 0.000 1.025 363 E CA -1.238 55.176 56.400 0.022 0.000 0.881 363 E CB 1.004 30.712 29.700 0.014 0.000 1.660 363 E HN 0.356 nan 8.360 nan 0.000 0.458 364 L N 0.030 121.270 121.223 0.030 0.000 2.830 364 L HA 0.345 4.685 4.340 -0.000 0.000 0.259 364 L C -1.820 175.069 176.870 0.032 0.000 0.943 364 L CA -0.307 54.553 54.840 0.034 0.000 0.997 364 L CB 1.923 43.999 42.059 0.028 0.000 1.427 364 L HN 0.490 nan 8.230 nan 0.000 0.456 365 K N 5.551 125.972 120.400 0.034 0.000 2.144 365 K HA 0.807 5.127 4.320 -0.000 0.000 0.270 365 K C -0.328 176.295 176.600 0.038 0.000 1.005 365 K CA -0.199 56.109 56.287 0.035 0.000 0.932 365 K CB 1.612 34.130 32.500 0.030 0.000 1.021 365 K HN 0.599 nan 8.250 nan 0.000 0.462 366 I N 1.481 122.077 120.570 0.043 0.000 2.560 366 I HA 0.408 4.578 4.170 -0.000 0.000 0.283 366 I C 0.449 176.592 176.117 0.044 0.000 1.115 366 I CA -0.297 61.030 61.300 0.045 0.000 1.066 366 I CB 1.253 39.286 38.000 0.055 0.000 1.221 366 I HN 0.925 nan 8.210 nan 0.000 0.450 367 A N 5.787 128.629 122.820 0.037 0.000 5.277 367 A HA -0.337 3.983 4.320 -0.000 0.000 0.304 367 A C 0.776 178.380 177.584 0.032 0.000 1.976 367 A CA 1.851 53.908 52.037 0.033 0.000 0.715 367 A CB -1.369 17.652 19.000 0.035 0.000 1.275 367 A HN 0.927 nan 8.150 nan 0.000 0.367 368 D N 0.499 120.919 120.400 0.033 0.000 2.369 368 D HA 0.578 5.218 4.640 -0.000 0.000 0.211 368 D C 0.516 176.840 176.300 0.040 0.000 1.077 368 D CA 0.889 54.908 54.000 0.032 0.000 0.842 368 D CB 0.006 40.823 40.800 0.028 0.000 0.947 368 D HN 1.187 nan 8.370 nan 0.000 0.509 369 A N 0.054 122.903 122.820 0.048 0.000 2.293 369 A HA 0.656 4.976 4.320 -0.000 0.000 0.302 369 A C -0.022 177.598 177.584 0.060 0.000 1.119 369 A CA -0.440 51.633 52.037 0.061 0.000 0.823 369 A CB 0.895 19.941 19.000 0.077 0.000 1.097 369 A HN 0.089 nan 8.150 nan 0.000 0.491 370 T N 2.103 116.696 114.554 0.064 0.000 2.841 370 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 370 T C -0.447 174.290 174.700 0.061 0.000 0.991 370 T CA -0.004 62.128 62.100 0.054 0.000 0.966 370 T CB 0.677 69.570 68.868 0.041 0.000 0.962 370 T HN 0.449 nan 8.240 nan 0.000 0.438 371 I N 2.924 123.520 120.570 0.044 0.000 2.359 371 I HA 0.748 4.918 4.170 -0.000 0.000 0.294 371 I C 0.686 176.791 176.117 -0.021 0.000 0.987 371 I CA -0.626 60.684 61.300 0.015 0.000 1.225 371 I CB 1.040 39.021 38.000 -0.032 0.000 1.366 371 I HN 0.695 nan 8.210 nan 0.000 0.466 372 R N 3.437 123.921 120.500 -0.028 0.000 2.836 372 R HA 0.645 4.985 4.340 -0.000 0.000 0.269 372 R C -1.379 174.902 176.300 -0.031 0.000 1.010 372 R CA -0.845 55.241 56.100 -0.023 0.000 0.930 372 R CB 0.903 31.203 30.300 -0.001 0.000 1.218 372 R HN 0.578 nan 8.270 nan 0.000 0.473 373 D N 0.416 120.805 120.400 -0.018 0.000 2.340 373 D HA 0.269 4.908 4.640 -0.000 0.000 0.251 373 D C 1.359 177.660 176.300 0.002 0.000 1.080 373 D CA -0.260 53.747 54.000 0.011 0.000 0.971 373 D CB 0.611 41.413 40.800 0.002 0.000 1.137 373 D HN 0.722 nan 8.370 nan 0.000 0.475 374 W N 1.393 122.685 121.300 -0.013 0.000 2.355 374 W HA -0.162 4.498 4.660 -0.000 0.000 0.309 374 W C 0.878 177.404 176.519 0.012 0.000 1.206 374 W CA 1.466 58.805 57.345 -0.010 0.000 1.284 374 W CB -0.976 28.467 29.460 -0.029 0.000 1.145 374 W HN 0.308 nan 8.180 nan 0.000 0.502 375 D N 1.216 120.775 120.400 -1.402 0.000 2.224 375 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 375 D C 2.150 178.167 176.300 -0.471 0.000 0.965 375 D CA 1.184 54.477 54.000 -1.178 0.000 0.852 375 D CB -1.064 38.843 40.800 -1.489 0.000 0.947 375 D HN 0.197 nan 8.370 nan 0.000 0.494 376 V N 1.075 120.787 119.914 -0.337 0.000 2.453 376 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 376 V C 1.979 178.012 176.094 -0.102 0.000 1.048 376 V CA 1.637 63.835 62.300 -0.170 0.000 1.049 376 V CB -0.833 30.922 31.823 -0.113 0.000 0.672 376 V HN 0.246 nan 8.190 nan 0.000 0.457 377 N N 0.216 118.872 118.700 -0.074 0.000 2.459 377 N HA -0.072 4.667 4.740 -0.000 0.000 0.181 377 N C 1.543 177.052 175.510 -0.002 0.000 1.046 377 N CA 0.899 53.941 53.050 -0.014 0.000 0.904 377 N CB 0.022 38.525 38.487 0.027 0.000 0.964 377 N HN 0.669 nan 8.380 nan 0.000 0.444 378 E N 0.656 120.841 120.200 -0.026 0.000 2.463 378 E HA 0.228 4.578 4.350 -0.000 0.000 0.193 378 E C 1.182 177.768 176.600 -0.024 0.000 1.041 378 E CA 0.327 56.728 56.400 0.003 0.000 0.879 378 E CB -0.606 29.115 29.700 0.034 0.000 0.997 378 E HN 0.337 nan 8.360 nan 0.000 0.478 379 G N 0.216 108.988 108.800 -0.048 0.000 2.179 379 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 379 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 379 G C 1.174 176.039 174.900 -0.058 0.000 1.010 379 G CA 0.629 45.702 45.100 -0.045 0.000 0.736 379 G HN 0.588 nan 8.290 nan 0.000 0.513 380 L N -0.891 120.276 121.223 -0.093 0.000 2.418 380 L HA 0.320 4.660 4.340 -0.000 0.000 0.218 380 L C 1.414 178.220 176.870 -0.106 0.000 1.125 380 L CA 1.239 56.021 54.840 -0.097 0.000 0.835 380 L CB 0.216 42.194 42.059 -0.136 0.000 0.953 380 L HN 0.426 nan 8.230 nan 0.000 0.454 381 T N -2.163 112.320 114.554 -0.117 0.000 2.677 381 T HA 0.450 4.800 4.350 -0.000 0.000 0.305 381 T C -0.058 174.587 174.700 -0.093 0.000 1.569 381 T CA 0.056 62.093 62.100 -0.104 0.000 0.984 381 T CB 1.450 70.244 68.868 -0.123 0.000 1.629 381 T HN -0.026 nan 8.240 nan 0.000 0.494 382 G N -0.576 108.175 108.800 -0.081 0.000 3.377 382 G HA2 0.530 4.490 3.960 -0.000 0.000 0.257 382 G HA3 0.530 4.490 3.960 -0.000 0.000 0.257 382 G C 0.703 175.560 174.900 -0.071 0.000 1.038 382 G CA 0.228 45.287 45.100 -0.068 0.000 0.809 382 G HN 1.618 nan 8.290 nan 0.000 0.526 383 G N 0.596 109.343 108.800 -0.089 0.000 2.768 383 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.666 383 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.666 383 G C -0.034 174.791 174.900 -0.124 0.000 1.162 383 G CA -0.869 44.174 45.100 -0.096 0.000 1.226 383 G HN 0.538 nan 8.290 nan 0.000 0.535 384 R N 0.868 121.282 120.500 -0.143 0.000 2.783 384 R HA 0.717 5.057 4.340 -0.000 0.000 0.276 384 R C 0.799 176.950 176.300 -0.249 0.000 1.223 384 R CA -0.250 55.754 56.100 -0.160 0.000 1.173 384 R CB 0.274 30.492 30.300 -0.137 0.000 1.157 384 R HN 0.369 nan 8.270 nan 0.000 0.600 385 M N 1.420 120.873 119.600 -0.245 0.000 2.125 385 M HA 0.371 4.851 4.480 -0.000 0.000 0.321 385 M C -0.907 175.181 176.300 -0.354 0.000 0.983 385 M CA 0.054 55.149 55.300 -0.342 0.000 0.934 385 M CB 1.428 33.892 32.600 -0.227 0.000 1.542 385 M HN 0.562 nan 8.290 nan 0.000 0.424 386 M N 1.065 120.315 119.600 -0.584 0.000 2.691 386 M HA 0.563 5.043 4.480 -0.000 0.000 0.293 386 M C 0.266 176.351 176.300 -0.359 0.000 1.259 386 M CA -0.940 54.098 55.300 -0.436 0.000 0.827 386 M CB 2.321 34.680 32.600 -0.402 0.000 1.753 386 M HN 0.638 nan 8.290 nan 0.000 0.465 387 T N -1.408 113.021 114.554 -0.208 0.000 2.771 387 T HA 0.374 4.724 4.350 -0.000 0.000 0.291 387 T C 0.663 175.414 174.700 0.085 0.000 0.954 387 T CA -0.420 61.614 62.100 -0.109 0.000 1.045 387 T CB 0.173 68.987 68.868 -0.091 0.000 0.917 387 T HN 0.445 nan 8.240 nan 0.000 0.484 388 F N 2.972 123.067 119.950 0.243 0.000 2.076 388 F HA -0.240 4.286 4.527 -0.000 0.000 0.294 388 F C 2.889 178.857 175.800 0.280 0.000 1.078 388 F CA 2.264 60.386 58.000 0.203 0.000 1.247 388 F CB -1.367 37.660 39.000 0.045 0.000 0.984 388 F HN 0.620 nan 8.300 nan 0.000 0.491 389 S N -1.028 114.925 115.700 0.420 0.000 2.469 389 S HA -0.205 4.265 4.470 -0.000 0.000 0.238 389 S C 1.785 176.599 174.600 0.357 0.000 0.998 389 S CA 1.180 59.683 58.200 0.505 0.000 0.957 389 S CB -0.314 63.152 63.200 0.443 0.000 0.764 389 S HN 0.576 nan 8.310 nan 0.000 0.514 390 Q N 0.040 119.933 119.800 0.155 0.000 2.259 390 Q HA 0.124 4.464 4.340 -0.000 0.000 0.201 390 Q C 2.567 178.656 176.000 0.148 0.000 0.938 390 Q CA 0.720 56.463 55.803 -0.099 0.000 0.872 390 Q CB -0.412 27.902 28.738 -0.705 0.000 0.971 390 Q HN 0.558 nan 8.270 nan 0.000 0.494 391 G N 1.039 110.033 108.800 0.323 0.000 2.469 391 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.220 391 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.220 391 G C 1.167 176.302 174.900 0.391 0.000 1.136 391 G CA 0.629 46.009 45.100 0.467 0.000 0.759 391 G HN 0.272 nan 8.290 nan 0.000 0.562 392 F N 2.248 122.346 119.950 0.247 0.000 2.031 392 F HA 0.093 4.619 4.527 -0.000 0.000 0.295 392 F C 2.876 178.796 175.800 0.201 0.000 1.133 392 F CA 1.641 59.749 58.000 0.181 0.000 1.188 392 F CB -0.527 38.568 39.000 0.157 0.000 0.974 392 F HN 0.222 nan 8.300 nan 0.000 0.473 393 A N -0.910 122.137 122.820 0.378 0.000 1.917 393 A HA -0.329 3.990 4.320 -0.000 0.000 0.219 393 A C 1.980 179.696 177.584 0.220 0.000 1.182 393 A CA 2.234 54.424 52.037 0.255 0.000 0.633 393 A CB -1.459 17.739 19.000 0.331 0.000 0.819 393 A HN 0.695 nan 8.150 nan 0.000 0.448 394 H N -0.282 118.923 119.070 0.226 0.000 2.547 394 H HA 0.149 4.705 4.556 -0.000 0.000 0.272 394 H C 0.731 176.236 175.328 0.295 0.000 0.989 394 H CA 1.010 57.251 56.048 0.322 0.000 1.214 394 H CB -0.098 29.915 29.762 0.418 0.000 1.389 394 H HN 0.555 nan 8.280 nan 0.000 0.577 395 S N -0.224 115.560 115.700 0.140 0.000 3.829 395 S HA -0.207 4.263 4.470 -0.000 0.000 0.461 395 S C -0.276 174.443 174.600 0.199 0.000 0.849 395 S CA 0.518 58.739 58.200 0.033 0.000 1.323 395 S CB -1.964 61.169 63.200 -0.113 0.000 0.872 395 S HN 0.548 nan 8.310 nan 0.000 0.613 396 S N 2.491 118.316 115.700 0.207 0.000 2.420 396 S HA 0.535 5.005 4.470 -0.000 0.000 0.313 396 S C 1.321 175.928 174.600 0.013 0.000 1.079 396 S CA -0.491 57.839 58.200 0.217 0.000 1.104 396 S CB 0.544 63.981 63.200 0.394 0.000 0.969 396 S HN 0.625 nan 8.310 nan 0.000 0.471 397 N N 4.022 122.649 118.700 -0.122 0.000 2.120 397 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 397 N C 1.845 177.130 175.510 -0.374 0.000 1.024 397 N CA 1.152 53.904 53.050 -0.497 0.000 0.852 397 N CB -0.639 37.330 38.487 -0.862 0.000 1.003 397 N HN 0.481 nan 8.380 nan 0.000 0.424 398 V N 1.252 121.072 119.914 -0.156 0.000 2.252 398 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 398 V C 2.512 178.511 176.094 -0.158 0.000 1.056 398 V CA 2.216 64.486 62.300 -0.050 0.000 1.022 398 V CB -1.399 30.529 31.823 0.175 0.000 0.641 398 V HN 0.365 nan 8.190 nan 0.000 0.445 399 G N -0.423 108.235 108.800 -0.236 0.000 2.545 399 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 399 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 399 G C 1.500 176.210 174.900 -0.317 0.000 1.218 399 G CA 1.415 46.126 45.100 -0.649 0.000 0.787 399 G HN 0.332 nan 8.290 nan 0.000 0.571 400 M N 0.786 120.272 119.600 -0.191 0.000 2.159 400 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 400 M C 2.681 178.826 176.300 -0.258 0.000 1.063 400 M CA 1.490 56.669 55.300 -0.201 0.000 1.110 400 M CB -1.708 30.825 32.600 -0.111 0.000 1.374 400 M HN 0.189 nan 8.290 nan 0.000 0.411 401 T N 1.360 115.775 114.554 -0.231 0.000 2.821 401 T HA -0.047 4.302 4.350 -0.000 0.000 0.267 401 T C 2.071 176.664 174.700 -0.178 0.000 1.046 401 T CA 0.923 62.919 62.100 -0.173 0.000 1.139 401 T CB -0.234 68.548 68.868 -0.142 0.000 0.871 401 T HN 0.308 nan 8.240 nan 0.000 0.454 402 L N 0.399 121.506 121.223 -0.193 0.000 2.046 402 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 402 L C 2.501 179.198 176.870 -0.288 0.000 1.077 402 L CA 1.116 55.859 54.840 -0.161 0.000 0.747 402 L CB -0.613 41.416 42.059 -0.051 0.000 0.896 402 L HN 0.252 nan 8.230 nan 0.000 0.432 403 L N -0.398 120.547 121.223 -0.464 0.000 2.079 403 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 403 L C 2.800 179.458 176.870 -0.354 0.000 1.081 403 L CA 1.110 55.644 54.840 -0.510 0.000 0.752 403 L CB -0.530 41.220 42.059 -0.515 0.000 0.896 403 L HN 0.377 nan 8.230 nan 0.000 0.433 404 E N 0.071 120.059 120.200 -0.352 0.000 2.051 404 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 404 E C 2.089 178.589 176.600 -0.167 0.000 0.991 404 E CA 1.300 57.492 56.400 -0.348 0.000 0.799 404 E CB 0.004 29.465 29.700 -0.400 0.000 0.748 404 E HN 0.474 nan 8.360 nan 0.000 0.449 405 Q N 0.608 120.329 119.800 -0.131 0.000 2.112 405 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 405 Q C 2.223 178.193 176.000 -0.049 0.000 0.987 405 Q CA 1.242 57.009 55.803 -0.060 0.000 0.858 405 Q CB -0.334 28.378 28.738 -0.044 0.000 0.905 405 Q HN 0.316 nan 8.270 nan 0.000 0.420 406 K N 0.198 120.544 120.400 -0.090 0.000 2.097 406 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 406 K C 2.090 178.670 176.600 -0.034 0.000 1.049 406 K CA 1.080 57.327 56.287 -0.067 0.000 0.933 406 K CB -0.147 32.281 32.500 -0.119 0.000 0.717 406 K HN 0.198 nan 8.250 nan 0.000 0.442 407 M N -0.011 119.565 119.600 -0.040 0.000 2.156 407 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 407 M C 0.094 176.436 176.300 0.070 0.000 1.067 407 M CA 1.504 56.819 55.300 0.025 0.000 1.131 407 M CB 0.331 32.949 32.600 0.030 0.000 1.368 407 M HN 0.246 nan 8.290 nan 0.000 0.416 408 G N 1.186 110.023 108.800 0.061 0.000 3.055 408 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 408 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 408 G C -0.425 174.559 174.900 0.141 0.000 1.087 408 G CA -0.284 44.864 45.100 0.082 0.000 0.779 408 G HN 0.422 nan 8.290 nan 0.000 0.599 409 D N 1.041 121.521 120.400 0.133 0.000 2.192 409 D HA -0.251 4.389 4.640 -0.000 0.000 0.189 409 D C 2.829 179.227 176.300 0.164 0.000 1.007 409 D CA 2.883 56.988 54.000 0.175 0.000 0.859 409 D CB -0.514 40.358 40.800 0.119 0.000 0.936 409 D HN 1.183 nan 8.370 nan 0.000 0.447 410 A N 0.234 123.120 122.820 0.109 0.000 1.881 410 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 410 A C 2.443 180.087 177.584 0.099 0.000 1.215 410 A CA 3.107 55.191 52.037 0.080 0.000 0.648 410 A CB -1.160 17.875 19.000 0.057 0.000 0.832 410 A HN 0.334 nan 8.150 nan 0.000 0.455 411 T N -1.852 112.792 114.554 0.150 0.000 2.857 411 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 411 T C 1.561 176.487 174.700 0.377 0.000 1.048 411 T CA 0.896 63.119 62.100 0.205 0.000 1.139 411 T CB -0.333 68.676 68.868 0.235 0.000 0.874 411 T HN 0.678 nan 8.240 nan 0.000 0.455 412 W N 1.927 123.320 121.300 0.155 0.000 2.333 412 W HA -0.156 4.504 4.660 -0.000 0.000 0.316 412 W C 1.623 178.241 176.519 0.164 0.000 1.215 412 W CA 0.720 58.164 57.345 0.165 0.000 1.278 412 W CB -0.367 29.137 29.460 0.072 0.000 1.154 412 W HN 0.195 nan 8.180 nan 0.000 0.486 413 L N 0.710 121.928 121.223 -0.009 0.000 2.013 413 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 413 L C 2.256 179.042 176.870 -0.140 0.000 1.073 413 L CA 2.155 56.891 54.840 -0.174 0.000 0.753 413 L CB -1.251 40.773 42.059 -0.058 0.000 0.890 413 L HN 0.018 nan 8.230 nan 0.000 0.432 414 D N -1.044 119.315 120.400 -0.068 0.000 2.149 414 D HA -0.250 4.390 4.640 -0.000 0.000 0.198 414 D C 2.027 178.205 176.300 -0.204 0.000 0.990 414 D CA 1.489 55.405 54.000 -0.140 0.000 0.839 414 D CB -0.025 40.671 40.800 -0.174 0.000 0.948 414 D HN 0.246 nan 8.370 nan 0.000 0.460 415 Y N 0.202 120.452 120.300 -0.084 0.000 2.220 415 Y HA 0.006 4.556 4.550 -0.000 0.000 0.291 415 Y C 2.242 178.092 175.900 -0.083 0.000 1.129 415 Y CA 0.798 58.860 58.100 -0.062 0.000 1.161 415 Y CB -0.328 38.209 38.460 0.130 0.000 0.997 415 Y HN 0.023 nan 8.280 nan 0.000 0.522 416 L N -0.048 121.067 121.223 -0.179 0.000 2.081 416 L HA -0.321 4.019 4.340 -0.000 0.000 0.212 416 L C 2.022 178.942 176.870 0.083 0.000 1.080 416 L CA 1.408 56.161 54.840 -0.146 0.000 0.754 416 L CB -0.492 41.286 42.059 -0.468 0.000 0.893 416 L HN 0.359 nan 8.230 nan 0.000 0.433 417 N N -0.001 118.675 118.700 -0.041 0.000 2.270 417 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 417 N C 1.842 177.301 175.510 -0.085 0.000 1.016 417 N CA 0.909 53.929 53.050 -0.049 0.000 0.870 417 N CB -0.052 38.386 38.487 -0.081 0.000 0.979 417 N HN 0.399 nan 8.380 nan 0.000 0.431 418 R N -0.291 120.117 120.500 -0.153 0.000 2.189 418 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 418 R C 1.025 177.142 176.300 -0.306 0.000 1.092 418 R CA 0.725 56.664 56.100 -0.269 0.000 0.989 418 R CB -0.175 29.887 30.300 -0.397 0.000 0.876 418 R HN 0.143 nan 8.270 nan 0.000 0.457 419 F N 0.940 120.852 119.950 -0.064 0.000 2.765 419 F HA 0.160 4.687 4.527 -0.000 0.000 0.302 419 F C 0.630 176.213 175.800 -0.362 0.000 1.111 419 F CA 0.133 58.039 58.000 -0.157 0.000 1.359 419 F CB 0.266 39.252 39.000 -0.024 0.000 1.097 419 F HN -0.163 nan 8.300 nan 0.000 0.577 420 K N -0.796 119.543 120.400 -0.102 0.000 3.281 420 K HA -0.231 4.088 4.320 -0.000 0.000 0.295 420 K C -0.117 176.358 176.600 -0.209 0.000 1.233 420 K CA 0.283 56.481 56.287 -0.147 0.000 0.866 420 K CB -2.314 30.095 32.500 -0.152 0.000 1.265 420 K HN 0.201 nan 8.250 nan 0.000 0.482 421 F N 0.988 120.919 119.950 -0.032 0.000 2.480 421 F HA 0.221 4.748 4.527 -0.000 0.000 0.319 421 F C 2.048 177.813 175.800 -0.058 0.000 1.230 421 F CA 1.780 59.740 58.000 -0.067 0.000 1.285 421 F CB 0.219 39.150 39.000 -0.115 0.000 1.208 421 F HN 0.303 nan 8.300 nan 0.000 0.579 422 G N 0.179 109.084 108.800 0.176 0.000 2.175 422 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.265 422 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.265 422 G C -0.625 174.305 174.900 0.051 0.000 0.979 422 G CA 0.312 45.461 45.100 0.082 0.000 0.663 422 G HN 0.645 nan 8.290 nan 0.000 0.533 423 V N 0.397 120.334 119.914 0.039 0.000 2.733 423 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 423 V C -2.190 173.925 176.094 0.035 0.000 1.084 423 V CA -1.758 60.562 62.300 0.032 0.000 0.905 423 V CB 2.450 34.281 31.823 0.014 0.000 1.010 423 V HN 0.056 nan 8.190 nan 0.000 0.424 424 P HA 0.113 nan 4.420 nan 0.000 0.268 424 P C 1.045 178.397 177.300 0.087 0.000 1.208 424 P CA 0.106 63.270 63.100 0.108 0.000 0.777 424 P CB 0.498 32.289 31.700 0.152 0.000 0.875 425 T N -0.899 113.714 114.554 0.100 0.000 3.023 425 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 425 T C 0.696 175.507 174.700 0.185 0.000 1.093 425 T CA -0.049 62.104 62.100 0.089 0.000 1.129 425 T CB -0.491 68.388 68.868 0.018 0.000 0.899 425 T HN 0.289 nan 8.240 nan 0.000 0.491 426 R N 0.880 121.535 120.500 0.259 0.000 3.333 426 R HA -0.156 4.183 4.340 -0.000 0.000 0.256 426 R C 0.515 176.979 176.300 0.273 0.000 1.010 426 R CA 0.761 57.003 56.100 0.236 0.000 0.680 426 R CB -2.951 27.433 30.300 0.140 0.000 1.102 426 R HN 0.735 nan 8.270 nan 0.000 0.440 427 F N -2.545 117.449 119.950 0.073 0.000 2.456 427 F HA 0.289 4.816 4.527 -0.000 0.000 0.298 427 F C 1.459 177.332 175.800 0.121 0.000 1.104 427 F CA 0.988 59.040 58.000 0.086 0.000 1.435 427 F CB -0.019 39.056 39.000 0.126 0.000 1.078 427 F HN 0.194 nan 8.300 nan 0.000 0.546 428 G N 0.441 109.039 108.800 -0.336 0.000 3.859 428 G HA2 0.055 4.014 3.960 -0.000 0.000 0.198 428 G HA3 0.055 4.014 3.960 -0.000 0.000 0.198 428 G C -0.128 174.651 174.900 -0.202 0.000 0.972 428 G CA -0.162 44.834 45.100 -0.174 0.000 0.882 428 G HN 0.224 nan 8.290 nan 0.000 0.364 429 L N 3.015 123.829 121.223 -0.683 0.000 2.395 429 L HA 0.514 4.853 4.340 -0.000 0.000 0.269 429 L C 1.395 178.167 176.870 -0.165 0.000 1.133 429 L CA -0.133 54.394 54.840 -0.521 0.000 0.812 429 L CB 1.271 42.755 42.059 -0.958 0.000 1.125 429 L HN 0.414 nan 8.230 nan 0.000 0.452 430 T N -2.097 112.452 114.554 -0.009 0.000 2.849 430 T HA 0.173 4.523 4.350 -0.000 0.000 0.284 430 T C 0.362 175.192 174.700 0.217 0.000 1.004 430 T CA -0.390 61.766 62.100 0.094 0.000 1.021 430 T CB 1.106 70.012 68.868 0.063 0.000 1.013 430 T HN 0.759 nan 8.240 nan 0.000 0.527 431 D N -0.386 120.137 120.400 0.205 0.000 2.716 431 D HA -0.191 4.449 4.640 -0.000 0.000 0.239 431 D C -0.181 176.333 176.300 0.357 0.000 1.125 431 D CA 1.106 55.255 54.000 0.248 0.000 0.681 431 D CB -1.156 39.761 40.800 0.195 0.000 1.070 431 D HN 0.890 nan 8.370 nan 0.000 0.432 432 E N 0.333 120.775 120.200 0.403 0.000 2.259 432 E HA 0.229 4.579 4.350 -0.000 0.000 0.281 432 E C -0.063 176.838 176.600 0.501 0.000 1.027 432 E CA -0.763 55.946 56.400 0.514 0.000 0.838 432 E CB 0.456 30.465 29.700 0.515 0.000 1.066 432 E HN 0.108 nan 8.360 nan 0.000 0.401 433 Y N 1.582 122.007 120.300 0.208 0.000 2.330 433 Y HA 0.248 4.798 4.550 -0.000 0.000 0.341 433 Y C 1.012 176.985 175.900 0.122 0.000 1.278 433 Y CA -0.387 57.791 58.100 0.130 0.000 1.453 433 Y CB 1.120 39.639 38.460 0.098 0.000 1.342 433 Y HN 0.684 nan 8.280 nan 0.000 0.590 434 A N 0.259 123.213 122.820 0.222 0.000 2.469 434 A HA 0.504 4.824 4.320 -0.000 0.000 0.245 434 A C 1.160 178.808 177.584 0.107 0.000 1.221 434 A CA 0.409 52.530 52.037 0.139 0.000 0.946 434 A CB -0.648 18.406 19.000 0.090 0.000 1.049 434 A HN 1.222 nan 8.150 nan 0.000 0.529 435 G N -0.514 108.352 108.800 0.109 0.000 2.697 435 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.240 435 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.240 435 G C -0.279 174.639 174.900 0.030 0.000 1.346 435 G CA 0.209 45.350 45.100 0.070 0.000 0.887 435 G HN 1.106 nan 8.290 nan 0.000 0.569 436 Q N -1.377 118.428 119.800 0.008 0.000 2.281 436 Q HA 0.525 4.865 4.340 -0.000 0.000 0.263 436 Q C -0.566 175.418 176.000 -0.027 0.000 0.989 436 Q CA -1.104 54.694 55.803 -0.009 0.000 0.852 436 Q CB 1.191 29.916 28.738 -0.021 0.000 1.337 436 Q HN 0.623 nan 8.270 nan 0.000 0.418 437 L N 4.560 125.770 121.223 -0.022 0.000 2.467 437 L HA 0.330 4.669 4.340 -0.000 0.000 0.270 437 L C -1.835 175.005 176.870 -0.051 0.000 1.205 437 L CA -1.257 53.555 54.840 -0.046 0.000 0.828 437 L CB -0.306 41.730 42.059 -0.037 0.000 1.101 437 L HN 0.655 nan 8.230 nan 0.000 0.479 438 P HA 0.064 nan 4.420 nan 0.000 0.264 438 P C -0.573 176.716 177.300 -0.018 0.000 1.193 438 P CA -0.383 62.696 63.100 -0.036 0.000 0.763 438 P CB 0.472 32.161 31.700 -0.018 0.000 0.810 439 A N 3.220 126.032 122.820 -0.013 0.000 2.521 439 A HA -0.058 4.261 4.320 -0.000 0.000 0.237 439 A C 0.458 178.044 177.584 0.004 0.000 1.087 439 A CA 0.126 52.159 52.037 -0.007 0.000 0.777 439 A CB -0.458 18.537 19.000 -0.008 0.000 1.035 439 A HN 0.595 nan 8.150 nan 0.000 0.510 440 D N 0.372 120.774 120.400 0.005 0.000 2.402 440 D HA 0.421 5.061 4.640 -0.000 0.000 0.235 440 D C -0.415 175.895 176.300 0.017 0.000 1.226 440 D CA 0.523 54.530 54.000 0.012 0.000 0.918 440 D CB -0.502 40.303 40.800 0.008 0.000 1.043 440 D HN 0.766 nan 8.370 nan 0.000 0.506 441 N N 1.690 120.406 118.700 0.026 0.000 4.454 441 N HA -0.005 4.734 4.740 -0.000 0.000 0.201 441 N C 0.377 175.912 175.510 0.043 0.000 1.131 441 N CA -0.697 52.371 53.050 0.030 0.000 0.964 441 N CB 0.094 38.594 38.487 0.023 0.000 1.579 441 N HN 0.098 nan 8.380 nan 0.000 0.573 442 I N -1.339 119.259 120.570 0.046 0.000 2.315 442 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 442 I C 1.096 177.253 176.117 0.066 0.000 1.117 442 I CA 0.767 62.101 61.300 0.057 0.000 1.404 442 I CB -0.440 37.590 38.000 0.050 0.000 1.071 442 I HN 0.361 nan 8.210 nan 0.000 0.419 443 V N 2.232 122.182 119.914 0.060 0.000 2.407 443 V HA -0.270 3.849 4.120 -0.000 0.000 0.248 443 V C 2.277 178.416 176.094 0.076 0.000 1.055 443 V CA 2.542 64.885 62.300 0.073 0.000 1.049 443 V CB -1.320 30.543 31.823 0.065 0.000 0.662 443 V HN 0.521 nan 8.190 nan 0.000 0.455 444 N N 0.084 118.819 118.700 0.057 0.000 2.092 444 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 444 N C 1.870 177.419 175.510 0.065 0.000 1.040 444 N CA 1.401 54.477 53.050 0.044 0.000 0.845 444 N CB -0.161 38.341 38.487 0.025 0.000 1.017 444 N HN 0.361 nan 8.380 nan 0.000 0.426 445 I N 1.323 121.946 120.570 0.088 0.000 2.335 445 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 445 I C 2.415 178.653 176.117 0.202 0.000 1.129 445 I CA 0.677 62.070 61.300 0.155 0.000 1.402 445 I CB -0.481 37.608 38.000 0.148 0.000 1.069 445 I HN 0.188 nan 8.210 nan 0.000 0.424 446 A N 1.119 124.019 122.820 0.133 0.000 1.854 446 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 446 A C 2.328 180.008 177.584 0.160 0.000 1.192 446 A CA 1.280 53.387 52.037 0.116 0.000 0.611 446 A CB -0.533 18.532 19.000 0.109 0.000 0.832 446 A HN 0.322 nan 8.150 nan 0.000 0.442 447 M N 0.472 120.159 119.600 0.145 0.000 2.460 447 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 447 M C 2.127 178.277 176.300 -0.251 0.000 1.071 447 M CA 1.179 56.475 55.300 -0.006 0.000 1.096 447 M CB -0.404 32.093 32.600 -0.172 0.000 1.408 447 M HN 0.425 nan 8.290 nan 0.000 0.463 448 S N 1.363 117.068 115.700 0.008 0.000 2.374 448 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 448 S C 2.192 176.892 174.600 0.167 0.000 1.037 448 S CA 1.455 59.724 58.200 0.115 0.000 1.024 448 S CB -0.552 62.900 63.200 0.419 0.000 0.861 448 S HN 0.632 nan 8.310 nan 0.000 0.456 449 A N 1.452 124.319 122.820 0.079 0.000 2.054 449 A HA -0.145 4.175 4.320 -0.000 0.000 0.223 449 A C 1.482 179.109 177.584 0.071 0.000 1.169 449 A CA 1.807 53.725 52.037 -0.198 0.000 0.655 449 A CB -0.810 17.985 19.000 -0.342 0.000 0.812 449 A HN 0.728 nan 8.150 nan 0.000 0.462 450 F N -3.464 116.433 119.950 -0.087 0.000 2.805 450 F HA 0.569 5.095 4.527 -0.000 0.000 0.317 450 F C 0.828 176.594 175.800 -0.057 0.000 1.146 450 F CA -0.997 56.961 58.000 -0.071 0.000 1.265 450 F CB -0.442 38.516 39.000 -0.070 0.000 0.992 450 F HN 0.376 nan 8.300 nan 0.000 0.511 451 G N 0.679 109.343 108.800 -0.227 0.000 2.149 451 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.235 451 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.235 451 G C -0.404 174.301 174.900 -0.324 0.000 1.018 451 G CA -0.096 44.867 45.100 -0.227 0.000 0.728 451 G HN 0.487 nan 8.290 nan 0.000 0.508 452 Q N -1.309 118.209 119.800 -0.470 0.000 2.389 452 Q HA 0.611 4.951 4.340 -0.000 0.000 0.277 452 Q C 0.862 176.725 176.000 -0.228 0.000 1.082 452 Q CA -0.042 55.535 55.803 -0.378 0.000 0.810 452 Q CB 1.559 29.929 28.738 -0.613 0.000 1.374 452 Q HN 1.478 nan 8.270 nan 0.000 0.422 453 G N 1.208 109.966 108.800 -0.069 0.000 2.162 453 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 453 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 453 G C -0.033 174.828 174.900 -0.065 0.000 0.976 453 G CA 0.657 45.733 45.100 -0.040 0.000 0.655 453 G HN 0.546 nan 8.290 nan 0.000 0.533 454 I N 0.666 121.173 120.570 -0.105 0.000 2.722 454 I HA 0.655 4.825 4.170 -0.000 0.000 0.295 454 I C -0.286 175.738 176.117 -0.155 0.000 1.161 454 I CA -0.393 60.826 61.300 -0.135 0.000 1.032 454 I CB 2.122 40.004 38.000 -0.198 0.000 1.244 454 I HN 0.335 nan 8.210 nan 0.000 0.421 455 S N 6.651 122.273 115.700 -0.131 0.000 2.532 455 S HA 0.890 5.360 4.470 -0.000 0.000 0.301 455 S C -0.618 173.904 174.600 -0.131 0.000 1.083 455 S CA -0.492 57.627 58.200 -0.136 0.000 1.025 455 S CB 1.847 65.015 63.200 -0.053 0.000 1.056 455 S HN 0.816 nan 8.310 nan 0.000 0.494 456 V N -1.318 118.460 119.914 -0.226 0.000 3.165 456 V HA 0.953 5.073 4.120 -0.000 0.000 0.309 456 V C -0.377 175.680 176.094 -0.061 0.000 1.267 456 V CA -0.566 61.668 62.300 -0.110 0.000 1.067 456 V CB 1.245 32.988 31.823 -0.134 0.000 1.082 456 V HN 1.239 nan 8.190 nan 0.000 0.451 457 T N -1.904 112.709 114.554 0.098 0.000 2.885 457 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 457 T C 0.557 175.413 174.700 0.259 0.000 1.019 457 T CA -0.395 61.850 62.100 0.241 0.000 1.010 457 T CB 1.900 70.887 68.868 0.198 0.000 1.022 457 T HN 0.773 nan 8.240 nan 0.000 0.466 458 Q N 0.669 120.700 119.800 0.385 0.000 2.248 458 Q HA -0.139 4.201 4.340 -0.000 0.000 0.208 458 Q C 2.297 178.368 176.000 0.119 0.000 0.984 458 Q CA 2.140 58.152 55.803 0.349 0.000 0.875 458 Q CB -0.478 28.469 28.738 0.349 0.000 0.910 458 Q HN 0.998 nan 8.270 nan 0.000 0.433 459 T N -1.488 113.075 114.554 0.015 0.000 2.812 459 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 459 T C 1.763 176.366 174.700 -0.162 0.000 1.042 459 T CA 0.851 62.852 62.100 -0.165 0.000 1.140 459 T CB -0.200 68.406 68.868 -0.437 0.000 0.870 459 T HN 0.244 nan 8.240 nan 0.000 0.445 460 Q N 0.288 120.014 119.800 -0.124 0.000 2.077 460 Q HA -0.091 4.248 4.340 -0.000 0.000 0.206 460 Q C 2.520 178.313 176.000 -0.345 0.000 0.989 460 Q CA 1.513 57.174 55.803 -0.237 0.000 0.853 460 Q CB -0.346 28.300 28.738 -0.154 0.000 0.907 460 Q HN 0.442 nan 8.270 nan 0.000 0.418 461 M N 0.277 119.730 119.600 -0.245 0.000 2.086 461 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 461 M C 2.318 178.224 176.300 -0.658 0.000 1.067 461 M CA 1.420 56.407 55.300 -0.522 0.000 1.116 461 M CB -0.990 31.301 32.600 -0.516 0.000 1.348 461 M HN 0.250 nan 8.290 nan 0.000 0.407 462 L N -0.728 120.350 121.223 -0.241 0.000 2.079 462 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 462 L C 2.777 179.626 176.870 -0.035 0.000 1.081 462 L CA 1.278 56.126 54.840 0.013 0.000 0.752 462 L CB -0.693 41.398 42.059 0.054 0.000 0.896 462 L HN 0.330 nan 8.230 nan 0.000 0.433 463 R N 0.174 120.594 120.500 -0.133 0.000 2.081 463 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 463 R C 2.318 178.564 176.300 -0.091 0.000 1.131 463 R CA 1.451 57.489 56.100 -0.103 0.000 0.960 463 R CB -0.195 30.017 30.300 -0.147 0.000 0.856 463 R HN 0.354 nan 8.270 nan 0.000 0.436 464 A N 0.383 123.069 122.820 -0.224 0.000 1.873 464 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 464 A C 1.872 179.431 177.584 -0.042 0.000 1.186 464 A CA 1.023 52.965 52.037 -0.158 0.000 0.616 464 A CB -0.662 18.069 19.000 -0.448 0.000 0.823 464 A HN 0.328 nan 8.150 nan 0.000 0.442 465 F N 1.488 121.398 119.950 -0.066 0.000 2.120 465 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 465 F C 2.991 178.790 175.800 -0.001 0.000 1.095 465 F CA 1.662 59.635 58.000 -0.045 0.000 1.249 465 F CB -1.488 37.470 39.000 -0.071 0.000 0.995 465 F HN 0.422 nan 8.300 nan 0.000 0.480 466 T N -1.840 112.827 114.554 0.188 0.000 2.803 466 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 466 T C 2.116 176.873 174.700 0.096 0.000 1.052 466 T CA 1.224 63.392 62.100 0.114 0.000 1.136 466 T CB -0.845 68.067 68.868 0.073 0.000 0.864 466 T HN 0.210 nan 8.240 nan 0.000 0.467 467 A N 1.786 124.678 122.820 0.121 0.000 1.898 467 A HA 0.121 4.440 4.320 -0.000 0.000 0.216 467 A C 2.424 180.082 177.584 0.124 0.000 1.181 467 A CA 1.314 53.423 52.037 0.119 0.000 0.620 467 A CB -0.599 18.533 19.000 0.221 0.000 0.819 467 A HN 0.500 nan 8.150 nan 0.000 0.442 468 I N -0.097 120.574 120.570 0.167 0.000 2.252 468 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 468 I C 2.630 178.799 176.117 0.085 0.000 1.102 468 I CA 1.510 62.891 61.300 0.135 0.000 1.385 468 I CB -1.465 36.633 38.000 0.163 0.000 1.064 468 I HN 0.349 nan 8.210 nan 0.000 0.414 469 A N -0.122 122.747 122.820 0.082 0.000 2.251 469 A HA 0.023 4.343 4.320 -0.000 0.000 0.209 469 A C 1.239 178.836 177.584 0.021 0.000 1.187 469 A CA 0.453 52.516 52.037 0.043 0.000 0.823 469 A CB -0.401 18.619 19.000 0.035 0.000 0.846 469 A HN 0.327 nan 8.150 nan 0.000 0.486 470 N N 0.938 119.652 118.700 0.024 0.000 2.541 470 N HA 0.179 4.919 4.740 -0.000 0.000 0.297 470 N C -1.268 174.237 175.510 -0.009 0.000 1.503 470 N CA -0.105 52.948 53.050 0.005 0.000 0.919 470 N CB 0.144 38.634 38.487 0.005 0.000 1.305 470 N HN 0.224 nan 8.380 nan 0.000 0.501 471 D N 0.009 120.408 120.400 -0.003 0.000 2.692 471 D HA -0.195 4.445 4.640 -0.000 0.000 0.233 471 D C 1.200 177.469 176.300 -0.052 0.000 1.172 471 D CA 1.459 55.451 54.000 -0.014 0.000 0.636 471 D CB -1.128 39.667 40.800 -0.008 0.000 1.028 471 D HN 0.586 nan 8.370 nan 0.000 0.419 472 G N -2.433 106.339 108.800 -0.045 0.000 2.284 472 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.247 472 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.247 472 G C 0.462 175.253 174.900 -0.182 0.000 1.012 472 G CA -0.042 44.998 45.100 -0.100 0.000 0.618 472 G HN 0.771 nan 8.290 nan 0.000 0.521 473 V N 2.456 122.259 119.914 -0.186 0.000 2.415 473 V HA 0.506 4.626 4.120 -0.000 0.000 0.267 473 V C 0.844 176.891 176.094 -0.078 0.000 1.042 473 V CA 0.385 62.558 62.300 -0.211 0.000 1.000 473 V CB 1.236 32.982 31.823 -0.130 0.000 1.015 473 V HN 0.493 nan 8.190 nan 0.000 0.478 474 M N 6.535 126.090 119.600 -0.075 0.000 2.162 474 M HA 0.458 4.938 4.480 -0.000 0.000 0.356 474 M C -0.820 175.487 176.300 0.011 0.000 1.303 474 M CA 0.025 55.318 55.300 -0.012 0.000 1.116 474 M CB 0.473 33.059 32.600 -0.023 0.000 1.632 474 M HN 0.523 nan 8.290 nan 0.000 0.469 475 L N 2.597 123.836 121.223 0.027 0.000 2.332 475 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 475 L C -0.379 176.513 176.870 0.038 0.000 1.016 475 L CA -1.047 53.816 54.840 0.039 0.000 0.809 475 L CB 1.596 43.682 42.059 0.044 0.000 1.280 475 L HN 0.563 nan 8.230 nan 0.000 0.447 476 E N 1.925 122.156 120.200 0.052 0.000 2.229 476 E HA 0.292 4.642 4.350 -0.000 0.000 0.283 476 E C -2.462 174.191 176.600 0.088 0.000 1.030 476 E CA -1.882 54.557 56.400 0.065 0.000 0.836 476 E CB 1.147 30.892 29.700 0.076 0.000 1.068 476 E HN 0.131 nan 8.360 nan 0.000 0.401 477 P HA 0.026 nan 4.420 nan 0.000 0.265 477 P C -1.070 176.389 177.300 0.265 0.000 1.193 477 P CA 0.375 63.555 63.100 0.133 0.000 0.765 477 P CB 0.525 32.226 31.700 0.001 0.000 0.823 478 K N 2.242 122.788 120.400 0.243 0.000 2.318 478 K HA 0.475 4.795 4.320 -0.000 0.000 0.249 478 K C -0.009 176.798 176.600 0.344 0.000 0.942 478 K CA -0.425 55.983 56.287 0.201 0.000 0.808 478 K CB 1.440 33.990 32.500 0.084 0.000 1.189 478 K HN 0.426 nan 8.250 nan 0.000 0.428 479 F N -0.644 119.450 119.950 0.240 0.000 2.925 479 F HA 0.452 4.979 4.527 -0.000 0.000 0.359 479 F C -0.182 175.730 175.800 0.185 0.000 1.038 479 F CA -0.521 57.649 58.000 0.283 0.000 1.130 479 F CB 0.389 39.648 39.000 0.431 0.000 1.093 479 F HN 0.122 nan 8.300 nan 0.000 0.561 480 I N 1.372 121.822 120.570 -0.201 0.000 2.330 480 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 480 I C 1.007 177.128 176.117 0.006 0.000 1.001 480 I CA -0.470 60.781 61.300 -0.082 0.000 1.193 480 I CB 1.852 39.690 38.000 -0.270 0.000 1.345 480 I HN 0.197 nan 8.210 nan 0.000 0.461 481 S N 4.768 120.538 115.700 0.116 0.000 2.421 481 S HA 0.391 4.861 4.470 -0.000 0.000 0.224 481 S C 0.485 175.129 174.600 0.073 0.000 1.035 481 S CA 0.602 58.867 58.200 0.109 0.000 0.953 481 S CB 0.317 63.620 63.200 0.172 0.000 0.810 481 S HN 0.789 nan 8.310 nan 0.000 0.497 482 A N 0.009 122.899 122.820 0.116 0.000 2.608 482 A HA 0.657 4.976 4.320 -0.000 0.000 0.292 482 A C -1.984 175.692 177.584 0.152 0.000 1.066 482 A CA -0.692 51.382 52.037 0.062 0.000 0.676 482 A CB 0.715 19.678 19.000 -0.063 0.000 1.277 482 A HN 0.309 nan 8.150 nan 0.000 0.413 483 L N 1.300 122.589 121.223 0.111 0.000 2.356 483 L HA 0.546 4.885 4.340 -0.000 0.000 0.277 483 L C -1.393 175.596 176.870 0.198 0.000 0.996 483 L CA -0.627 54.308 54.840 0.158 0.000 0.822 483 L CB 1.946 44.036 42.059 0.052 0.000 1.256 483 L HN 0.801 nan 8.230 nan 0.000 0.413 484 Y N 2.574 122.963 120.300 0.149 0.000 2.341 484 Y HA 0.353 4.903 4.550 -0.000 0.000 0.338 484 Y C -0.661 175.304 175.900 0.109 0.000 0.965 484 Y CA -0.877 57.297 58.100 0.122 0.000 1.108 484 Y CB 1.602 40.189 38.460 0.212 0.000 1.180 484 Y HN 0.441 nan 8.280 nan 0.000 0.458 485 D N 8.723 128.698 120.400 -0.708 0.000 2.473 485 D HA 0.272 4.912 4.640 -0.000 0.000 0.226 485 D C -1.846 174.001 176.300 -0.755 0.000 1.089 485 D CA -2.507 51.184 54.000 -0.515 0.000 0.883 485 D CB 1.665 42.299 40.800 -0.275 0.000 1.029 485 D HN 0.363 nan 8.370 nan 0.000 0.517 486 P HA -0.174 nan 4.420 nan 0.000 0.218 486 P C 0.979 178.217 177.300 -0.104 0.000 1.148 486 P CA 0.768 63.772 63.100 -0.160 0.000 0.822 486 P CB 0.604 32.346 31.700 0.071 0.000 0.784 487 N N 1.063 119.696 118.700 -0.112 0.000 2.043 487 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 487 N C 0.911 176.385 175.510 -0.059 0.000 1.037 487 N CA 1.943 54.956 53.050 -0.063 0.000 0.851 487 N CB -0.542 37.913 38.487 -0.054 0.000 1.027 487 N HN 0.381 nan 8.380 nan 0.000 0.422 488 D N -0.554 119.790 120.400 -0.095 0.000 2.462 488 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 488 D C -0.287 175.977 176.300 -0.060 0.000 1.173 488 D CA -0.138 53.826 54.000 -0.060 0.000 0.831 488 D CB -0.032 40.739 40.800 -0.050 0.000 1.001 488 D HN -0.160 nan 8.370 nan 0.000 0.499 489 Q N -0.136 119.608 119.800 -0.094 0.000 2.437 489 Q HA -0.210 4.130 4.340 -0.000 0.000 0.274 489 Q C -0.322 175.695 176.000 0.029 0.000 1.165 489 Q CA 1.115 56.927 55.803 0.015 0.000 0.925 489 Q CB -2.334 26.469 28.738 0.108 0.000 1.327 489 Q HN 0.622 nan 8.270 nan 0.000 0.505 490 S N -2.630 112.995 115.700 -0.124 0.000 2.704 490 S HA 0.894 5.364 4.470 -0.000 0.000 0.305 490 S C -0.257 174.327 174.600 -0.027 0.000 1.107 490 S CA -0.237 57.944 58.200 -0.033 0.000 0.993 490 S CB 2.826 66.001 63.200 -0.042 0.000 1.110 490 S HN 0.481 nan 8.310 nan 0.000 0.534 491 V N 0.276 120.224 119.914 0.055 0.000 3.181 491 V HA 0.749 4.869 4.120 -0.000 0.000 0.308 491 V C -1.695 174.419 176.094 0.034 0.000 1.214 491 V CA -1.037 61.318 62.300 0.091 0.000 1.053 491 V CB 2.375 34.282 31.823 0.141 0.000 1.069 491 V HN 1.056 nan 8.190 nan 0.000 0.441 492 R N 2.674 123.190 120.500 0.026 0.000 2.518 492 R HA 0.495 4.835 4.340 -0.000 0.000 0.296 492 R C -1.378 174.917 176.300 -0.008 0.000 1.080 492 R CA -0.644 55.456 56.100 -0.000 0.000 0.922 492 R CB 1.998 32.287 30.300 -0.019 0.000 1.184 492 R HN 0.617 nan 8.270 nan 0.000 0.445 493 K N 1.212 121.603 120.400 -0.015 0.000 2.159 493 K HA 0.283 4.602 4.320 -0.000 0.000 0.266 493 K C 0.073 176.661 176.600 -0.019 0.000 0.975 493 K CA -0.462 55.813 56.287 -0.021 0.000 0.865 493 K CB 2.067 34.552 32.500 -0.026 0.000 1.087 493 K HN 0.301 nan 8.250 nan 0.000 0.446 494 S N 1.950 117.641 115.700 -0.015 0.000 2.589 494 S HA 0.050 4.520 4.470 -0.000 0.000 0.265 494 S C -0.603 173.993 174.600 -0.007 0.000 1.342 494 S CA -0.015 58.175 58.200 -0.017 0.000 1.005 494 S CB 0.654 63.846 63.200 -0.013 0.000 0.909 494 S HN 0.516 nan 8.310 nan 0.000 0.555 495 Q N 1.086 120.883 119.800 -0.006 0.000 2.295 495 Q HA 0.296 4.636 4.340 -0.000 0.000 0.268 495 Q C -1.392 174.614 176.000 0.010 0.000 1.010 495 Q CA -0.642 55.162 55.803 0.003 0.000 0.856 495 Q CB 1.324 30.062 28.738 -0.000 0.000 1.349 495 Q HN 0.779 nan 8.270 nan 0.000 0.412 496 K N 1.241 121.653 120.400 0.019 0.000 2.569 496 K HA -0.071 4.248 4.320 -0.000 0.000 0.280 496 K C -0.376 176.245 176.600 0.034 0.000 0.984 496 K CA 0.421 56.725 56.287 0.029 0.000 1.064 496 K CB 0.558 33.078 32.500 0.032 0.000 0.866 496 K HN 0.500 nan 8.250 nan 0.000 0.492 497 E N 4.635 124.860 120.200 0.041 0.000 2.101 497 E HA 0.154 4.504 4.350 -0.000 0.000 0.260 497 E C -0.640 176.001 176.600 0.070 0.000 0.897 497 E CA -0.679 55.751 56.400 0.050 0.000 0.744 497 E CB 0.633 30.358 29.700 0.041 0.000 1.140 497 E HN 0.576 nan 8.360 nan 0.000 0.419 498 I N 4.725 125.351 120.570 0.093 0.000 2.598 498 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 498 I C 1.183 177.377 176.117 0.129 0.000 1.140 498 I CA 0.137 61.512 61.300 0.125 0.000 1.420 498 I CB 0.774 38.892 38.000 0.197 0.000 1.387 498 I HN 0.459 nan 8.210 nan 0.000 0.553 499 V N 2.721 122.692 119.914 0.094 0.000 3.253 499 V HA 0.712 4.832 4.120 -0.000 0.000 0.320 499 V C 0.402 176.525 176.094 0.048 0.000 1.442 499 V CA 0.236 62.586 62.300 0.084 0.000 1.097 499 V CB -0.188 31.667 31.823 0.053 0.000 1.008 499 V HN 0.971 nan 8.190 nan 0.000 0.463 500 G N 0.612 109.432 108.800 0.033 0.000 2.350 500 G HA2 0.201 4.160 3.960 -0.000 0.000 0.304 500 G HA3 0.201 4.160 3.960 -0.000 0.000 0.304 500 G C -1.525 173.282 174.900 -0.154 0.000 1.421 500 G CA -0.299 44.771 45.100 -0.050 0.000 0.934 500 G HN 0.301 nan 8.290 nan 0.000 0.632 501 N N 1.231 119.795 118.700 -0.226 0.000 2.791 501 N HA 0.380 5.120 4.740 -0.000 0.000 0.265 501 N C -1.104 174.231 175.510 -0.291 0.000 1.580 501 N CA -1.730 51.109 53.050 -0.352 0.000 0.809 501 N CB 1.535 39.752 38.487 -0.450 0.000 1.178 501 N HN 0.268 nan 8.380 nan 0.000 0.499 502 P HA -0.093 nan 4.420 nan 0.000 0.218 502 P C 0.303 177.427 177.300 -0.293 0.000 1.148 502 P CA 1.156 63.955 63.100 -0.501 0.000 0.822 502 P CB 0.276 31.326 31.700 -1.083 0.000 0.784 503 V N -4.306 115.505 119.914 -0.173 0.000 3.159 503 V HA 0.603 4.723 4.120 -0.000 0.000 0.308 503 V C -0.084 175.980 176.094 -0.051 0.000 1.190 503 V CA -1.173 61.108 62.300 -0.031 0.000 1.037 503 V CB 1.338 33.192 31.823 0.052 0.000 1.060 503 V HN 0.135 nan 8.190 nan 0.000 0.437 504 S N 0.717 116.407 115.700 -0.016 0.000 2.584 504 S HA 0.183 4.652 4.470 -0.000 0.000 0.270 504 S C 1.007 175.594 174.600 -0.022 0.000 1.346 504 S CA 0.431 58.618 58.200 -0.022 0.000 1.018 504 S CB 0.801 64.002 63.200 0.002 0.000 0.899 504 S HN 1.203 nan 8.310 nan 0.000 0.542 505 K N 1.172 121.559 120.400 -0.022 0.000 2.103 505 K HA -0.189 4.130 4.320 -0.000 0.000 0.207 505 K C 2.261 178.862 176.600 0.002 0.000 1.048 505 K CA 1.832 58.112 56.287 -0.012 0.000 0.930 505 K CB -0.937 31.561 32.500 -0.003 0.000 0.716 505 K HN 0.840 nan 8.250 nan 0.000 0.444 506 E N 0.859 121.063 120.200 0.008 0.000 2.006 506 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 506 E C 2.031 178.636 176.600 0.009 0.000 0.993 506 E CA 1.418 57.827 56.400 0.016 0.000 0.808 506 E CB -1.172 28.541 29.700 0.022 0.000 0.764 506 E HN 0.579 nan 8.360 nan 0.000 0.449 507 A N 0.970 123.790 122.820 -0.000 0.000 1.997 507 A HA 0.088 4.408 4.320 -0.000 0.000 0.221 507 A C 2.771 180.336 177.584 -0.033 0.000 1.172 507 A CA 2.993 55.013 52.037 -0.028 0.000 0.645 507 A CB -0.804 18.180 19.000 -0.026 0.000 0.813 507 A HN 1.088 nan 8.150 nan 0.000 0.454 508 A N -1.339 121.479 122.820 -0.004 0.000 1.897 508 A HA -0.022 4.297 4.320 -0.000 0.000 0.215 508 A C 2.478 180.069 177.584 0.012 0.000 1.181 508 A CA 2.010 54.055 52.037 0.013 0.000 0.620 508 A CB -0.859 18.152 19.000 0.020 0.000 0.821 508 A HN 0.553 nan 8.150 nan 0.000 0.443 509 S N -0.643 115.066 115.700 0.015 0.000 2.371 509 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 509 S C 1.913 176.535 174.600 0.038 0.000 1.029 509 S CA 1.441 59.657 58.200 0.026 0.000 0.978 509 S CB -0.430 62.786 63.200 0.027 0.000 0.833 509 S HN 0.271 nan 8.310 nan 0.000 0.466 510 V N 1.637 121.573 119.914 0.036 0.000 2.407 510 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 510 V C 2.614 178.754 176.094 0.076 0.000 1.055 510 V CA 2.280 64.630 62.300 0.084 0.000 1.049 510 V CB -1.429 30.440 31.823 0.076 0.000 0.662 510 V HN 0.537 nan 8.190 nan 0.000 0.455 511 T N -0.495 114.018 114.554 -0.068 0.000 2.684 511 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 511 T C 2.094 176.784 174.700 -0.017 0.000 1.036 511 T CA 1.663 63.661 62.100 -0.169 0.000 1.148 511 T CB -0.275 68.496 68.868 -0.162 0.000 0.863 511 T HN 0.378 nan 8.240 nan 0.000 0.436 512 R N 0.721 121.241 120.500 0.033 0.000 2.105 512 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 512 R C 2.216 178.570 176.300 0.090 0.000 1.135 512 R CA 1.497 57.638 56.100 0.068 0.000 0.967 512 R CB -0.232 30.101 30.300 0.055 0.000 0.861 512 R HN 0.399 nan 8.270 nan 0.000 0.442 513 D N -0.650 119.804 120.400 0.091 0.000 2.117 513 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 513 D C 1.742 178.078 176.300 0.060 0.000 0.987 513 D CA 1.388 55.427 54.000 0.066 0.000 0.829 513 D CB -0.226 40.601 40.800 0.046 0.000 0.961 513 D HN 0.359 nan 8.370 nan 0.000 0.460 514 H N -0.073 119.004 119.070 0.012 0.000 2.389 514 H HA 0.072 4.628 4.556 -0.000 0.000 0.299 514 H C 2.156 177.617 175.328 0.222 0.000 1.081 514 H CA 0.907 56.986 56.048 0.051 0.000 1.345 514 H CB -0.097 29.539 29.762 -0.210 0.000 1.393 514 H HN 0.079 nan 8.280 nan 0.000 0.520 515 M N -0.531 119.267 119.600 0.330 0.000 2.213 515 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 515 M C 1.955 178.380 176.300 0.209 0.000 1.062 515 M CA 0.872 56.378 55.300 0.344 0.000 1.105 515 M CB 0.105 32.849 32.600 0.241 0.000 1.385 515 M HN 0.121 nan 8.290 nan 0.000 0.417 516 V N 0.324 120.328 119.914 0.150 0.000 2.515 516 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 516 V C 2.260 178.416 176.094 0.104 0.000 1.058 516 V CA 1.521 63.884 62.300 0.105 0.000 1.064 516 V CB -0.573 31.295 31.823 0.074 0.000 0.675 516 V HN 0.526 nan 8.190 nan 0.000 0.461 517 M N -0.535 119.135 119.600 0.116 0.000 2.296 517 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 517 M C 2.142 178.526 176.300 0.141 0.000 1.064 517 M CA 1.265 56.629 55.300 0.108 0.000 1.109 517 M CB -0.505 32.157 32.600 0.104 0.000 1.396 517 M HN 0.248 nan 8.290 nan 0.000 0.430 518 V N 0.039 120.058 119.914 0.175 0.000 2.660 518 V HA -0.213 3.907 4.120 -0.000 0.000 0.257 518 V C 2.047 178.212 176.094 0.117 0.000 1.088 518 V CA 1.967 64.349 62.300 0.137 0.000 1.106 518 V CB -1.166 30.713 31.823 0.093 0.000 0.686 518 V HN 0.696 nan 8.190 nan 0.000 0.481 519 G N -2.505 106.366 108.800 0.120 0.000 3.342 519 G HA2 0.082 4.042 3.960 -0.000 0.000 0.252 519 G HA3 0.082 4.042 3.960 -0.000 0.000 0.252 519 G C 1.224 176.244 174.900 0.201 0.000 1.011 519 G CA 0.731 45.917 45.100 0.143 0.000 0.869 519 G HN 0.350 nan 8.290 nan 0.000 0.514 520 T N 0.120 114.740 114.554 0.111 0.000 3.042 520 T HA 0.089 4.439 4.350 -0.000 0.000 0.245 520 T C 0.467 175.052 174.700 -0.192 0.000 1.029 520 T CA 0.103 62.227 62.100 0.040 0.000 1.120 520 T CB 0.077 68.967 68.868 0.037 0.000 0.917 520 T HN 0.251 nan 8.240 nan 0.000 0.467 521 D N 2.846 123.168 120.400 -0.130 0.000 2.338 521 D HA 0.099 4.739 4.640 -0.000 0.000 0.255 521 D C -1.362 174.697 176.300 -0.401 0.000 1.237 521 D CA -2.170 51.722 54.000 -0.181 0.000 0.883 521 D CB 1.373 42.202 40.800 0.047 0.000 1.087 521 D HN 0.123 nan 8.370 nan 0.000 0.485 522 P HA -0.107 nan 4.420 nan 0.000 0.228 522 P C 0.657 177.856 177.300 -0.168 0.000 1.151 522 P CA 0.854 63.461 63.100 -0.823 0.000 0.770 522 P CB 0.417 31.725 31.700 -0.654 0.000 0.786 523 T N -2.335 112.135 114.554 -0.141 0.000 3.046 523 T HA 0.072 4.422 4.350 -0.000 0.000 0.242 523 T C 1.248 175.787 174.700 -0.269 0.000 1.018 523 T CA 0.989 62.953 62.100 -0.227 0.000 1.131 523 T CB -0.318 68.293 68.868 -0.428 0.000 0.904 523 T HN 0.081 nan 8.240 nan 0.000 0.459 524 Y N 0.976 121.362 120.300 0.143 0.000 2.467 524 Y HA 0.458 5.008 4.550 -0.000 0.000 0.259 524 Y C 1.718 177.817 175.900 0.332 0.000 1.084 524 Y CA -1.190 57.078 58.100 0.280 0.000 1.275 524 Y CB 0.013 38.581 38.460 0.181 0.000 1.208 524 Y HN 0.152 nan 8.280 nan 0.000 0.511 525 G N 1.037 110.028 108.800 0.317 0.000 2.307 525 G HA2 0.168 4.128 3.960 -0.000 0.000 0.271 525 G HA3 0.168 4.128 3.960 -0.000 0.000 0.271 525 G C 0.979 176.011 174.900 0.219 0.000 1.191 525 G CA 0.395 45.632 45.100 0.229 0.000 1.024 525 G HN 0.369 nan 8.290 nan 0.000 0.441 526 T N 0.419 115.052 114.554 0.133 0.000 3.163 526 T HA 0.050 4.400 4.350 -0.000 0.000 0.260 526 T C 1.384 176.093 174.700 0.014 0.000 1.156 526 T CA 0.583 62.692 62.100 0.015 0.000 1.072 526 T CB -0.114 68.631 68.868 -0.206 0.000 0.937 526 T HN 0.420 nan 8.240 nan 0.000 0.528 527 M N -0.026 119.619 119.600 0.074 0.000 2.504 527 M HA 0.340 4.820 4.480 -0.000 0.000 0.370 527 M C -0.676 175.676 176.300 0.087 0.000 1.110 527 M CA -0.644 54.693 55.300 0.061 0.000 0.938 527 M CB 0.786 33.414 32.600 0.047 0.000 1.460 527 M HN 0.223 nan 8.290 nan 0.000 0.535 528 Y N 1.914 122.185 120.300 -0.049 0.000 2.316 528 Y HA 0.266 4.816 4.550 -0.000 0.000 0.331 528 Y C 0.020 175.793 175.900 -0.212 0.000 1.083 528 Y CA -0.382 57.628 58.100 -0.150 0.000 1.206 528 Y CB 0.530 38.847 38.460 -0.239 0.000 1.195 528 Y HN 0.165 nan 8.280 nan 0.000 0.497 529 N N 4.375 122.644 118.700 -0.719 0.000 2.437 529 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 529 N C -0.764 174.297 175.510 -0.749 0.000 1.041 529 N CA -0.561 52.190 53.050 -0.499 0.000 0.940 529 N CB 0.197 38.504 38.487 -0.299 0.000 1.133 529 N HN 0.769 nan 8.380 nan 0.000 0.506 530 H N 1.612 120.489 119.070 -0.321 0.000 3.068 530 H HA 0.029 4.585 4.556 -0.000 0.000 0.297 530 H C 0.582 175.846 175.328 -0.108 0.000 1.135 530 H CA 0.240 56.197 56.048 -0.151 0.000 1.207 530 H CB 0.006 29.786 29.762 0.030 0.000 1.307 530 H HN 0.601 nan 8.280 nan 0.000 0.624 531 S N -4.425 111.214 115.700 -0.103 0.000 2.391 531 S HA -0.002 4.468 4.470 -0.000 0.000 0.275 531 S C 1.324 175.875 174.600 -0.082 0.000 1.032 531 S CA 0.031 58.201 58.200 -0.050 0.000 1.421 531 S CB 0.265 63.451 63.200 -0.023 0.000 1.176 531 S HN 0.234 nan 8.310 nan 0.000 0.615 532 T N 1.259 115.719 114.554 -0.155 0.000 3.023 532 T HA 0.490 4.840 4.350 -0.000 0.000 0.249 532 T C 1.521 176.143 174.700 -0.131 0.000 1.050 532 T CA 0.842 62.866 62.100 -0.127 0.000 1.088 532 T CB 0.129 68.916 68.868 -0.134 0.000 0.946 532 T HN 1.235 nan 8.240 nan 0.000 0.480 533 G N 1.679 110.328 108.800 -0.252 0.000 2.159 533 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 533 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 533 G C 0.211 175.093 174.900 -0.031 0.000 0.977 533 G CA 0.486 45.523 45.100 -0.105 0.000 0.652 533 G HN 0.532 nan 8.290 nan 0.000 0.531 534 K N -1.009 119.277 120.400 -0.189 0.000 2.346 534 K HA 0.931 5.250 4.320 -0.000 0.000 0.238 534 K C 0.538 177.064 176.600 -0.124 0.000 1.039 534 K CA -0.075 56.174 56.287 -0.062 0.000 0.861 534 K CB 1.606 34.076 32.500 -0.051 0.000 1.278 534 K HN 1.488 nan 8.250 nan 0.000 0.460 535 A N 0.418 123.232 122.820 -0.010 0.000 2.304 535 A HA 0.340 4.660 4.320 -0.000 0.000 0.271 535 A C 1.563 179.118 177.584 -0.049 0.000 1.091 535 A CA 0.438 52.475 52.037 -0.001 0.000 0.812 535 A CB -0.247 18.780 19.000 0.045 0.000 1.056 535 A HN 0.959 nan 8.150 nan 0.000 0.489 536 T N -1.418 113.113 114.554 -0.039 0.000 2.929 536 T HA 0.020 4.370 4.350 -0.000 0.000 0.271 536 T C 0.414 175.086 174.700 -0.046 0.000 1.085 536 T CA 1.316 63.390 62.100 -0.044 0.000 1.125 536 T CB -0.491 68.366 68.868 -0.019 0.000 0.874 536 T HN 0.396 nan 8.240 nan 0.000 0.494 537 V N 3.137 123.030 119.914 -0.036 0.000 2.487 537 V HA 0.668 4.788 4.120 -0.000 0.000 0.298 537 V C -0.882 175.176 176.094 -0.060 0.000 1.028 537 V CA -1.081 61.186 62.300 -0.055 0.000 0.860 537 V CB 1.442 33.243 31.823 -0.037 0.000 0.991 537 V HN 0.795 nan 8.190 nan 0.000 0.427 538 N N 3.032 121.677 118.700 -0.091 0.000 2.710 538 N HA 0.686 5.426 4.740 -0.000 0.000 0.257 538 N C -1.841 173.586 175.510 -0.138 0.000 1.327 538 N CA -0.764 52.230 53.050 -0.093 0.000 0.861 538 N CB 2.268 40.721 38.487 -0.057 0.000 1.532 538 N HN 0.230 nan 8.380 nan 0.000 0.499 539 V N 0.746 120.574 119.914 -0.142 0.000 2.483 539 V HA 0.543 4.663 4.120 -0.000 0.000 0.297 539 V C -2.321 173.731 176.094 -0.070 0.000 1.027 539 V CA -1.523 60.683 62.300 -0.157 0.000 0.855 539 V CB 1.712 33.354 31.823 -0.302 0.000 0.995 539 V HN 0.703 nan 8.190 nan 0.000 0.424 540 P HA 0.157 nan 4.420 nan 0.000 0.255 540 P C 0.993 178.293 177.300 0.001 0.000 1.173 540 P CA 1.668 64.756 63.100 -0.020 0.000 0.780 540 P CB 0.170 31.858 31.700 -0.019 0.000 0.758 541 G N 1.757 110.562 108.800 0.008 0.000 2.195 541 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.246 541 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.246 541 G C 0.022 174.944 174.900 0.036 0.000 0.984 541 G CA -0.352 44.761 45.100 0.022 0.000 0.633 541 G HN 0.527 nan 8.290 nan 0.000 0.525 542 Q N 0.073 119.895 119.800 0.037 0.000 2.423 542 Q HA 0.425 4.765 4.340 -0.000 0.000 0.278 542 Q C -0.764 175.266 176.000 0.050 0.000 1.097 542 Q CA -0.846 54.994 55.803 0.062 0.000 0.809 542 Q CB 1.439 30.247 28.738 0.117 0.000 1.391 542 Q HN 0.315 nan 8.270 nan 0.000 0.428 543 N N 0.510 119.248 118.700 0.064 0.000 2.479 543 N HA 0.359 5.099 4.740 -0.000 0.000 0.285 543 N C -0.672 174.887 175.510 0.081 0.000 1.075 543 N CA -0.167 52.919 53.050 0.059 0.000 0.967 543 N CB 1.519 40.040 38.487 0.056 0.000 1.137 543 N HN 0.179 nan 8.380 nan 0.000 0.472 544 V N 0.769 120.721 119.914 0.064 0.000 2.459 544 V HA 0.554 4.673 4.120 -0.000 0.000 0.295 544 V C 0.217 176.359 176.094 0.080 0.000 1.029 544 V CA -1.169 61.179 62.300 0.079 0.000 0.874 544 V CB 1.444 33.279 31.823 0.021 0.000 0.985 544 V HN 0.751 nan 8.190 nan 0.000 0.438 545 A N 6.319 129.194 122.820 0.092 0.000 2.309 545 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 545 A C -0.494 177.134 177.584 0.073 0.000 1.206 545 A CA -0.154 51.937 52.037 0.089 0.000 0.850 545 A CB 0.039 19.089 19.000 0.083 0.000 1.118 545 A HN 0.799 nan 8.150 nan 0.000 0.523 546 L N 1.397 122.671 121.223 0.085 0.000 2.279 546 L HA 0.829 5.169 4.340 -0.000 0.000 0.262 546 L C -0.339 176.573 176.870 0.070 0.000 1.019 546 L CA -1.131 53.745 54.840 0.061 0.000 0.823 546 L CB 2.301 44.393 42.059 0.054 0.000 1.358 546 L HN 0.669 nan 8.230 nan 0.000 0.432 547 K N 0.843 121.265 120.400 0.037 0.000 2.589 547 K HA 0.246 4.566 4.320 -0.000 0.000 0.298 547 K C -1.087 175.530 176.600 0.028 0.000 1.136 547 K CA -0.130 56.165 56.287 0.012 0.000 1.020 547 K CB 1.133 33.660 32.500 0.046 0.000 1.345 547 K HN 0.678 nan 8.250 nan 0.000 0.478 548 S N 1.067 116.767 115.700 0.000 0.000 2.713 548 S HA 0.958 5.428 4.470 -0.000 0.000 0.283 548 S C 0.279 174.870 174.600 -0.014 0.000 1.161 548 S CA -0.270 57.945 58.200 0.024 0.000 0.999 548 S CB 1.808 65.019 63.200 0.018 0.000 1.039 548 S HN 0.805 nan 8.310 nan 0.000 0.548 549 G N -0.677 108.114 108.800 -0.014 0.000 2.632 549 G HA2 0.538 4.498 3.960 -0.000 0.000 0.292 549 G HA3 0.538 4.498 3.960 -0.000 0.000 0.292 549 G C -1.581 173.228 174.900 -0.151 0.000 1.465 549 G CA -0.652 44.413 45.100 -0.059 0.000 0.824 549 G HN 0.736 nan 8.290 nan 0.000 0.509 550 T N 0.391 114.823 114.554 -0.202 0.000 2.812 550 T HA 0.708 5.058 4.350 -0.000 0.000 0.282 550 T C -0.068 174.478 174.700 -0.258 0.000 0.990 550 T CA 0.063 61.936 62.100 -0.379 0.000 0.960 550 T CB 1.371 70.014 68.868 -0.375 0.000 0.948 550 T HN 1.159 nan 8.240 nan 0.000 0.438 551 A N 3.518 126.164 122.820 -0.289 0.000 2.318 551 A HA 0.684 5.004 4.320 -0.000 0.000 0.324 551 A C -0.169 177.289 177.584 -0.210 0.000 1.170 551 A CA -0.755 51.177 52.037 -0.175 0.000 0.810 551 A CB 0.772 19.742 19.000 -0.049 0.000 1.198 551 A HN 0.801 nan 8.150 nan 0.000 0.484 552 E N 1.452 121.510 120.200 -0.236 0.000 2.283 552 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 552 E C -0.805 175.788 176.600 -0.011 0.000 1.027 552 E CA -0.148 56.105 56.400 -0.244 0.000 0.843 552 E CB 1.313 30.634 29.700 -0.631 0.000 1.062 552 E HN 0.596 nan 8.360 nan 0.000 0.401 553 I N 2.536 123.173 120.570 0.111 0.000 2.365 553 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 553 I C 0.501 176.806 176.117 0.313 0.000 1.004 553 I CA -0.596 60.816 61.300 0.188 0.000 1.311 553 I CB 1.361 39.424 38.000 0.105 0.000 1.401 553 I HN 0.528 nan 8.210 nan 0.000 0.491 554 A N 5.066 128.008 122.820 0.204 0.000 2.466 554 A HA 0.042 4.362 4.320 -0.000 0.000 0.238 554 A C -0.070 177.510 177.584 -0.006 0.000 1.074 554 A CA -0.134 51.890 52.037 -0.022 0.000 0.774 554 A CB 0.168 19.105 19.000 -0.104 0.000 1.015 554 A HN 0.774 nan 8.150 nan 0.000 0.498 555 D N 1.310 121.669 120.400 -0.069 0.000 2.412 555 D HA 0.413 5.053 4.640 -0.000 0.000 0.224 555 D C 1.269 177.545 176.300 -0.039 0.000 1.093 555 D CA 0.567 54.553 54.000 -0.025 0.000 0.850 555 D CB 1.109 41.899 40.800 -0.016 0.000 1.046 555 D HN 0.682 nan 8.370 nan 0.000 0.507 556 E N 3.368 123.557 120.200 -0.017 0.000 2.153 556 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 556 E C 1.872 178.461 176.600 -0.017 0.000 0.988 556 E CA 2.126 58.515 56.400 -0.018 0.000 0.811 556 E CB -0.565 nan 29.700 nan 0.000 0.746 556 E HN 0.651 nan 8.360 nan 0.000 0.466 557 K N 0.763 121.157 120.400 -0.011 0.000 2.063 557 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 557 K C 1.958 178.550 176.600 -0.014 0.000 1.039 557 K CA 1.167 57.449 56.287 -0.009 0.000 0.957 557 K CB -0.671 nan 32.500 nan 0.000 0.764 557 K HN 0.575 nan 8.250 nan 0.000 0.447 558 N N -0.592 118.099 118.700 -0.014 0.000 2.353 558 N HA 0.295 5.035 4.740 -0.000 0.000 0.185 558 N C 0.589 176.082 175.510 -0.029 0.000 1.098 558 N CA 0.057 53.098 53.050 -0.015 0.000 0.872 558 N CB 0.613 39.097 38.487 -0.006 0.000 0.970 558 N HN 0.672 nan 8.380 nan 0.000 0.467 559 G N 0.348 109.119 108.800 -0.047 0.000 2.756 559 G HA2 0.173 4.133 3.960 -0.000 0.000 0.678 559 G HA3 0.173 4.133 3.960 -0.000 0.000 0.678 559 G C 0.188 175.028 174.900 -0.100 0.000 1.349 559 G CA -0.660 44.392 45.100 -0.080 0.000 0.847 559 G HN 0.633 nan 8.290 nan 0.000 0.548 560 G N -1.230 107.467 108.800 -0.173 0.000 2.553 560 G HA2 0.220 4.180 3.960 -0.000 0.000 0.242 560 G HA3 0.220 4.180 3.960 -0.000 0.000 0.242 560 G C -0.321 174.386 174.900 -0.322 0.000 1.277 560 G CA 0.646 45.630 45.100 -0.193 0.000 0.910 560 G HN 1.947 nan 8.290 nan 0.000 0.576 561 Y N -0.260 120.046 120.300 0.009 0.000 2.429 561 Y HA 0.642 5.191 4.550 -0.000 0.000 0.342 561 Y C 1.152 177.058 175.900 0.010 0.000 1.004 561 Y CA -0.896 57.208 58.100 0.007 0.000 1.075 561 Y CB 1.464 39.928 38.460 0.007 0.000 1.214 561 Y HN 0.606 nan 8.280 nan 0.000 0.455 562 L N 2.480 123.811 121.223 0.179 0.000 2.499 562 L HA 0.090 4.430 4.340 -0.000 0.000 0.281 562 L C 0.483 177.414 176.870 0.101 0.000 1.234 562 L CA 0.433 55.337 54.840 0.106 0.000 0.839 562 L CB 0.093 42.203 42.059 0.086 0.000 1.104 562 L HN 0.685 nan 8.230 nan 0.000 0.500 563 T N 0.244 114.841 114.554 0.072 0.000 2.910 563 T HA 0.686 5.036 4.350 -0.000 0.000 0.279 563 T C 0.110 174.843 174.700 0.055 0.000 0.989 563 T CA 0.080 62.217 62.100 0.063 0.000 0.968 563 T CB 1.646 70.546 68.868 0.054 0.000 1.135 563 T HN 1.004 nan 8.240 nan 0.000 0.562 564 G N 0.529 109.361 108.800 0.054 0.000 2.911 564 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.686 564 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.686 564 G C 0.494 175.437 174.900 0.071 0.000 1.136 564 G CA -0.095 45.039 45.100 0.057 0.000 0.764 564 G HN 1.058 nan 8.290 nan 0.000 0.626 565 S N -0.641 115.112 115.700 0.087 0.000 2.607 565 S HA 0.084 4.553 4.470 -0.000 0.000 0.224 565 S C 1.954 176.672 174.600 0.198 0.000 0.969 565 S CA 1.911 60.187 58.200 0.126 0.000 0.927 565 S CB -0.032 63.243 63.200 0.125 0.000 0.772 565 S HN 2.045 nan 8.310 nan 0.000 0.533 566 T N -1.902 112.745 114.554 0.155 0.000 2.990 566 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 566 T C 0.672 175.484 174.700 0.187 0.000 1.041 566 T CA -0.344 61.872 62.100 0.195 0.000 1.010 566 T CB -0.462 68.453 68.868 0.078 0.000 1.003 566 T HN 0.229 nan 8.240 nan 0.000 0.499 567 N N 3.098 121.860 118.700 0.103 0.000 3.103 567 N HA 0.279 5.019 4.740 -0.000 0.000 0.305 567 N C -0.960 174.557 175.510 0.012 0.000 1.232 567 N CA 0.181 53.271 53.050 0.066 0.000 1.190 567 N CB -0.036 38.484 38.487 0.056 0.000 1.461 567 N HN 0.552 nan 8.380 nan 0.000 0.538 568 N N -0.344 118.342 118.700 -0.023 0.000 2.972 568 N HA 0.501 5.241 4.740 -0.000 0.000 0.262 568 N C -0.971 174.410 175.510 -0.214 0.000 1.478 568 N CA -0.577 52.330 53.050 -0.240 0.000 0.841 568 N CB 1.675 39.778 38.487 -0.641 0.000 1.512 568 N HN 0.023 nan 8.380 nan 0.000 0.548 569 I N 1.718 122.107 120.570 -0.302 0.000 2.428 569 I HA 0.353 4.522 4.170 -0.000 0.000 0.279 569 I C -0.993 174.952 176.117 -0.286 0.000 1.040 569 I CA -0.423 60.785 61.300 -0.154 0.000 1.171 569 I CB 0.246 38.216 38.000 -0.050 0.000 1.312 569 I HN 0.298 nan 8.210 nan 0.000 0.470 570 F N 4.345 124.149 119.950 -0.245 0.000 2.456 570 F HA 0.359 4.886 4.527 -0.000 0.000 0.358 570 F C 1.034 176.702 175.800 -0.220 0.000 1.095 570 F CA -0.102 57.666 58.000 -0.387 0.000 1.216 570 F CB 0.921 39.318 39.000 -1.005 0.000 1.125 570 F HN 0.414 nan 8.300 nan 0.000 0.549 571 S N 1.281 116.982 115.700 0.002 0.000 2.651 571 S HA 0.957 5.427 4.470 -0.000 0.000 0.279 571 S C -1.233 173.433 174.600 0.111 0.000 1.148 571 S CA -0.883 57.333 58.200 0.027 0.000 0.837 571 S CB 2.111 65.349 63.200 0.063 0.000 1.138 571 S HN 0.389 nan 8.310 nan 0.000 0.478 572 V N 0.296 120.289 119.914 0.133 0.000 3.048 572 V HA 0.790 4.910 4.120 -0.000 0.000 0.303 572 V C -1.274 174.950 176.094 0.217 0.000 1.214 572 V CA -0.712 61.687 62.300 0.164 0.000 0.984 572 V CB 1.799 33.705 31.823 0.138 0.000 1.054 572 V HN 1.019 nan 8.190 nan 0.000 0.430 573 V N 3.281 123.256 119.914 0.102 0.000 2.577 573 V HA 0.907 5.027 4.120 -0.000 0.000 0.303 573 V C -0.305 175.740 176.094 -0.082 0.000 1.042 573 V CA 0.262 62.522 62.300 -0.066 0.000 0.872 573 V CB 2.184 33.686 31.823 -0.536 0.000 0.998 573 V HN 1.241 nan 8.190 nan 0.000 0.423 574 S N 7.165 122.836 115.700 -0.050 0.000 2.566 574 S HA 0.895 5.365 4.470 -0.000 0.000 0.298 574 S C -0.881 173.744 174.600 0.041 0.000 1.083 574 S CA -0.864 57.344 58.200 0.014 0.000 0.978 574 S CB 2.035 65.265 63.200 0.051 0.000 1.073 574 S HN 0.788 nan 8.310 nan 0.000 0.491 575 M N 4.239 123.896 119.600 0.095 0.000 2.206 575 M HA 0.405 4.885 4.480 -0.000 0.000 0.272 575 M C -1.182 175.230 176.300 0.187 0.000 1.012 575 M CA -0.422 54.940 55.300 0.103 0.000 0.986 575 M CB 2.170 34.790 32.600 0.033 0.000 1.740 575 M HN 1.011 nan 8.290 nan 0.000 0.472 576 H N 1.266 120.382 119.070 0.077 0.000 2.996 576 H HA 0.598 5.154 4.556 -0.000 0.000 0.368 576 H C -3.459 171.920 175.328 0.085 0.000 1.185 576 H CA -2.347 53.750 56.048 0.082 0.000 1.160 576 H CB 1.786 31.606 29.762 0.096 0.000 1.820 576 H HN 0.247 nan 8.280 nan 0.000 0.547 577 P HA 0.106 nan 4.420 nan 0.000 0.271 577 P C 0.902 178.250 177.300 0.081 0.000 1.233 577 P CA 0.612 63.788 63.100 0.126 0.000 0.764 577 P CB 0.771 32.518 31.700 0.079 0.000 0.825 578 A N 4.446 127.330 122.820 0.108 0.000 2.038 578 A HA -0.305 4.015 4.320 -0.000 0.000 0.224 578 A C 1.709 179.323 177.584 0.049 0.000 1.190 578 A CA 2.086 54.169 52.037 0.077 0.000 0.668 578 A CB -0.892 18.155 19.000 0.078 0.000 0.820 578 A HN 0.522 nan 8.150 nan 0.000 0.474 579 E N -1.018 119.207 120.200 0.041 0.000 2.158 579 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 579 E C 0.944 177.553 176.600 0.015 0.000 0.982 579 E CA 1.095 57.512 56.400 0.029 0.000 0.823 579 E CB -0.048 29.668 29.700 0.027 0.000 0.766 579 E HN 0.797 nan 8.360 nan 0.000 0.468 580 N N -0.034 118.668 118.700 0.003 0.000 2.824 580 N HA 0.150 4.890 4.740 -0.000 0.000 0.224 580 N C -2.943 172.536 175.510 -0.052 0.000 1.418 580 N CA -1.424 51.614 53.050 -0.019 0.000 0.743 580 N CB 0.707 39.182 38.487 -0.021 0.000 1.395 580 N HN -0.205 nan 8.380 nan 0.000 0.548 581 P HA 0.004 nan 4.420 nan 0.000 0.264 581 P C -0.454 176.710 177.300 -0.228 0.000 1.179 581 P CA 0.302 63.336 63.100 -0.109 0.000 0.763 581 P CB 0.775 32.441 31.700 -0.057 0.000 0.806 582 D N 0.754 120.900 120.400 -0.424 0.000 2.469 582 D HA 0.165 4.805 4.640 -0.000 0.000 0.240 582 D C -0.083 175.556 176.300 -1.101 0.000 1.087 582 D CA 0.855 54.368 54.000 -0.812 0.000 0.876 582 D CB 0.278 40.401 40.800 -1.127 0.000 1.160 582 D HN 0.268 nan 8.370 nan 0.000 0.497 583 F N 0.593 120.390 119.950 -0.255 0.000 2.569 583 F HA 0.491 5.018 4.527 -0.000 0.000 0.312 583 F C -0.218 175.532 175.800 -0.084 0.000 1.109 583 F CA -0.917 56.984 58.000 -0.165 0.000 0.919 583 F CB 1.983 40.866 39.000 -0.194 0.000 1.211 583 F HN -0.378 nan 8.300 nan 0.000 0.446 584 I N 3.983 124.644 120.570 0.151 0.000 2.433 584 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 584 I C -1.377 174.808 176.117 0.112 0.000 1.001 584 I CA -1.008 60.345 61.300 0.088 0.000 1.119 584 I CB 2.091 40.127 38.000 0.059 0.000 1.289 584 I HN 0.386 nan 8.210 nan 0.000 0.438 585 L N 7.643 128.916 121.223 0.083 0.000 2.385 585 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 585 L C -1.850 175.113 176.870 0.155 0.000 0.990 585 L CA -0.497 54.406 54.840 0.105 0.000 0.821 585 L CB 1.612 43.711 42.059 0.066 0.000 1.279 585 L HN 0.444 nan 8.230 nan 0.000 0.412 586 Y N 5.152 125.477 120.300 0.042 0.000 2.327 586 Y HA 0.717 5.267 4.550 -0.000 0.000 0.325 586 Y C -1.398 174.572 175.900 0.117 0.000 0.999 586 Y CA -0.996 57.151 58.100 0.077 0.000 1.195 586 Y CB 1.512 40.073 38.460 0.169 0.000 1.132 586 Y HN 0.424 nan 8.280 nan 0.000 0.455 587 V N 4.876 124.714 119.914 -0.127 0.000 2.667 587 V HA 0.749 4.869 4.120 -0.000 0.000 0.308 587 V C -0.203 175.699 176.094 -0.319 0.000 1.048 587 V CA -0.477 61.746 62.300 -0.129 0.000 0.928 587 V CB 1.921 33.809 31.823 0.108 0.000 1.004 587 V HN 0.817 nan 8.190 nan 0.000 0.444 588 T N 0.628 115.038 114.554 -0.240 0.000 2.933 588 T HA 0.784 5.134 4.350 -0.000 0.000 0.305 588 T C -1.304 173.360 174.700 -0.060 0.000 1.092 588 T CA -0.644 61.330 62.100 -0.209 0.000 1.008 588 T CB 1.812 70.472 68.868 -0.348 0.000 1.102 588 T HN 0.404 nan 8.240 nan 0.000 0.469 589 V N 3.125 123.050 119.914 0.018 0.000 2.524 589 V HA 0.485 4.605 4.120 -0.000 0.000 0.297 589 V C -0.425 175.723 176.094 0.091 0.000 1.035 589 V CA -0.737 61.590 62.300 0.045 0.000 0.867 589 V CB 1.553 33.444 31.823 0.115 0.000 1.004 589 V HN 1.045 nan 8.190 nan 0.000 0.426 590 Q N 3.391 123.228 119.800 0.061 0.000 2.290 590 Q HA 0.454 4.793 4.340 -0.000 0.000 0.259 590 Q C -0.281 175.766 176.000 0.078 0.000 0.941 590 Q CA -0.426 55.436 55.803 0.098 0.000 0.912 590 Q CB 0.960 29.783 28.738 0.140 0.000 1.244 590 Q HN 0.746 nan 8.270 nan 0.000 0.441 591 Q N 2.199 122.069 119.800 0.117 0.000 2.437 591 Q HA -0.205 4.135 4.340 -0.000 0.000 0.354 591 Q C -2.250 173.736 176.000 -0.023 0.000 1.402 591 Q CA 0.260 56.106 55.803 0.072 0.000 1.020 591 Q CB -1.091 27.668 28.738 0.034 0.000 1.220 591 Q HN 0.546 nan 8.270 nan 0.000 0.368 592 P HA 0.036 nan 4.420 nan 0.000 0.307 592 P C 0.234 177.392 177.300 -0.237 0.000 1.306 592 P CA 0.034 63.016 63.100 -0.196 0.000 0.742 592 P CB 0.822 32.375 31.700 -0.244 0.000 1.349 593 E N -1.797 118.146 120.200 -0.427 0.000 2.206 593 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 593 E C -0.223 176.088 176.600 -0.482 0.000 0.935 593 E CA 0.647 56.734 56.400 -0.521 0.000 0.875 593 E CB 0.052 29.250 29.700 -0.837 0.000 0.841 593 E HN 0.585 nan 8.360 nan 0.000 0.477 594 H N -1.594 117.395 119.070 -0.135 0.000 3.172 594 H HA 0.327 4.883 4.556 -0.000 0.000 0.322 594 H C -1.666 173.542 175.328 -0.199 0.000 1.003 594 H CA -0.815 55.152 56.048 -0.135 0.000 1.466 594 H CB 0.125 29.819 29.762 -0.115 0.000 1.673 594 H HN -0.017 nan 8.280 nan 0.000 0.512 595 Y N 2.582 122.709 120.300 -0.289 0.000 2.360 595 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 595 Y C -0.327 175.442 175.900 -0.217 0.000 1.039 595 Y CA -0.538 57.319 58.100 -0.405 0.000 1.109 595 Y CB 1.733 39.615 38.460 -0.964 0.000 1.201 595 Y HN 0.736 nan 8.280 nan 0.000 0.458 596 S N 2.939 118.292 115.700 -0.578 0.000 2.549 596 S HA 0.481 4.951 4.470 -0.000 0.000 0.280 596 S C 0.712 175.121 174.600 -0.318 0.000 1.109 596 S CA -0.145 57.898 58.200 -0.260 0.000 0.905 596 S CB 1.289 64.394 63.200 -0.160 0.000 1.081 596 S HN 1.037 nan 8.310 nan 0.000 0.477 597 G N 2.450 111.212 108.800 -0.064 0.000 2.422 597 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.218 597 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.218 597 G C 1.135 175.999 174.900 -0.059 0.000 1.140 597 G CA 0.799 45.895 45.100 -0.006 0.000 0.775 597 G HN 0.728 nan 8.290 nan 0.000 0.545 598 I N 0.036 120.563 120.570 -0.070 0.000 2.233 598 I HA -0.163 4.006 4.170 -0.000 0.000 0.243 598 I C 2.975 179.052 176.117 -0.067 0.000 1.093 598 I CA 0.952 62.214 61.300 -0.063 0.000 1.380 598 I CB -0.336 37.633 38.000 -0.052 0.000 1.067 598 I HN 0.198 nan 8.210 nan 0.000 0.413 599 Q N 0.432 120.187 119.800 -0.075 0.000 2.152 599 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 599 Q C 2.264 178.298 176.000 0.057 0.000 0.985 599 Q CA 1.703 57.510 55.803 0.007 0.000 0.863 599 Q CB -0.317 28.411 28.738 -0.017 0.000 0.904 599 Q HN 0.434 nan 8.270 nan 0.000 0.422 600 L N 0.335 121.532 121.223 -0.044 0.000 1.976 600 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 600 L C 2.208 178.963 176.870 -0.191 0.000 1.071 600 L CA 2.358 57.096 54.840 -0.169 0.000 0.746 600 L CB -1.075 40.969 42.059 -0.025 0.000 0.890 600 L HN 0.168 nan 8.230 nan 0.000 0.432 601 G N -1.026 107.709 108.800 -0.109 0.000 2.505 601 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 601 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 601 G C 1.380 176.196 174.900 -0.139 0.000 1.145 601 G CA 1.081 46.114 45.100 -0.112 0.000 0.761 601 G HN 0.618 nan 8.290 nan 0.000 0.571 602 E N -0.484 119.650 120.200 -0.111 0.000 2.118 602 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 602 E C 2.080 178.596 176.600 -0.139 0.000 0.992 602 E CA 1.106 57.451 56.400 -0.093 0.000 0.804 602 E CB -0.244 29.433 29.700 -0.038 0.000 0.741 602 E HN 0.563 nan 8.360 nan 0.000 0.458 603 F N 1.147 120.859 119.950 -0.398 0.000 2.128 603 F HA -0.010 4.517 4.527 -0.000 0.000 0.295 603 F C 2.113 177.653 175.800 -0.434 0.000 1.100 603 F CA 1.532 59.217 58.000 -0.525 0.000 1.260 603 F CB -0.237 38.104 39.000 -1.098 0.000 1.009 603 F HN -0.081 nan 8.300 nan 0.000 0.476 604 A N 0.015 122.437 122.820 -0.663 0.000 2.095 604 A HA 0.046 4.365 4.320 -0.000 0.000 0.212 604 A C 1.952 179.274 177.584 -0.436 0.000 1.162 604 A CA 0.686 52.296 52.037 -0.711 0.000 0.753 604 A CB -0.678 18.129 19.000 -0.322 0.000 0.840 604 A HN 0.465 nan 8.150 nan 0.000 0.468 605 N N 0.523 119.039 118.700 -0.307 0.000 2.106 605 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 605 N C -0.879 174.519 175.510 -0.186 0.000 1.029 605 N CA 1.546 54.467 53.050 -0.215 0.000 0.848 605 N CB -1.345 37.051 38.487 -0.151 0.000 1.007 605 N HN 0.252 nan 8.380 nan 0.000 0.423 606 P HA -0.055 nan 4.420 nan 0.000 0.218 606 P C 1.562 178.885 177.300 0.038 0.000 1.148 606 P CA 0.878 63.968 63.100 -0.016 0.000 0.822 606 P CB 0.050 31.775 31.700 0.040 0.000 0.784 607 I N -1.355 119.090 120.570 -0.208 0.000 2.133 607 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 607 I C 2.215 178.234 176.117 -0.163 0.000 1.074 607 I CA 1.342 62.521 61.300 -0.201 0.000 1.342 607 I CB -0.851 36.872 38.000 -0.462 0.000 1.053 607 I HN -0.129 nan 8.210 nan 0.000 0.404 608 L N 0.377 121.482 121.223 -0.197 0.000 2.261 608 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 608 L C 2.617 179.413 176.870 -0.123 0.000 1.114 608 L CA 0.969 55.724 54.840 -0.142 0.000 0.777 608 L CB -0.541 41.378 42.059 -0.233 0.000 0.910 608 L HN 0.343 nan 8.230 nan 0.000 0.440 609 E N 0.656 120.789 120.200 -0.112 0.000 2.021 609 E HA -0.197 4.153 4.350 -0.000 0.000 0.189 609 E C 2.225 178.795 176.600 -0.050 0.000 0.980 609 E CA 0.857 57.219 56.400 -0.065 0.000 0.803 609 E CB 0.060 29.730 29.700 -0.052 0.000 0.766 609 E HN 0.165 nan 8.360 nan 0.000 0.449 610 R N 0.871 121.349 120.500 -0.037 0.000 2.117 610 R HA -0.113 4.227 4.340 -0.000 0.000 0.243 610 R C 2.113 178.350 176.300 -0.105 0.000 1.143 610 R CA 1.792 57.858 56.100 -0.056 0.000 0.968 610 R CB -0.714 29.580 30.300 -0.009 0.000 0.863 610 R HN 0.189 nan 8.270 nan 0.000 0.444 611 A N -0.897 121.797 122.820 -0.210 0.000 1.858 611 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 611 A C 2.270 179.607 177.584 -0.413 0.000 1.190 611 A CA 1.926 53.666 52.037 -0.496 0.000 0.617 611 A CB -0.873 17.550 19.000 -0.961 0.000 0.827 611 A HN 0.402 nan 8.150 nan 0.000 0.443 612 S N -0.410 115.189 115.700 -0.170 0.000 2.419 612 S HA -0.000 4.470 4.470 -0.000 0.000 0.233 612 S C 2.167 176.844 174.600 0.127 0.000 1.016 612 S CA 1.069 59.388 58.200 0.198 0.000 0.974 612 S CB -0.386 62.989 63.200 0.292 0.000 0.786 612 S HN 0.765 nan 8.310 nan 0.000 0.492 613 A N 1.804 124.646 122.820 0.036 0.000 1.832 613 A HA 0.023 4.342 4.320 -0.000 0.000 0.214 613 A C 2.029 179.633 177.584 0.033 0.000 1.200 613 A CA 1.281 53.334 52.037 0.025 0.000 0.610 613 A CB -0.626 18.366 19.000 -0.013 0.000 0.842 613 A HN 0.490 nan 8.150 nan 0.000 0.444 614 M N -0.272 119.335 119.600 0.012 0.000 2.632 614 M HA -0.088 4.392 4.480 -0.000 0.000 0.256 614 M C 1.859 178.206 176.300 0.080 0.000 1.080 614 M CA 1.316 56.633 55.300 0.028 0.000 1.084 614 M CB -0.406 32.198 32.600 0.007 0.000 1.439 614 M HN 0.537 nan 8.290 nan 0.000 0.509 615 K N 1.351 121.834 120.400 0.140 0.000 2.148 615 K HA -0.306 4.014 4.320 -0.000 0.000 0.213 615 K C 1.777 178.455 176.600 0.129 0.000 1.050 615 K CA 2.233 58.654 56.287 0.223 0.000 0.932 615 K CB -0.049 32.613 32.500 0.270 0.000 0.717 615 K HN 0.145 nan 8.250 nan 0.000 0.462 616 E N 0.365 120.617 120.200 0.086 0.000 2.110 616 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 616 E C 1.907 178.538 176.600 0.052 0.000 0.988 616 E CA 1.773 58.207 56.400 0.058 0.000 0.804 616 E CB -0.148 29.577 29.700 0.042 0.000 0.745 616 E HN 0.513 nan 8.360 nan 0.000 0.458 617 S N -0.439 115.293 115.700 0.053 0.000 2.428 617 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 617 S C 1.720 176.356 174.600 0.061 0.000 1.014 617 S CA 0.918 59.147 58.200 0.048 0.000 0.957 617 S CB -0.445 62.778 63.200 0.039 0.000 0.784 617 S HN 0.265 nan 8.310 nan 0.000 0.499 618 L N 0.751 122.023 121.223 0.082 0.000 2.552 618 L HA 0.350 4.690 4.340 -0.000 0.000 0.227 618 L C 0.032 176.952 176.870 0.085 0.000 1.146 618 L CA 0.004 54.901 54.840 0.096 0.000 0.858 618 L CB -1.865 40.272 42.059 0.129 0.000 0.969 618 L HN 0.122 nan 8.230 nan 0.000 0.451 619 N N 0.215 118.955 118.700 0.066 0.000 2.699 619 N HA -0.193 4.547 4.740 -0.000 0.000 0.256 619 N C 0.648 176.188 175.510 0.049 0.000 0.993 619 N CA 0.380 53.458 53.050 0.048 0.000 0.759 619 N CB -0.919 37.590 38.487 0.038 0.000 0.906 619 N HN 0.172 nan 8.380 nan 0.000 0.541 620 L N -1.012 120.243 121.223 0.053 0.000 2.270 620 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 620 L C 2.460 179.343 176.870 0.022 0.000 1.107 620 L CA 2.648 57.514 54.840 0.043 0.000 0.772 620 L CB -1.775 40.290 42.059 0.010 0.000 0.902 620 L HN 0.816 nan 8.230 nan 0.000 0.439 621 Q N -0.380 119.428 119.800 0.013 0.000 2.172 621 Q HA 0.362 4.702 4.340 -0.000 0.000 0.217 621 Q C 0.849 176.854 176.000 0.008 0.000 0.832 621 Q CA 0.635 56.441 55.803 0.006 0.000 1.010 621 Q CB 0.045 28.780 28.738 -0.004 0.000 1.133 621 Q HN 0.621 nan 8.270 nan 0.000 0.489 622 T N -5.874 108.688 114.554 0.013 0.000 2.630 622 T HA 0.464 4.814 4.350 -0.000 0.000 0.300 622 T C 0.086 174.789 174.700 0.004 0.000 1.261 622 T CA 0.131 62.234 62.100 0.006 0.000 1.060 622 T CB 0.822 69.691 68.868 0.002 0.000 1.670 622 T HN 0.036 nan 8.240 nan 0.000 0.473 623 T N 1.341 115.889 114.554 -0.010 0.000 2.932 623 T HA 0.496 4.846 4.350 -0.000 0.000 0.312 623 T C 0.529 175.214 174.700 -0.025 0.000 1.071 623 T CA 0.291 62.374 62.100 -0.029 0.000 1.128 623 T CB -0.262 68.582 68.868 -0.041 0.000 0.984 623 T HN 0.967 nan 8.240 nan 0.000 0.549 624 A N 3.726 126.517 122.820 -0.048 0.000 2.454 624 A HA 0.532 4.851 4.320 -0.000 0.000 0.260 624 A C 1.620 179.161 177.584 -0.073 0.000 1.106 624 A CA 0.170 52.183 52.037 -0.040 0.000 0.780 624 A CB -0.160 18.813 19.000 -0.046 0.000 1.044 624 A HN 1.131 nan 8.150 nan 0.000 0.498 625 K N 2.444 122.820 120.400 -0.040 0.000 2.049 625 K HA -0.206 4.114 4.320 -0.000 0.000 0.219 625 K C 2.349 178.898 176.600 -0.085 0.000 1.056 625 K CA 3.166 59.423 56.287 -0.051 0.000 0.946 625 K CB -1.662 30.819 32.500 -0.032 0.000 0.723 625 K HN 1.771 nan 8.250 nan 0.000 0.453 626 A N 0.825 123.585 122.820 -0.101 0.000 1.903 626 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 626 A C 2.126 179.585 177.584 -0.208 0.000 1.191 626 A CA 1.734 53.683 52.037 -0.148 0.000 0.638 626 A CB -0.451 18.455 19.000 -0.156 0.000 0.823 626 A HN 0.565 nan 8.150 nan 0.000 0.451 627 L N -0.077 120.987 121.223 -0.265 0.000 2.777 627 L HA 0.050 4.390 4.340 -0.000 0.000 0.244 627 L C 1.572 178.353 176.870 -0.149 0.000 1.235 627 L CA -0.236 54.440 54.840 -0.273 0.000 1.062 627 L CB -0.418 41.412 42.059 -0.381 0.000 1.340 627 L HN 0.351 nan 8.230 nan 0.000 0.439 628 E N 0.271 120.404 120.200 -0.112 0.000 2.030 628 E HA -0.106 4.244 4.350 -0.000 0.000 0.189 628 E C 2.004 178.573 176.600 -0.051 0.000 0.974 628 E CA 0.842 57.201 56.400 -0.069 0.000 0.807 628 E CB 0.145 29.812 29.700 -0.055 0.000 0.771 628 E HN 0.486 nan 8.360 nan 0.000 0.451 629 Q N 0.755 120.525 119.800 -0.050 0.000 2.030 629 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 629 Q C 1.395 177.388 176.000 -0.012 0.000 0.986 629 Q CA 0.773 56.560 55.803 -0.027 0.000 0.843 629 Q CB -1.519 27.204 28.738 -0.025 0.000 0.904 629 Q HN 0.240 nan 8.270 nan 0.000 0.420 630 V N 1.689 121.598 119.914 -0.009 0.000 2.707 630 V HA -0.069 4.050 4.120 -0.000 0.000 0.291 630 V C 1.193 177.299 176.094 0.020 0.000 1.002 630 V CA 0.829 63.149 62.300 0.035 0.000 1.200 630 V CB -0.783 31.079 31.823 0.065 0.000 0.854 630 V HN 0.367 nan 8.190 nan 0.000 0.462 631 S N 2.568 118.282 115.700 0.023 0.000 2.514 631 S HA 0.116 4.585 4.470 -0.000 0.000 0.223 631 S C 0.741 175.350 174.600 0.016 0.000 1.046 631 S CA 0.051 58.259 58.200 0.013 0.000 0.914 631 S CB -0.062 63.142 63.200 0.008 0.000 0.807 631 S HN 0.986 nan 8.310 nan 0.000 0.497 632 Q N 1.490 121.305 119.800 0.024 0.000 2.261 632 Q HA 0.440 4.779 4.340 -0.000 0.000 0.252 632 Q C -0.948 175.065 176.000 0.021 0.000 0.915 632 Q CA -0.587 55.228 55.803 0.019 0.000 0.915 632 Q CB 0.582 29.331 28.738 0.018 0.000 1.204 632 Q HN 0.375 nan 8.270 nan 0.000 0.421 633 Q N 1.496 121.304 119.800 0.014 0.000 2.235 633 Q HA 0.339 4.679 4.340 -0.000 0.000 0.250 633 Q C -0.566 175.440 176.000 0.010 0.000 0.909 633 Q CA -0.587 55.224 55.803 0.014 0.000 0.910 633 Q CB 1.560 30.306 28.738 0.013 0.000 1.223 633 Q HN 0.611 nan 8.270 nan 0.000 0.432 634 S N 3.528 119.231 115.700 0.006 0.000 2.572 634 S HA 0.248 4.718 4.470 -0.000 0.000 0.279 634 S C -1.929 172.692 174.600 0.034 0.000 1.341 634 S CA -0.801 57.401 58.200 0.004 0.000 1.043 634 S CB 0.152 63.346 63.200 -0.009 0.000 0.887 634 S HN 0.468 nan 8.310 nan 0.000 0.516 635 P HA 0.357 nan 4.420 nan 0.000 0.287 635 P C -1.558 175.828 177.300 0.143 0.000 1.270 635 P CA -0.453 62.687 63.100 0.066 0.000 0.844 635 P CB 0.657 32.375 31.700 0.030 0.000 1.068 636 Y N 2.971 123.263 120.300 -0.013 0.000 2.332 636 Y HA 0.389 4.939 4.550 -0.000 0.000 0.325 636 Y C -2.802 173.093 175.900 -0.009 0.000 1.054 636 Y CA -2.693 55.400 58.100 -0.012 0.000 1.119 636 Y CB 2.064 40.517 38.460 -0.012 0.000 1.168 636 Y HN 0.226 nan 8.280 nan 0.000 0.439 637 P HA 0.198 nan 4.420 nan 0.000 0.288 637 P C -0.529 176.401 177.300 -0.616 0.000 1.267 637 P CA -0.543 62.307 63.100 -0.417 0.000 0.815 637 P CB 1.530 33.079 31.700 -0.251 0.000 0.989 638 M N 5.771 125.171 119.600 -0.333 0.000 2.269 638 M HA 0.236 4.716 4.480 -0.000 0.000 0.350 638 M C -2.458 173.725 176.300 -0.195 0.000 1.429 638 M CA -1.484 53.676 55.300 -0.233 0.000 1.063 638 M CB -0.559 31.980 32.600 -0.102 0.000 1.841 638 M HN 0.180 nan 8.290 nan 0.000 0.455 639 P HA 0.182 nan 4.420 nan 0.000 0.274 639 P C -1.164 176.105 177.300 -0.051 0.000 1.256 639 P CA -0.563 62.484 63.100 -0.089 0.000 0.795 639 P CB 0.698 32.379 31.700 -0.032 0.000 1.038 640 S N -0.158 115.520 115.700 -0.036 0.000 2.576 640 S HA 0.105 4.574 4.470 -0.000 0.000 0.276 640 S C 1.013 175.603 174.600 -0.017 0.000 1.339 640 S CA -0.523 57.661 58.200 -0.027 0.000 1.039 640 S CB -0.216 62.971 63.200 -0.022 0.000 0.902 640 S HN 0.292 nan 8.310 nan 0.000 0.516 641 V N 2.219 122.122 119.914 -0.019 0.000 3.647 641 V HA 0.398 4.517 4.120 -0.000 0.000 0.279 641 V C 0.757 176.840 176.094 -0.018 0.000 1.314 641 V CA -0.141 62.150 62.300 -0.016 0.000 1.125 641 V CB -0.984 30.824 31.823 -0.024 0.000 0.907 641 V HN 0.760 nan 8.190 nan 0.000 0.434 642 K N 1.555 121.944 120.400 -0.018 0.000 2.368 642 K HA 0.065 4.385 4.320 -0.000 0.000 0.282 642 K C -0.030 176.563 176.600 -0.010 0.000 1.035 642 K CA 0.251 56.528 56.287 -0.017 0.000 0.973 642 K CB 0.077 32.566 32.500 -0.017 0.000 0.957 642 K HN 0.454 nan 8.250 nan 0.000 0.474 643 D N 2.184 122.578 120.400 -0.010 0.000 2.697 643 D HA -0.248 4.392 4.640 -0.000 0.000 0.235 643 D C -0.555 175.746 176.300 0.000 0.000 1.167 643 D CA 1.146 55.143 54.000 -0.005 0.000 0.656 643 D CB -0.795 40.002 40.800 -0.004 0.000 1.025 643 D HN 0.537 nan 8.370 nan 0.000 0.419 644 I N 0.015 120.586 120.570 0.002 0.000 2.680 644 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 644 I C 0.010 176.133 176.117 0.011 0.000 1.244 644 I CA -0.532 60.773 61.300 0.009 0.000 1.042 644 I CB 1.762 39.770 38.000 0.013 0.000 1.277 644 I HN 0.008 nan 8.210 nan 0.000 0.423 645 S N 6.314 122.024 115.700 0.017 0.000 2.579 645 S HA 0.360 4.829 4.470 -0.000 0.000 0.275 645 S C -2.034 172.581 174.600 0.025 0.000 1.345 645 S CA -0.666 57.546 58.200 0.019 0.000 1.031 645 S CB 1.106 64.320 63.200 0.025 0.000 0.892 645 S HN 0.539 nan 8.310 nan 0.000 0.529 646 P HA -0.001 nan 4.420 nan 0.000 0.218 646 P C 1.623 178.949 177.300 0.044 0.000 1.148 646 P CA 1.579 64.698 63.100 0.033 0.000 0.822 646 P CB -0.368 31.353 31.700 0.035 0.000 0.784 647 G N -0.158 108.669 108.800 0.046 0.000 2.414 647 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 647 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 647 G C 1.253 176.187 174.900 0.057 0.000 1.188 647 G CA 0.823 45.956 45.100 0.056 0.000 0.783 647 G HN 0.144 nan 8.290 nan 0.000 0.537 648 D N 0.224 120.654 120.400 0.051 0.000 2.133 648 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 648 D C 2.349 178.678 176.300 0.048 0.000 0.997 648 D CA 0.329 54.359 54.000 0.050 0.000 0.840 648 D CB -0.307 40.518 40.800 0.042 0.000 0.947 648 D HN 0.136 nan 8.370 nan 0.000 0.452 649 L N 0.585 121.835 121.223 0.045 0.000 2.046 649 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 649 L C 2.062 178.966 176.870 0.056 0.000 1.077 649 L CA 1.666 56.535 54.840 0.048 0.000 0.747 649 L CB -0.827 41.256 42.059 0.039 0.000 0.896 649 L HN -0.038 nan 8.230 nan 0.000 0.432 650 A N -0.445 122.407 122.820 0.054 0.000 1.930 650 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 650 A C 2.213 179.825 177.584 0.048 0.000 1.175 650 A CA 1.554 53.623 52.037 0.054 0.000 0.627 650 A CB -0.536 18.498 19.000 0.057 0.000 0.815 650 A HN 0.583 nan 8.150 nan 0.000 0.443 651 E N -0.337 119.894 120.200 0.051 0.000 2.077 651 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 651 E C 2.022 178.634 176.600 0.020 0.000 0.989 651 E CA 1.364 57.788 56.400 0.040 0.000 0.800 651 E CB -0.146 29.586 29.700 0.053 0.000 0.746 651 E HN 0.751 nan 8.360 nan 0.000 0.452 652 E N 0.228 120.450 120.200 0.037 0.000 2.110 652 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 652 E C 2.264 178.883 176.600 0.032 0.000 0.988 652 E CA 0.782 57.207 56.400 0.041 0.000 0.804 652 E CB -0.011 29.733 29.700 0.074 0.000 0.745 652 E HN 0.317 nan 8.360 nan 0.000 0.458 653 L N 0.353 121.610 121.223 0.057 0.000 2.046 653 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 653 L C 2.744 179.577 176.870 -0.062 0.000 1.077 653 L CA 1.078 55.950 54.840 0.053 0.000 0.747 653 L CB -0.406 41.707 42.059 0.091 0.000 0.896 653 L HN 0.117 nan 8.230 nan 0.000 0.432 654 R N -0.040 120.429 120.500 -0.053 0.000 2.120 654 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 654 R C 2.175 178.366 176.300 -0.181 0.000 1.123 654 R CA 0.847 56.886 56.100 -0.102 0.000 0.975 654 R CB -0.303 29.956 30.300 -0.068 0.000 0.866 654 R HN 0.384 nan 8.270 nan 0.000 0.446 655 R N 0.396 120.803 120.500 -0.155 0.000 2.328 655 R HA 0.006 4.346 4.340 -0.000 0.000 0.207 655 R C 0.559 176.723 176.300 -0.228 0.000 1.056 655 R CA 0.602 56.601 56.100 -0.167 0.000 1.016 655 R CB 0.064 30.316 30.300 -0.081 0.000 0.872 655 R HN 0.235 nan 8.270 nan 0.000 0.471 656 N N 0.275 118.781 118.700 -0.323 0.000 2.351 656 N HA 0.130 4.870 4.740 -0.000 0.000 0.254 656 N C -0.151 175.133 175.510 -0.376 0.000 1.241 656 N CA 0.009 52.757 53.050 -0.503 0.000 0.883 656 N CB 0.997 38.753 38.487 -1.218 0.000 1.202 656 N HN 0.052 nan 8.380 nan 0.000 0.512 657 L N -0.449 120.632 121.223 -0.237 0.000 4.232 657 L HA -0.216 4.124 4.340 -0.000 0.000 0.415 657 L C -0.360 176.448 176.870 -0.103 0.000 1.168 657 L CA 0.334 55.082 54.840 -0.152 0.000 0.966 657 L CB -1.883 40.104 42.059 -0.120 0.000 2.052 657 L HN -0.059 nan 8.230 nan 0.000 0.887 658 V N 0.233 120.088 119.914 -0.099 0.000 2.644 658 V HA 0.197 4.317 4.120 -0.000 0.000 0.295 658 V C 0.770 176.855 176.094 -0.015 0.000 1.053 658 V CA -0.177 62.111 62.300 -0.019 0.000 0.987 658 V CB 1.674 33.531 31.823 0.056 0.000 1.006 658 V HN 0.166 nan 8.190 nan 0.000 0.472 659 Q N 5.692 125.490 119.800 -0.003 0.000 2.465 659 Q HA 0.314 4.654 4.340 -0.000 0.000 0.237 659 Q C -2.478 173.523 176.000 0.002 0.000 1.051 659 Q CA -1.680 54.123 55.803 0.000 0.000 0.874 659 Q CB 1.536 30.274 28.738 0.000 0.000 1.207 659 Q HN 0.513 nan 8.270 nan 0.000 0.508 660 P HA 0.246 nan 4.420 nan 0.000 0.278 660 P C -0.554 176.758 177.300 0.020 0.000 1.238 660 P CA -0.205 62.907 63.100 0.020 0.000 0.794 660 P CB 1.306 33.029 31.700 0.039 0.000 0.955 661 I N 2.414 122.986 120.570 0.003 0.000 2.521 661 I HA 0.167 4.337 4.170 -0.000 0.000 0.277 661 I C -0.104 176.046 176.117 0.055 0.000 1.054 661 I CA -1.037 60.273 61.300 0.015 0.000 1.117 661 I CB 1.917 39.836 38.000 -0.135 0.000 1.217 661 I HN -0.030 nan 8.210 nan 0.000 0.469 662 V N 6.919 126.886 119.914 0.089 0.000 2.470 662 V HA 0.132 4.252 4.120 -0.000 0.000 0.276 662 V C 0.361 176.539 176.094 0.140 0.000 1.040 662 V CA -0.289 62.072 62.300 0.101 0.000 1.008 662 V CB 1.440 33.312 31.823 0.082 0.000 0.990 662 V HN 0.348 nan 8.190 nan 0.000 0.477 663 V N 6.111 126.131 119.914 0.176 0.000 2.364 663 V HA 0.818 4.938 4.120 -0.000 0.000 0.272 663 V C 0.794 176.999 176.094 0.185 0.000 1.036 663 V CA 0.748 63.191 62.300 0.239 0.000 0.880 663 V CB 0.262 32.323 31.823 0.397 0.000 0.991 663 V HN 1.293 nan 8.190 nan 0.000 0.460 664 G N 4.681 113.573 108.800 0.154 0.000 2.660 664 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.247 664 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.247 664 G C 0.247 175.191 174.900 0.073 0.000 1.328 664 G CA 0.049 45.216 45.100 0.112 0.000 0.884 664 G HN 1.374 nan 8.290 nan 0.000 0.531 665 T N -1.952 112.635 114.554 0.054 0.000 3.145 665 T HA 0.606 4.956 4.350 -0.000 0.000 0.281 665 T C 1.296 176.014 174.700 0.030 0.000 1.003 665 T CA 1.191 63.314 62.100 0.038 0.000 0.901 665 T CB 0.430 69.315 68.868 0.029 0.000 1.112 665 T HN 2.047 nan 8.240 nan 0.000 0.535 666 G N 1.475 110.293 108.800 0.029 0.000 2.664 666 G HA2 0.352 4.311 3.960 -0.000 0.000 0.242 666 G HA3 0.352 4.311 3.960 -0.000 0.000 0.242 666 G C 0.968 175.877 174.900 0.016 0.000 1.225 666 G CA 0.307 45.417 45.100 0.017 0.000 0.849 666 G HN 0.426 nan 8.290 nan 0.000 0.581 667 T N -2.577 111.982 114.554 0.009 0.000 3.086 667 T HA 0.297 4.646 4.350 -0.000 0.000 0.250 667 T C 0.657 175.359 174.700 0.005 0.000 1.074 667 T CA 0.205 62.311 62.100 0.010 0.000 0.988 667 T CB 0.067 68.940 68.868 0.008 0.000 0.988 667 T HN 0.405 nan 8.240 nan 0.000 0.530 668 K N 0.778 121.176 120.400 -0.003 0.000 2.375 668 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 668 K C -1.006 175.582 176.600 -0.021 0.000 0.942 668 K CA -0.928 55.353 56.287 -0.011 0.000 0.806 668 K CB 2.495 34.984 32.500 -0.018 0.000 1.227 668 K HN 0.121 nan 8.250 nan 0.000 0.430 669 I N 2.907 123.461 120.570 -0.027 0.000 2.396 669 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 669 I C 1.325 177.395 176.117 -0.077 0.000 1.056 669 I CA 0.266 61.539 61.300 -0.044 0.000 1.365 669 I CB 1.027 39.007 38.000 -0.034 0.000 1.407 669 I HN 0.848 nan 8.210 nan 0.000 0.509 670 K N 4.534 124.865 120.400 -0.115 0.000 2.352 670 K HA 0.176 4.496 4.320 -0.000 0.000 0.194 670 K C 0.477 176.928 176.600 -0.248 0.000 1.038 670 K CA 0.649 56.842 56.287 -0.157 0.000 1.023 670 K CB 0.107 32.513 32.500 -0.157 0.000 0.840 670 K HN 0.754 nan 8.250 nan 0.000 0.519 671 N N -1.591 116.928 118.700 -0.300 0.000 3.951 671 N HA 0.269 5.009 4.740 -0.000 0.000 0.222 671 N C -1.995 173.303 175.510 -0.353 0.000 1.352 671 N CA 0.399 53.201 53.050 -0.415 0.000 0.852 671 N CB 1.222 39.238 38.487 -0.785 0.000 1.444 671 N HN 0.361 nan 8.380 nan 0.000 0.473 672 S N -1.069 114.538 115.700 -0.155 0.000 2.565 672 S HA 0.414 4.884 4.470 -0.000 0.000 0.269 672 S C 0.118 174.966 174.600 0.413 0.000 1.153 672 S CA 0.042 58.338 58.200 0.161 0.000 0.835 672 S CB 0.851 64.100 63.200 0.081 0.000 1.122 672 S HN 0.950 nan 8.310 nan 0.000 0.462 673 S N 0.155 116.115 115.700 0.432 0.000 2.660 673 S HA 0.487 4.957 4.470 -0.000 0.000 0.223 673 S C 0.555 175.221 174.600 0.109 0.000 0.963 673 S CA 0.078 58.416 58.200 0.230 0.000 0.932 673 S CB -0.753 62.452 63.200 0.008 0.000 0.775 673 S HN 1.612 nan 8.310 nan 0.000 0.531 674 A N 1.571 124.452 122.820 0.101 0.000 2.427 674 A HA 0.591 4.911 4.320 -0.000 0.000 0.298 674 A C -0.477 177.129 177.584 0.037 0.000 1.036 674 A CA -1.024 51.041 52.037 0.047 0.000 0.701 674 A CB 1.075 20.090 19.000 0.024 0.000 1.250 674 A HN 0.575 nan 8.150 nan 0.000 0.412 675 E N 2.048 122.261 120.200 0.021 0.000 2.331 675 E HA 0.342 4.692 4.350 -0.000 0.000 0.272 675 E C 0.033 176.624 176.600 -0.016 0.000 1.036 675 E CA -0.607 55.797 56.400 0.007 0.000 0.864 675 E CB 1.050 30.754 29.700 0.007 0.000 1.035 675 E HN 0.694 nan 8.360 nan 0.000 0.408 676 E N 1.796 121.982 120.200 -0.023 0.000 2.765 676 E HA -0.046 4.303 4.350 -0.000 0.000 0.256 676 E C 0.721 177.293 176.600 -0.047 0.000 0.935 676 E CA 1.253 57.629 56.400 -0.041 0.000 0.954 676 E CB -0.275 29.404 29.700 -0.035 0.000 0.908 676 E HN 0.844 nan 8.360 nan 0.000 0.500 677 G N 1.885 110.642 108.800 -0.071 0.000 2.313 677 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.215 677 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.215 677 G C 0.472 175.331 174.900 -0.069 0.000 1.023 677 G CA 0.188 45.246 45.100 -0.069 0.000 0.626 677 G HN 0.897 nan 8.290 nan 0.000 0.503 678 K N 0.453 120.819 120.400 -0.055 0.000 2.469 678 K HA 0.535 4.855 4.320 -0.000 0.000 0.274 678 K C 0.205 176.770 176.600 -0.059 0.000 0.983 678 K CA 0.576 56.837 56.287 -0.043 0.000 0.974 678 K CB -0.022 32.463 32.500 -0.026 0.000 0.913 678 K HN 0.944 nan 8.250 nan 0.000 0.493 679 N N 0.621 119.298 118.700 -0.038 0.000 2.488 679 N HA 0.339 5.079 4.740 -0.000 0.000 0.274 679 N C -1.275 174.234 175.510 -0.001 0.000 1.111 679 N CA -0.436 52.597 53.050 -0.027 0.000 0.974 679 N CB 0.495 38.977 38.487 -0.008 0.000 1.089 679 N HN 0.420 nan 8.380 nan 0.000 0.465 680 L N 3.027 124.270 121.223 0.033 0.000 2.294 680 L HA 0.547 4.887 4.340 -0.000 0.000 0.283 680 L C 0.324 177.258 176.870 0.107 0.000 1.015 680 L CA -0.671 54.218 54.840 0.083 0.000 0.831 680 L CB 0.664 42.815 42.059 0.154 0.000 1.217 680 L HN 0.659 nan 8.230 nan 0.000 0.420 681 A N 5.630 128.483 122.820 0.056 0.000 2.346 681 A HA 0.644 4.964 4.320 -0.000 0.000 0.252 681 A C -2.250 175.355 177.584 0.034 0.000 1.089 681 A CA -1.054 51.008 52.037 0.041 0.000 0.797 681 A CB -0.450 18.561 19.000 0.018 0.000 1.047 681 A HN 0.547 nan 8.150 nan 0.000 0.494 682 P HA 0.054 nan 4.420 nan 0.000 0.265 682 P C -0.105 177.191 177.300 -0.006 0.000 1.193 682 P CA 0.526 63.623 63.100 -0.004 0.000 0.765 682 P CB 0.205 31.899 31.700 -0.010 0.000 0.823 683 N N -0.894 117.797 118.700 -0.015 0.000 2.863 683 N HA -0.229 4.511 4.740 -0.000 0.000 0.245 683 N C 0.225 175.730 175.510 -0.008 0.000 1.001 683 N CA 0.857 53.900 53.050 -0.013 0.000 0.901 683 N CB -1.436 37.045 38.487 -0.011 0.000 1.124 683 N HN 0.632 nan 8.380 nan 0.000 0.582 684 Q N 1.141 120.940 119.800 -0.001 0.000 2.315 684 Q HA 0.027 4.367 4.340 -0.000 0.000 0.289 684 Q C -0.177 175.813 176.000 -0.016 0.000 1.044 684 Q CA 0.504 56.304 55.803 -0.006 0.000 0.920 684 Q CB 0.494 29.237 28.738 0.009 0.000 1.214 684 Q HN 0.192 nan 8.270 nan 0.000 0.392 685 Q N 2.304 122.079 119.800 -0.042 0.000 2.294 685 Q HA 0.315 4.654 4.340 -0.000 0.000 0.257 685 Q C -1.151 174.800 176.000 -0.082 0.000 0.955 685 Q CA -0.367 55.392 55.803 -0.073 0.000 0.936 685 Q CB 1.449 30.113 28.738 -0.124 0.000 1.188 685 Q HN 0.370 nan 8.270 nan 0.000 0.420 686 V N 4.818 124.695 119.914 -0.061 0.000 2.407 686 V HA 0.289 4.409 4.120 -0.000 0.000 0.291 686 V C -0.161 175.909 176.094 -0.039 0.000 1.018 686 V CA -0.644 61.637 62.300 -0.033 0.000 0.842 686 V CB 1.439 33.273 31.823 0.019 0.000 0.996 686 V HN 0.698 nan 8.190 nan 0.000 0.426 687 L N 5.943 127.142 121.223 -0.040 0.000 2.331 687 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 687 L C -0.421 176.571 176.870 0.204 0.000 1.106 687 L CA 0.015 54.868 54.840 0.022 0.000 0.824 687 L CB 0.963 43.001 42.059 -0.035 0.000 1.142 687 L HN 0.528 nan 8.230 nan 0.000 0.443 688 I N 5.377 126.045 120.570 0.163 0.000 2.437 688 I HA 0.187 4.357 4.170 -0.000 0.000 0.279 688 I C -0.365 175.822 176.117 0.115 0.000 1.028 688 I CA -0.400 60.971 61.300 0.119 0.000 1.142 688 I CB 1.470 39.512 38.000 0.070 0.000 1.266 688 I HN 0.392 nan 8.210 nan 0.000 0.461 689 L N 7.043 128.281 121.223 0.026 0.000 2.369 689 L HA 0.312 4.652 4.340 -0.000 0.000 0.279 689 L C 0.710 177.543 176.870 -0.063 0.000 1.108 689 L CA 0.554 55.372 54.840 -0.037 0.000 0.852 689 L CB 0.983 42.783 42.059 -0.431 0.000 1.169 689 L HN 0.717 nan 8.230 nan 0.000 0.452 690 S N 3.408 119.115 115.700 0.012 0.000 2.652 690 S HA 0.195 4.664 4.470 -0.000 0.000 0.267 690 S C 0.460 175.046 174.600 -0.022 0.000 1.201 690 S CA -0.437 57.761 58.200 -0.003 0.000 0.996 690 S CB 1.022 64.239 63.200 0.029 0.000 1.054 690 S HN 0.687 nan 8.310 nan 0.000 0.561 691 D N -0.915 119.474 120.400 -0.019 0.000 2.706 691 D HA 0.204 4.844 4.640 -0.000 0.000 0.236 691 D C -0.156 176.141 176.300 -0.005 0.000 1.231 691 D CA -0.257 53.729 54.000 -0.024 0.000 0.828 691 D CB -0.556 40.228 40.800 -0.027 0.000 1.015 691 D HN 0.617 nan 8.370 nan 0.000 0.484 692 K N 0.259 120.667 120.400 0.013 0.000 2.599 692 K HA 0.394 4.714 4.320 -0.000 0.000 0.300 692 K C -1.872 174.757 176.600 0.048 0.000 1.437 692 K CA -0.249 56.052 56.287 0.024 0.000 0.989 692 K CB 0.433 32.944 32.500 0.018 0.000 1.423 692 K HN 0.012 nan 8.250 nan 0.000 0.507 693 A N 3.809 126.668 122.820 0.065 0.000 2.801 693 A HA 0.293 4.613 4.320 -0.000 0.000 0.344 693 A C 0.648 178.290 177.584 0.096 0.000 1.322 693 A CA -0.548 51.553 52.037 0.108 0.000 0.913 693 A CB 0.378 19.485 19.000 0.178 0.000 1.140 693 A HN 0.664 nan 8.150 nan 0.000 0.487 694 E N 1.211 121.452 120.200 0.069 0.000 2.072 694 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 694 E C 0.176 176.811 176.600 0.059 0.000 0.982 694 E CA 1.133 57.564 56.400 0.052 0.000 0.803 694 E CB 0.216 29.935 29.700 0.031 0.000 0.755 694 E HN 0.862 nan 8.360 nan 0.000 0.453 695 E N 0.083 120.320 120.200 0.062 0.000 2.284 695 E HA 0.356 4.706 4.350 -0.000 0.000 0.255 695 E C -0.601 176.048 176.600 0.081 0.000 1.052 695 E CA -0.663 55.766 56.400 0.049 0.000 0.904 695 E CB 1.722 31.428 29.700 0.009 0.000 1.217 695 E HN -0.221 nan 8.360 nan 0.000 0.438 696 V N 2.337 122.274 119.914 0.037 0.000 2.546 696 V HA 0.221 4.341 4.120 -0.000 0.000 0.284 696 V C -2.208 173.824 176.094 -0.104 0.000 1.050 696 V CA -1.632 60.679 62.300 0.019 0.000 0.981 696 V CB 0.877 32.693 31.823 -0.012 0.000 0.990 696 V HN 0.525 nan 8.190 nan 0.000 0.474 697 P HA 0.087 nan 4.420 nan 0.000 0.276 697 P C -0.302 176.711 177.300 -0.478 0.000 1.243 697 P CA -0.337 62.530 63.100 -0.389 0.000 0.768 697 P CB 0.306 31.606 31.700 -0.667 0.000 0.856 698 D N 3.983 124.178 120.400 -0.342 0.000 2.569 698 D HA -0.064 4.575 4.640 -0.000 0.000 0.254 698 D C 0.831 176.795 176.300 -0.561 0.000 1.274 698 D CA 0.504 54.297 54.000 -0.344 0.000 1.306 698 D CB -0.012 40.658 40.800 -0.216 0.000 1.139 698 D HN 0.325 nan 8.370 nan 0.000 0.511 699 M N 2.140 121.232 119.600 -0.848 0.000 2.700 699 M HA -0.129 4.351 4.480 -0.000 0.000 0.249 699 M C 0.465 176.320 176.300 -0.742 0.000 1.082 699 M CA 0.086 54.523 55.300 -1.438 0.000 1.077 699 M CB -0.183 31.670 32.600 -1.244 0.000 1.477 699 M HN 0.280 nan 8.290 nan 0.000 0.529 700 Y N 1.440 121.486 120.300 -0.424 0.000 2.805 700 Y HA 0.112 4.662 4.550 -0.000 0.000 0.331 700 Y C 1.183 177.033 175.900 -0.082 0.000 1.241 700 Y CA 1.526 59.509 58.100 -0.194 0.000 1.546 700 Y CB 0.135 38.511 38.460 -0.139 0.000 1.248 700 Y HN 0.442 nan 8.280 nan 0.000 0.559 701 G N 3.255 111.837 108.800 -0.363 0.000 2.279 701 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.223 701 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.223 701 G C -0.099 174.883 174.900 0.137 0.000 1.015 701 G CA -0.204 44.868 45.100 -0.046 0.000 0.621 701 G HN 0.607 nan 8.290 nan 0.000 0.506 702 W N 2.643 123.879 121.300 -0.108 0.000 2.187 702 W HA 0.481 5.141 4.660 -0.000 0.000 0.348 702 W C 1.350 177.815 176.519 -0.089 0.000 1.282 702 W CA 0.610 57.908 57.345 -0.078 0.000 1.271 702 W CB -0.113 29.308 29.460 -0.065 0.000 1.170 702 W HN 0.522 nan 8.180 nan 0.000 0.583 703 T N -0.812 113.805 114.554 0.105 0.000 2.928 703 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 703 T C 1.172 175.876 174.700 0.007 0.000 1.008 703 T CA -0.801 61.302 62.100 0.005 0.000 1.057 703 T CB 1.758 70.599 68.868 -0.045 0.000 1.018 703 T HN 0.522 nan 8.240 nan 0.000 0.493 704 K N 0.996 121.334 120.400 -0.103 0.000 2.071 704 K HA -0.255 4.065 4.320 -0.000 0.000 0.217 704 K C 2.298 178.873 176.600 -0.042 0.000 1.054 704 K CA 2.450 58.600 56.287 -0.228 0.000 0.937 704 K CB -0.436 31.770 32.500 -0.491 0.000 0.719 704 K HN 0.695 nan 8.250 nan 0.000 0.454 705 E N -0.541 119.616 120.200 -0.072 0.000 2.058 705 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 705 E C 2.138 178.702 176.600 -0.059 0.000 0.997 705 E CA 1.780 58.148 56.400 -0.053 0.000 0.801 705 E CB -1.052 28.603 29.700 -0.075 0.000 0.746 705 E HN 0.577 nan 8.360 nan 0.000 0.450 706 T N 0.466 114.969 114.554 -0.085 0.000 2.788 706 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 706 T C 2.130 176.767 174.700 -0.105 0.000 1.044 706 T CA 1.298 63.277 62.100 -0.201 0.000 1.139 706 T CB -0.503 68.163 68.868 -0.338 0.000 0.867 706 T HN 0.447 nan 8.240 nan 0.000 0.454 707 A N 1.895 124.819 122.820 0.174 0.000 1.877 707 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 707 A C 2.161 179.908 177.584 0.270 0.000 1.186 707 A CA 1.682 53.969 52.037 0.417 0.000 0.620 707 A CB -0.616 18.691 19.000 0.512 0.000 0.822 707 A HN 0.602 nan 8.150 nan 0.000 0.443 708 E N -0.645 119.674 120.200 0.198 0.000 2.209 708 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 708 E C 1.938 178.496 176.600 -0.069 0.000 0.993 708 E CA 1.541 57.999 56.400 0.098 0.000 0.819 708 E CB -0.378 29.389 29.700 0.112 0.000 0.745 708 E HN 0.671 nan 8.360 nan 0.000 0.477 709 T N 0.968 115.405 114.554 -0.195 0.000 2.770 709 T HA -0.120 4.230 4.350 -0.000 0.000 0.258 709 T C 1.519 175.800 174.700 -0.699 0.000 1.039 709 T CA 0.782 62.559 62.100 -0.537 0.000 1.143 709 T CB -0.435 68.007 68.868 -0.711 0.000 0.866 709 T HN 0.175 nan 8.240 nan 0.000 0.428 710 F N 2.731 122.381 119.950 -0.501 0.000 2.154 710 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 710 F C 2.374 178.164 175.800 -0.015 0.000 1.087 710 F CA 0.901 58.800 58.000 -0.170 0.000 1.274 710 F CB -0.771 38.339 39.000 0.183 0.000 1.009 710 F HN 0.149 nan 8.300 nan 0.000 0.485 711 A N 0.646 123.422 122.820 -0.074 0.000 1.841 711 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 711 A C 2.418 179.910 177.584 -0.153 0.000 1.199 711 A CA 3.160 55.128 52.037 -0.114 0.000 0.621 711 A CB -1.636 17.357 19.000 -0.012 0.000 0.835 711 A HN 0.447 nan 8.150 nan 0.000 0.445 712 K N -1.515 118.803 120.400 -0.137 0.000 2.074 712 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 712 K C 1.803 178.431 176.600 0.047 0.000 1.048 712 K CA 1.890 58.139 56.287 -0.063 0.000 0.926 712 K CB -1.334 31.121 32.500 -0.075 0.000 0.713 712 K HN 0.739 nan 8.250 nan 0.000 0.444 713 W N 0.123 121.345 121.300 -0.130 0.000 2.355 713 W HA 0.077 4.737 4.660 -0.000 0.000 0.309 713 W C 2.000 178.405 176.519 -0.191 0.000 1.206 713 W CA 0.689 57.950 57.345 -0.141 0.000 1.284 713 W CB -0.879 28.506 29.460 -0.125 0.000 1.145 713 W HN 0.190 nan 8.180 nan 0.000 0.502 714 L N -0.495 120.674 121.223 -0.091 0.000 2.375 714 L HA 0.032 4.372 4.340 -0.000 0.000 0.215 714 L C 0.383 177.189 176.870 -0.107 0.000 1.108 714 L CA 0.587 55.329 54.840 -0.164 0.000 0.830 714 L CB -0.349 41.475 42.059 -0.391 0.000 0.959 714 L HN -0.008 nan 8.230 nan 0.000 0.457 715 N N 1.533 120.171 118.700 -0.103 0.000 2.844 715 N HA -0.116 4.624 4.740 -0.000 0.000 0.269 715 N C -1.316 174.156 175.510 -0.064 0.000 1.174 715 N CA 0.501 53.514 53.050 -0.061 0.000 0.653 715 N CB -0.547 37.920 38.487 -0.033 0.000 0.991 715 N HN 0.220 nan 8.380 nan 0.000 0.559 716 I N -2.536 117.993 120.570 -0.067 0.000 2.908 716 I HA 0.636 4.805 4.170 -0.000 0.000 0.300 716 I C 0.165 176.253 176.117 -0.048 0.000 1.385 716 I CA -0.679 60.592 61.300 -0.047 0.000 1.004 716 I CB 1.048 39.030 38.000 -0.031 0.000 1.309 716 I HN 0.217 nan 8.210 nan 0.000 0.449 717 E N 4.893 125.064 120.200 -0.049 0.000 2.249 717 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 717 E C -1.268 175.265 176.600 -0.111 0.000 1.016 717 E CA -0.606 55.753 56.400 -0.069 0.000 0.830 717 E CB 1.602 31.268 29.700 -0.058 0.000 1.081 717 E HN 0.646 nan 8.360 nan 0.000 0.395 718 L N 1.612 122.729 121.223 -0.176 0.000 2.313 718 L HA 0.669 5.008 4.340 -0.000 0.000 0.283 718 L C 0.516 177.141 176.870 -0.409 0.000 1.013 718 L CA -0.813 53.815 54.840 -0.355 0.000 0.816 718 L CB 1.782 43.512 42.059 -0.549 0.000 1.236 718 L HN 0.865 nan 8.230 nan 0.000 0.419 719 E N 4.034 124.003 120.200 -0.384 0.000 2.141 719 E HA 0.433 4.783 4.350 -0.000 0.000 0.259 719 E C -1.286 175.163 176.600 -0.251 0.000 0.883 719 E CA -0.618 55.636 56.400 -0.243 0.000 0.744 719 E CB 0.994 30.624 29.700 -0.116 0.000 1.150 719 E HN 0.337 nan 8.360 nan 0.000 0.420 720 F N 1.634 121.583 119.950 -0.001 0.000 2.421 720 F HA 0.528 5.055 4.527 -0.000 0.000 0.358 720 F C 1.127 176.923 175.800 -0.007 0.000 1.115 720 F CA -0.266 57.731 58.000 -0.005 0.000 1.160 720 F CB 1.214 40.211 39.000 -0.005 0.000 1.123 720 F HN 0.647 nan 8.300 nan 0.000 0.508 721 E N 1.754 122.065 120.200 0.184 0.000 2.222 721 E HA 0.752 5.102 4.350 -0.000 0.000 0.267 721 E C 0.411 177.064 176.600 0.090 0.000 0.963 721 E CA -0.693 55.767 56.400 0.099 0.000 0.837 721 E CB 1.136 30.870 29.700 0.056 0.000 1.183 721 E HN 1.263 nan 8.360 nan 0.000 0.403 722 G N -0.344 108.486 108.800 0.051 0.000 2.814 722 G HA2 0.191 4.151 3.960 -0.000 0.000 0.677 722 G HA3 0.191 4.151 3.960 -0.000 0.000 0.677 722 G C 0.238 175.145 174.900 0.012 0.000 1.429 722 G CA 0.086 45.203 45.100 0.028 0.000 0.868 722 G HN 1.640 nan 8.290 nan 0.000 0.553 723 S N 0.368 116.063 115.700 -0.008 0.000 2.789 723 S HA 0.866 5.335 4.470 -0.000 0.000 0.286 723 S C 0.293 174.869 174.600 -0.039 0.000 1.153 723 S CA 0.972 59.156 58.200 -0.028 0.000 1.084 723 S CB 0.558 63.746 63.200 -0.019 0.000 1.036 723 S HN 2.492 nan 8.310 nan 0.000 0.484 724 G N 1.876 110.637 108.800 -0.065 0.000 2.451 724 G HA2 0.379 4.339 3.960 -0.000 0.000 0.292 724 G HA3 0.379 4.339 3.960 -0.000 0.000 0.292 724 G C 0.498 175.340 174.900 -0.097 0.000 1.427 724 G CA -0.020 45.040 45.100 -0.067 0.000 0.792 724 G HN 0.886 nan 8.290 nan 0.000 0.498 725 S N -1.214 114.435 115.700 -0.084 0.000 2.345 725 S HA 0.137 4.607 4.470 -0.000 0.000 0.219 725 S C 1.368 175.905 174.600 -0.105 0.000 1.031 725 S CA 1.934 60.078 58.200 -0.093 0.000 0.984 725 S CB -0.546 62.614 63.200 -0.066 0.000 0.874 725 S HN 1.674 nan 8.310 nan 0.000 0.451 726 T N -0.325 114.171 114.554 -0.098 0.000 2.940 726 T HA 0.693 5.042 4.350 -0.000 0.000 0.288 726 T C -0.310 174.302 174.700 -0.146 0.000 1.033 726 T CA -0.907 61.129 62.100 -0.106 0.000 1.033 726 T CB 1.506 70.308 68.868 -0.110 0.000 1.079 726 T HN 0.061 nan 8.240 nan 0.000 0.496 727 V N 2.782 122.611 119.914 -0.142 0.000 2.572 727 V HA 0.165 4.285 4.120 -0.000 0.000 0.291 727 V C 0.901 176.724 176.094 -0.453 0.000 1.039 727 V CA 0.170 62.367 62.300 -0.171 0.000 1.055 727 V CB 0.749 32.519 31.823 -0.089 0.000 0.969 727 V HN 0.983 nan 8.190 nan 0.000 0.482 728 Q N 2.775 122.388 119.800 -0.313 0.000 2.140 728 Q HA 0.346 4.686 4.340 -0.000 0.000 0.227 728 Q C 0.237 176.261 176.000 0.040 0.000 0.798 728 Q CA 0.068 55.673 55.803 -0.331 0.000 0.987 728 Q CB 1.163 29.836 28.738 -0.108 0.000 1.161 728 Q HN 0.776 nan 8.270 nan 0.000 0.480 729 K N 1.476 121.876 120.400 0.000 0.000 2.610 729 K HA 0.409 4.729 4.320 -0.000 0.000 0.267 729 K C -1.796 174.798 176.600 -0.009 0.000 0.943 729 K CA -0.833 55.477 56.287 0.038 0.000 0.862 729 K CB 1.073 33.597 32.500 0.041 0.000 1.376 729 K HN 0.200 nan 8.250 nan 0.000 0.412 730 Q N 0.813 120.598 119.800 -0.025 0.000 2.331 730 Q HA 0.413 4.753 4.340 -0.000 0.000 0.272 730 Q C -0.400 175.573 176.000 -0.045 0.000 1.062 730 Q CA -0.465 55.306 55.803 -0.054 0.000 0.806 730 Q CB 2.191 30.866 28.738 -0.104 0.000 1.312 730 Q HN 0.749 nan 8.270 nan 0.000 0.431 731 D N 1.556 121.931 120.400 -0.041 0.000 2.218 731 D HA -0.078 4.562 4.640 -0.000 0.000 0.204 731 D C 0.334 176.611 176.300 -0.038 0.000 0.976 731 D CA 0.593 54.573 54.000 -0.033 0.000 0.853 731 D CB 0.116 40.898 40.800 -0.030 0.000 0.939 731 D HN 0.266 nan 8.370 nan 0.000 0.481 732 V N 2.066 121.951 119.914 -0.049 0.000 2.384 732 V HA 0.263 4.383 4.120 -0.000 0.000 0.287 732 V C 0.428 176.479 176.094 -0.072 0.000 1.020 732 V CA -1.112 61.158 62.300 -0.049 0.000 0.850 732 V CB 1.358 33.157 31.823 -0.039 0.000 0.987 732 V HN 0.191 nan 8.190 nan 0.000 0.436 733 R N 4.339 124.794 120.500 -0.075 0.000 2.582 733 R HA 0.729 5.068 4.340 -0.000 0.000 0.271 733 R C 0.282 176.511 176.300 -0.118 0.000 1.078 733 R CA -0.117 55.921 56.100 -0.103 0.000 1.127 733 R CB 0.679 30.915 30.300 -0.107 0.000 1.038 733 R HN 0.710 nan 8.270 nan 0.000 0.500 734 A N 1.771 124.501 122.820 -0.151 0.000 2.507 734 A HA 0.064 4.384 4.320 -0.000 0.000 0.235 734 A C 0.050 177.554 177.584 -0.133 0.000 1.070 734 A CA 0.458 52.402 52.037 -0.156 0.000 0.768 734 A CB -0.598 18.289 19.000 -0.188 0.000 1.011 734 A HN 1.100 nan 8.150 nan 0.000 0.502 735 N N -1.834 116.804 118.700 -0.104 0.000 2.948 735 N HA -0.139 4.601 4.740 -0.000 0.000 0.239 735 N C -0.326 175.147 175.510 -0.062 0.000 0.954 735 N CA 1.093 54.093 53.050 -0.083 0.000 0.941 735 N CB -1.473 36.946 38.487 -0.113 0.000 1.101 735 N HN 0.625 nan 8.380 nan 0.000 0.579 736 T N 1.111 115.632 114.554 -0.056 0.000 2.727 736 T HA 0.463 4.812 4.350 -0.000 0.000 0.295 736 T C 0.621 175.313 174.700 -0.012 0.000 0.915 736 T CA 0.172 62.250 62.100 -0.037 0.000 1.066 736 T CB 0.625 69.470 68.868 -0.039 0.000 0.891 736 T HN 0.364 nan 8.240 nan 0.000 0.516 737 A N 4.684 127.499 122.820 -0.008 0.000 2.558 737 A HA 0.004 4.324 4.320 -0.000 0.000 0.262 737 A C 1.608 179.203 177.584 0.018 0.000 1.049 737 A CA 0.092 52.133 52.037 0.007 0.000 0.804 737 A CB -0.633 18.369 19.000 0.003 0.000 0.957 737 A HN 1.056 nan 8.150 nan 0.000 0.520 738 I N 3.009 123.602 120.570 0.038 0.000 2.493 738 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 738 I C 2.459 178.597 176.117 0.035 0.000 1.160 738 I CA 1.626 62.958 61.300 0.053 0.000 1.445 738 I CB -0.094 37.968 38.000 0.103 0.000 1.086 738 I HN 0.812 nan 8.210 nan 0.000 0.433 739 K N 1.635 122.051 120.400 0.027 0.000 2.091 739 K HA -0.361 3.959 4.320 -0.000 0.000 0.225 739 K C 1.308 177.915 176.600 0.011 0.000 1.028 739 K CA 2.980 59.277 56.287 0.016 0.000 0.965 739 K CB -1.449 31.058 32.500 0.011 0.000 0.786 739 K HN 0.878 nan 8.250 nan 0.000 0.459 740 D N -0.775 119.630 120.400 0.009 0.000 2.323 740 D HA 0.169 4.809 4.640 -0.000 0.000 0.218 740 D C 1.117 177.419 176.300 0.003 0.000 0.973 740 D CA 0.427 54.429 54.000 0.004 0.000 0.890 740 D CB -0.520 40.281 40.800 0.002 0.000 1.011 740 D HN 0.576 nan 8.370 nan 0.000 0.499 741 I N 0.739 121.313 120.570 0.007 0.000 3.075 741 I HA 0.016 4.186 4.170 -0.000 0.000 0.320 741 I C 1.598 177.717 176.117 0.003 0.000 1.211 741 I CA 0.975 62.279 61.300 0.006 0.000 1.463 741 I CB 0.424 38.434 38.000 0.015 0.000 1.308 741 I HN 0.298 nan 8.210 nan 0.000 0.553 742 K N 4.246 124.643 120.400 -0.005 0.000 2.464 742 K HA 0.458 4.778 4.320 -0.000 0.000 0.206 742 K C 0.612 177.201 176.600 -0.017 0.000 1.186 742 K CA 0.924 57.204 56.287 -0.011 0.000 0.990 742 K CB 0.414 32.907 32.500 -0.012 0.000 1.003 742 K HN 0.729 nan 8.250 nan 0.000 0.562 743 K N 0.034 120.423 120.400 -0.018 0.000 2.512 743 K HA 0.889 5.208 4.320 -0.000 0.000 0.263 743 K C -1.379 175.201 176.600 -0.032 0.000 0.966 743 K CA -0.339 55.929 56.287 -0.031 0.000 0.851 743 K CB 1.376 33.854 32.500 -0.037 0.000 1.395 743 K HN 0.296 nan 8.250 nan 0.000 0.440 744 I N 0.488 121.026 120.570 -0.054 0.000 2.775 744 I HA 0.626 4.795 4.170 -0.000 0.000 0.295 744 I C -0.358 175.696 176.117 -0.106 0.000 1.287 744 I CA -1.185 60.078 61.300 -0.061 0.000 1.029 744 I CB 2.473 40.452 38.000 -0.036 0.000 1.282 744 I HN 0.801 nan 8.210 nan 0.000 0.426 745 K N 6.861 127.208 120.400 -0.088 0.000 2.449 745 K HA 0.777 5.097 4.320 -0.000 0.000 0.257 745 K C -1.154 175.405 176.600 -0.068 0.000 0.989 745 K CA -0.387 55.843 56.287 -0.095 0.000 0.916 745 K CB 0.779 33.246 32.500 -0.055 0.000 1.136 745 K HN 0.555 nan 8.250 nan 0.000 0.439 746 L N 0.986 122.161 121.223 -0.081 0.000 2.399 746 L HA 0.632 4.972 4.340 -0.000 0.000 0.265 746 L C 0.340 177.277 176.870 0.111 0.000 1.089 746 L CA -1.047 53.808 54.840 0.025 0.000 0.802 746 L CB 2.184 44.304 42.059 0.102 0.000 1.180 746 L HN 0.603 nan 8.230 nan 0.000 0.454 747 T N 2.569 117.174 114.554 0.085 0.000 2.812 747 T HA 0.505 4.855 4.350 -0.000 0.000 0.282 747 T C -0.250 174.475 174.700 0.043 0.000 0.990 747 T CA -0.530 61.614 62.100 0.072 0.000 0.960 747 T CB 1.129 70.018 68.868 0.034 0.000 0.948 747 T HN 0.262 nan 8.240 nan 0.000 0.438 748 L N 2.889 124.135 121.223 0.038 0.000 2.305 748 L HA 0.743 5.083 4.340 -0.000 0.000 0.281 748 L C 0.828 177.677 176.870 -0.035 0.000 1.085 748 L CA -0.518 54.305 54.840 -0.028 0.000 0.813 748 L CB 0.878 42.894 42.059 -0.072 0.000 1.157 748 L HN 0.766 nan 8.230 nan 0.000 0.436 749 G N 0.877 109.642 108.800 -0.058 0.000 2.619 749 G HA2 0.613 4.573 3.960 -0.000 0.000 0.296 749 G HA3 0.613 4.573 3.960 -0.000 0.000 0.296 749 G C -1.523 173.349 174.900 -0.046 0.000 1.334 749 G CA -0.269 44.806 45.100 -0.041 0.000 0.934 749 G HN 0.629 nan 8.290 nan 0.000 0.476 750 D N 0.000 120.384 120.400 -0.027 0.000 6.856 750 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 750 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 750 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683