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 3jz4_1_B DATA FIRST_RESID 1 DATA SEQUENCE KLNDSNLFRQ QALINGEWLD ANNGEAIDVT NPANGDKLGS VPKMGADETR DATA SEQUENCE AAIDAANRAL PAWRALTAKE RATILRNWFN LMMEHQDDLA RLMTLEQGKP DATA SEQUENCE LAEAKGEISY AASFIEWFAE EGKRIYGDTI PGHQADKRLI VIKQPIGVTA DATA SEQUENCE AITPWNFPAA MITRKAGPAL AAGCTMVLKP ASQTPFSALA LAELAIRAGV DATA SEQUENCE PAGVFNVVTG SAGAVGNELT SNPLVRKLSF TGSTEIGRQL MEQCAKDIKK DATA SEQUENCE VSLELGGNAP FIVFDDADLD KAVEGALASK FRNAGQTCVC ANRLYVQDGV DATA SEQUENCE YDRFAEKLQQ AMSKLHIGDG LDNGVTIGPL IDEKAVAKVE EHIADALEKG DATA SEQUENCE ARVVCGGKAH ERGGNFFQPT ILVDVPANAK VSKEETFGPL APLFRFKDEA DATA SEQUENCE DVIAQANDTE FGLAAYFYAR DLSRVFRVGE ALEYGIVGIN TGIISNEVAP DATA SEQUENCE FGGIKASGLG REGSKYGIED YLEIKYMCIG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.555 176.600 -0.075 0.000 0.988 1 K CA 0.000 56.220 56.287 -0.111 0.000 0.838 1 K CB 0.000 32.394 32.500 -0.177 0.000 1.064 2 L N 2.501 123.680 121.223 -0.073 0.000 2.360 2 L HA 0.395 4.740 4.340 0.008 0.000 0.271 2 L C 0.530 177.396 176.870 -0.006 0.000 1.057 2 L CA -0.655 54.164 54.840 -0.033 0.000 0.803 2 L CB 1.101 43.142 42.059 -0.030 0.000 1.207 2 L HN 0.212 nan 8.230 nan 0.000 0.445 3 N N -0.026 118.686 118.700 0.020 0.000 2.120 3 N HA -0.153 4.592 4.740 0.008 0.000 0.188 3 N C 0.035 175.575 175.510 0.049 0.000 1.024 3 N CA 1.031 54.102 53.050 0.036 0.000 0.852 3 N CB 0.175 38.693 38.487 0.053 0.000 1.003 3 N HN 0.528 nan 8.380 nan 0.000 0.424 4 D N -0.568 119.869 120.400 0.062 0.000 2.461 4 D HA 0.123 4.768 4.640 0.008 0.000 0.240 4 D C 0.371 176.677 176.300 0.009 0.000 1.094 4 D CA -0.277 53.749 54.000 0.043 0.000 0.868 4 D CB 0.969 41.800 40.800 0.053 0.000 1.062 4 D HN 0.115 nan 8.370 nan 0.000 0.530 5 S N 3.307 119.009 115.700 0.003 0.000 2.423 5 S HA -0.144 4.330 4.470 0.008 0.000 0.231 5 S C 1.335 175.934 174.600 -0.001 0.000 1.014 5 S CA 0.431 58.634 58.200 0.006 0.000 0.965 5 S CB -0.031 63.170 63.200 0.002 0.000 0.785 5 S HN 0.397 nan 8.310 nan 0.000 0.495 6 N N 1.575 120.252 118.700 -0.039 0.000 2.573 6 N HA 0.152 4.897 4.740 0.008 0.000 0.187 6 N C 1.280 176.725 175.510 -0.108 0.000 1.107 6 N CA 0.469 53.464 53.050 -0.092 0.000 0.918 6 N CB -0.457 37.977 38.487 -0.088 0.000 0.966 6 N HN 0.488 nan 8.380 nan 0.000 0.448 7 L N -0.830 120.362 121.223 -0.052 0.000 2.240 7 L HA 0.042 4.386 4.340 0.008 0.000 0.211 7 L C 0.502 177.398 176.870 0.044 0.000 1.106 7 L CA 0.135 54.965 54.840 -0.017 0.000 0.793 7 L CB -0.167 41.889 42.059 -0.005 0.000 0.927 7 L HN 0.024 nan 8.230 nan 0.000 0.446 8 F N 2.468 122.330 119.950 -0.146 0.000 2.434 8 F HA 0.281 4.813 4.527 0.008 0.000 0.358 8 F C 0.343 176.009 175.800 -0.225 0.000 1.136 8 F CA -0.645 57.233 58.000 -0.202 0.000 1.157 8 F CB -0.024 38.828 39.000 -0.246 0.000 1.167 8 F HN -0.144 nan 8.300 nan 0.000 0.539 9 R N 5.373 125.558 120.500 -0.525 0.000 2.562 9 R HA 0.271 4.616 4.340 0.008 0.000 0.298 9 R C -0.286 175.763 176.300 -0.419 0.000 0.961 9 R CA -0.533 55.243 56.100 -0.540 0.000 0.881 9 R CB 1.756 31.785 30.300 -0.451 0.000 1.159 9 R HN 0.727 nan 8.270 nan 0.000 0.450 10 Q N 1.391 120.966 119.800 -0.375 0.000 2.135 10 Q HA 0.225 4.569 4.340 0.008 0.000 0.231 10 Q C -0.434 175.549 176.000 -0.029 0.000 0.817 10 Q CA -0.009 55.707 55.803 -0.145 0.000 1.073 10 Q CB 1.368 29.971 28.738 -0.225 0.000 1.176 10 Q HN 0.413 nan 8.270 nan 0.000 0.478 11 Q N -0.178 119.634 119.800 0.020 0.000 2.456 11 Q HA 0.694 5.038 4.340 0.008 0.000 0.283 11 Q C -1.172 175.019 176.000 0.317 0.000 1.084 11 Q CA -0.681 55.213 55.803 0.151 0.000 0.801 11 Q CB 2.303 31.152 28.738 0.185 0.000 1.434 11 Q HN 0.213 nan 8.270 nan 0.000 0.419 12 A N 1.022 123.970 122.820 0.214 0.000 2.287 12 A HA 0.577 4.902 4.320 0.008 0.000 0.273 12 A C -1.025 176.580 177.584 0.035 0.000 1.091 12 A CA -0.325 51.789 52.037 0.129 0.000 0.817 12 A CB 0.422 19.433 19.000 0.020 0.000 1.069 12 A HN 0.504 nan 8.150 nan 0.000 0.492 13 L N 1.662 122.755 121.223 -0.217 0.000 2.295 13 L HA 0.634 4.979 4.340 0.008 0.000 0.281 13 L C -1.085 175.548 176.870 -0.394 0.000 1.018 13 L CA 0.111 54.613 54.840 -0.563 0.000 0.841 13 L CB 0.453 41.984 42.059 -0.880 0.000 1.218 13 L HN 0.518 nan 8.230 nan 0.000 0.424 14 I N 5.063 125.439 120.570 -0.322 0.000 2.439 14 I HA 0.346 4.521 4.170 0.008 0.000 0.285 14 I C 0.151 176.133 176.117 -0.225 0.000 1.021 14 I CA -0.804 60.354 61.300 -0.236 0.000 1.091 14 I CB 1.573 39.480 38.000 -0.154 0.000 1.242 14 I HN 0.678 nan 8.210 nan 0.000 0.439 15 N N 4.955 123.526 118.700 -0.215 0.000 2.740 15 N HA -0.193 4.551 4.740 0.008 0.000 0.248 15 N C 0.838 176.234 175.510 -0.189 0.000 1.062 15 N CA 1.348 54.294 53.050 -0.173 0.000 0.704 15 N CB -0.737 37.678 38.487 -0.121 0.000 0.968 15 N HN 1.145 nan 8.380 nan 0.000 0.547 16 G N -1.701 106.942 108.800 -0.262 0.000 2.184 16 G HA2 -0.311 3.654 3.960 0.008 0.000 0.264 16 G HA3 -0.311 3.654 3.960 0.008 0.000 0.264 16 G C -0.343 174.368 174.900 -0.315 0.000 0.975 16 G CA 0.758 45.691 45.100 -0.279 0.000 0.642 16 G HN 0.554 nan 8.290 nan 0.000 0.536 17 E N -0.722 119.294 120.200 -0.306 0.000 2.195 17 E HA 0.461 4.816 4.350 0.008 0.000 0.271 17 E C -0.536 175.875 176.600 -0.315 0.000 0.923 17 E CA -0.906 55.357 56.400 -0.229 0.000 0.790 17 E CB 0.879 30.519 29.700 -0.100 0.000 1.155 17 E HN 0.340 nan 8.360 nan 0.000 0.402 18 W N 3.172 124.447 121.300 -0.041 0.000 2.345 18 W HA 0.338 5.003 4.660 0.008 0.000 0.308 18 W C 0.018 176.514 176.519 -0.038 0.000 1.273 18 W CA -0.277 57.043 57.345 -0.042 0.000 1.243 18 W CB 0.452 29.889 29.460 -0.039 0.000 1.260 18 W HN 0.179 nan 8.180 nan 0.000 0.509 19 L N 3.457 124.781 121.223 0.169 0.000 2.371 19 L HA 0.463 4.808 4.340 0.008 0.000 0.262 19 L C -0.111 176.805 176.870 0.076 0.000 1.006 19 L CA -1.297 53.593 54.840 0.084 0.000 0.818 19 L CB 1.702 43.772 42.059 0.019 0.000 1.354 19 L HN 0.235 nan 8.230 nan 0.000 0.415 20 D N 0.657 121.085 120.400 0.048 0.000 2.387 20 D HA 0.417 5.061 4.640 0.008 0.000 0.251 20 D C 0.093 176.403 176.300 0.018 0.000 1.141 20 D CA -0.243 53.776 54.000 0.032 0.000 0.987 20 D CB 1.479 42.294 40.800 0.024 0.000 1.116 20 D HN 0.604 nan 8.370 nan 0.000 0.491 21 A N 1.056 123.884 122.820 0.012 0.000 2.520 21 A HA -0.044 4.281 4.320 0.008 0.000 0.235 21 A C 1.277 178.862 177.584 0.003 0.000 1.065 21 A CA -0.228 51.812 52.037 0.004 0.000 0.764 21 A CB 0.063 19.065 19.000 0.003 0.000 1.002 21 A HN 0.486 nan 8.150 nan 0.000 0.502 22 N N 1.680 120.379 118.700 -0.002 0.000 2.091 22 N HA -0.206 4.539 4.740 0.008 0.000 0.193 22 N C 1.141 176.651 175.510 0.000 0.000 1.021 22 N CA 2.014 55.063 53.050 -0.002 0.000 0.862 22 N CB -0.401 38.083 38.487 -0.005 0.000 1.018 22 N HN 0.884 nan 8.380 nan 0.000 0.429 23 N N -0.284 118.417 118.700 0.000 0.000 2.398 23 N HA 0.062 4.807 4.740 0.008 0.000 0.188 23 N C 1.037 176.549 175.510 0.004 0.000 1.122 23 N CA 0.818 53.869 53.050 0.001 0.000 0.866 23 N CB -0.383 38.104 38.487 0.001 0.000 0.970 23 N HN 0.227 nan 8.380 nan 0.000 0.462 24 G N -0.345 108.458 108.800 0.005 0.000 2.180 24 G HA2 -0.315 3.650 3.960 0.008 0.000 0.263 24 G HA3 -0.315 3.650 3.960 0.008 0.000 0.263 24 G C -0.296 174.609 174.900 0.009 0.000 0.989 24 G CA 0.402 45.506 45.100 0.008 0.000 0.692 24 G HN 0.442 nan 8.290 nan 0.000 0.526 25 E N 0.164 120.368 120.200 0.007 0.000 2.383 25 E HA 0.605 4.960 4.350 0.008 0.000 0.264 25 E C 0.547 177.152 176.600 0.009 0.000 1.050 25 E CA 0.665 57.069 56.400 0.008 0.000 0.896 25 E CB 1.460 31.163 29.700 0.005 0.000 0.982 25 E HN 0.819 nan 8.360 nan 0.000 0.424 26 A N 2.844 125.670 122.820 0.012 0.000 2.423 26 A HA 0.666 4.991 4.320 0.008 0.000 0.304 26 A C -0.492 177.099 177.584 0.010 0.000 1.104 26 A CA -0.733 51.312 52.037 0.014 0.000 0.757 26 A CB 0.923 19.937 19.000 0.024 0.000 1.313 26 A HN 0.538 nan 8.150 nan 0.000 0.423 27 I N 1.878 122.450 120.570 0.004 0.000 2.321 27 I HA 0.206 4.381 4.170 0.008 0.000 0.291 27 I C -0.754 175.366 176.117 0.006 0.000 0.998 27 I CA -0.578 60.720 61.300 -0.004 0.000 1.227 27 I CB 1.312 39.297 38.000 -0.024 0.000 1.368 27 I HN 0.510 nan 8.210 nan 0.000 0.466 28 D N 5.808 126.219 120.400 0.019 0.000 2.414 28 D HA 0.218 4.863 4.640 0.008 0.000 0.242 28 D C -0.365 175.952 176.300 0.030 0.000 1.129 28 D CA 0.155 54.182 54.000 0.045 0.000 0.885 28 D CB 1.565 42.390 40.800 0.043 0.000 1.198 28 D HN 0.038 nan 8.370 nan 0.000 0.437 29 V N 2.095 122.057 119.914 0.080 0.000 2.448 29 V HA 0.443 4.568 4.120 0.008 0.000 0.295 29 V C 0.467 176.639 176.094 0.130 0.000 1.025 29 V CA -0.701 61.639 62.300 0.066 0.000 0.859 29 V CB 1.668 33.491 31.823 -0.000 0.000 0.988 29 V HN 0.724 nan 8.190 nan 0.000 0.431 30 T N 0.614 115.209 114.554 0.068 0.000 2.950 30 T HA 0.454 4.809 4.350 0.008 0.000 0.288 30 T C -0.250 174.479 174.700 0.047 0.000 1.035 30 T CA -0.827 61.309 62.100 0.058 0.000 1.028 30 T CB 1.727 70.608 68.868 0.022 0.000 1.109 30 T HN 0.465 nan 8.240 nan 0.000 0.514 31 N N 2.444 121.166 118.700 0.038 0.000 2.411 31 N HA 0.240 4.985 4.740 0.008 0.000 0.259 31 N C -1.476 174.025 175.510 -0.014 0.000 1.103 31 N CA -2.381 50.681 53.050 0.020 0.000 0.954 31 N CB 1.238 39.739 38.487 0.022 0.000 1.085 31 N HN 0.377 nan 8.380 nan 0.000 0.485 32 P HA -0.069 nan 4.420 nan 0.000 0.225 32 P C 0.655 177.865 177.300 -0.150 0.000 1.148 32 P CA 0.673 63.702 63.100 -0.118 0.000 0.779 32 P CB 0.232 31.831 31.700 -0.167 0.000 0.780 33 A N 0.864 123.642 122.820 -0.071 0.000 2.014 33 A HA -0.119 4.206 4.320 0.008 0.000 0.218 33 A C 1.606 179.288 177.584 0.162 0.000 1.163 33 A CA 1.749 53.814 52.037 0.047 0.000 0.652 33 A CB -0.790 18.290 19.000 0.133 0.000 0.808 33 A HN 0.408 nan 8.150 nan 0.000 0.449 34 N N -5.097 113.649 118.700 0.076 0.000 1.885 34 N HA 0.236 4.981 4.740 0.008 0.000 0.229 34 N C 0.821 176.356 175.510 0.043 0.000 1.411 34 N CA 1.121 54.217 53.050 0.076 0.000 0.790 34 N CB -0.156 38.369 38.487 0.064 0.000 1.064 34 N HN 0.759 nan 8.380 nan 0.000 0.492 35 G N -0.131 108.683 108.800 0.023 0.000 2.175 35 G HA2 -0.251 3.714 3.960 0.008 0.000 0.244 35 G HA3 -0.251 3.714 3.960 0.008 0.000 0.244 35 G C -0.854 174.057 174.900 0.019 0.000 0.982 35 G CA 0.173 45.282 45.100 0.015 0.000 0.641 35 G HN 0.405 nan 8.290 nan 0.000 0.527 36 D N 0.800 121.214 120.400 0.023 0.000 2.443 36 D HA 0.289 4.934 4.640 0.008 0.000 0.239 36 D C 0.763 177.084 176.300 0.035 0.000 1.136 36 D CA 0.287 54.301 54.000 0.023 0.000 0.879 36 D CB 0.825 41.635 40.800 0.016 0.000 1.195 36 D HN 0.418 nan 8.370 nan 0.000 0.443 37 K N 2.441 122.865 120.400 0.041 0.000 2.379 37 K HA 0.083 4.408 4.320 0.008 0.000 0.284 37 K C 0.834 177.480 176.600 0.078 0.000 1.044 37 K CA -0.220 56.107 56.287 0.067 0.000 0.974 37 K CB 0.385 32.924 32.500 0.064 0.000 0.962 37 K HN 0.388 nan 8.250 nan 0.000 0.474 38 L N 2.935 124.238 121.223 0.133 0.000 2.249 38 L HA 0.208 4.553 4.340 0.008 0.000 0.207 38 L C 1.225 178.225 176.870 0.216 0.000 1.090 38 L CA 0.653 55.568 54.840 0.124 0.000 0.802 38 L CB 0.107 42.286 42.059 0.199 0.000 0.947 38 L HN 1.007 nan 8.230 nan 0.000 0.453 39 G N -0.962 108.045 108.800 0.344 0.000 2.404 39 G HA2 0.300 4.265 3.960 0.008 0.000 0.253 39 G HA3 0.300 4.265 3.960 0.008 0.000 0.253 39 G C -1.458 173.678 174.900 0.394 0.000 1.253 39 G CA 0.113 45.448 45.100 0.391 0.000 0.917 39 G HN 0.160 nan 8.290 nan 0.000 0.480 40 S N -1.868 114.058 115.700 0.377 0.000 2.615 40 S HA 0.895 5.370 4.470 0.008 0.000 0.269 40 S C -0.840 173.855 174.600 0.158 0.000 1.161 40 S CA 0.069 58.391 58.200 0.203 0.000 0.817 40 S CB 1.418 64.682 63.200 0.108 0.000 1.131 40 S HN 2.306 nan 8.310 nan 0.000 0.467 41 V N -3.079 116.859 119.914 0.039 0.000 3.078 41 V HA 0.817 4.942 4.120 0.008 0.000 0.311 41 V C -3.240 172.861 176.094 0.011 0.000 1.138 41 V CA -2.892 59.418 62.300 0.017 0.000 1.007 41 V CB 1.031 32.815 31.823 -0.065 0.000 1.045 41 V HN 0.752 nan 8.190 nan 0.000 0.432 42 P HA 0.133 nan 4.420 nan 0.000 0.265 42 P C -0.824 176.477 177.300 0.003 0.000 1.187 42 P CA 0.139 63.248 63.100 0.015 0.000 0.766 42 P CB 0.328 32.041 31.700 0.023 0.000 0.820 43 K N 4.146 124.547 120.400 0.003 0.000 2.403 43 K HA 0.252 4.577 4.320 0.008 0.000 0.235 43 K C -0.103 176.496 176.600 -0.002 0.000 1.142 43 K CA -0.203 56.084 56.287 -0.001 0.000 1.114 43 K CB -0.443 32.057 32.500 0.000 0.000 1.777 43 K HN 0.431 nan 8.250 nan 0.000 0.424 44 M N 0.550 120.147 119.600 -0.005 0.000 2.202 44 M HA 0.276 4.761 4.480 0.008 0.000 0.316 44 M C 0.908 177.203 176.300 -0.009 0.000 1.138 44 M CA -0.228 55.067 55.300 -0.008 0.000 1.151 44 M CB 1.126 33.718 32.600 -0.014 0.000 1.422 44 M HN 0.482 nan 8.290 nan 0.000 0.471 45 G N -0.478 108.316 108.800 -0.011 0.000 3.262 45 G HA2 0.615 4.580 3.960 0.008 0.000 0.229 45 G HA3 0.615 4.580 3.960 0.008 0.000 0.229 45 G C 0.459 175.351 174.900 -0.014 0.000 1.280 45 G CA -0.101 44.993 45.100 -0.010 0.000 0.951 45 G HN 0.767 nan 8.290 nan 0.000 0.589 46 A N -0.201 122.611 122.820 -0.013 0.000 1.892 46 A HA -0.080 4.245 4.320 0.008 0.000 0.218 46 A C 1.943 179.517 177.584 -0.017 0.000 1.188 46 A CA 2.588 54.617 52.037 -0.014 0.000 0.631 46 A CB -0.742 18.250 19.000 -0.013 0.000 0.822 46 A HN 0.494 nan 8.150 nan 0.000 0.447 47 D N -0.247 120.144 120.400 -0.015 0.000 2.106 47 D HA -0.153 4.492 4.640 0.008 0.000 0.191 47 D C 1.945 178.231 176.300 -0.022 0.000 0.997 47 D CA 1.853 55.843 54.000 -0.017 0.000 0.834 47 D CB -0.474 40.317 40.800 -0.014 0.000 0.956 47 D HN 0.608 nan 8.370 nan 0.000 0.448 48 E N -0.138 120.048 120.200 -0.023 0.000 2.106 48 E HA -0.085 4.270 4.350 0.008 0.000 0.192 48 E C 2.161 178.737 176.600 -0.039 0.000 0.984 48 E CA 1.233 57.614 56.400 -0.031 0.000 0.806 48 E CB -0.373 29.309 29.700 -0.029 0.000 0.750 48 E HN 0.191 nan 8.360 nan 0.000 0.458 49 T N 0.590 115.123 114.554 -0.034 0.000 2.746 49 T HA -0.184 4.171 4.350 0.008 0.000 0.267 49 T C 1.833 176.511 174.700 -0.036 0.000 1.039 49 T CA 1.421 63.499 62.100 -0.037 0.000 1.142 49 T CB -0.176 68.676 68.868 -0.027 0.000 0.866 49 T HN 0.108 nan 8.240 nan 0.000 0.444 50 R N 0.942 121.425 120.500 -0.029 0.000 2.083 50 R HA -0.077 4.268 4.340 0.008 0.000 0.237 50 R C 2.645 178.926 176.300 -0.032 0.000 1.137 50 R CA 1.527 57.611 56.100 -0.026 0.000 0.951 50 R CB -0.498 29.790 30.300 -0.021 0.000 0.851 50 R HN 0.387 nan 8.270 nan 0.000 0.434 51 A N 0.461 123.259 122.820 -0.035 0.000 1.933 51 A HA -0.104 4.221 4.320 0.008 0.000 0.218 51 A C 2.299 179.850 177.584 -0.055 0.000 1.175 51 A CA 1.669 53.681 52.037 -0.041 0.000 0.628 51 A CB -0.660 18.315 19.000 -0.041 0.000 0.814 51 A HN 0.553 nan 8.150 nan 0.000 0.444 52 A N -0.029 122.752 122.820 -0.064 0.000 1.898 52 A HA -0.049 4.276 4.320 0.008 0.000 0.216 52 A C 2.090 179.631 177.584 -0.072 0.000 1.181 52 A CA 1.437 53.423 52.037 -0.085 0.000 0.620 52 A CB -0.578 18.361 19.000 -0.100 0.000 0.819 52 A HN 0.485 nan 8.150 nan 0.000 0.442 53 I N -0.274 120.265 120.570 -0.052 0.000 2.226 53 I HA -0.257 3.918 4.170 0.008 0.000 0.245 53 I C 2.241 178.338 176.117 -0.032 0.000 1.100 53 I CA 1.927 63.205 61.300 -0.037 0.000 1.374 53 I CB -0.340 37.645 38.000 -0.025 0.000 1.057 53 I HN 0.384 nan 8.210 nan 0.000 0.413 54 D N 0.716 121.097 120.400 -0.033 0.000 2.144 54 D HA -0.133 4.512 4.640 0.008 0.000 0.200 54 D C 2.178 178.458 176.300 -0.033 0.000 0.978 54 D CA 1.290 55.274 54.000 -0.027 0.000 0.833 54 D CB 0.107 40.891 40.800 -0.026 0.000 0.961 54 D HN 0.290 nan 8.370 nan 0.000 0.470 55 A N 0.478 123.269 122.820 -0.049 0.000 1.902 55 A HA 0.032 4.356 4.320 0.008 0.000 0.217 55 A C 2.359 179.907 177.584 -0.059 0.000 1.181 55 A CA 2.052 54.053 52.037 -0.060 0.000 0.623 55 A CB -1.056 17.893 19.000 -0.085 0.000 0.818 55 A HN 0.311 nan 8.150 nan 0.000 0.443 56 A N 0.147 122.930 122.820 -0.062 0.000 1.902 56 A HA -0.217 4.108 4.320 0.008 0.000 0.217 56 A C 1.974 179.546 177.584 -0.020 0.000 1.181 56 A CA 2.106 54.111 52.037 -0.054 0.000 0.623 56 A CB -0.774 18.196 19.000 -0.050 0.000 0.818 56 A HN 0.585 nan 8.150 nan 0.000 0.443 57 N N -0.547 118.146 118.700 -0.011 0.000 2.104 57 N HA -0.173 4.572 4.740 0.008 0.000 0.190 57 N C 1.847 177.362 175.510 0.008 0.000 1.024 57 N CA 1.732 54.784 53.050 0.004 0.000 0.853 57 N CB -0.266 38.223 38.487 0.002 0.000 1.008 57 N HN 0.480 nan 8.380 nan 0.000 0.424 58 R N -0.657 119.841 120.500 -0.003 0.000 2.092 58 R HA 0.107 4.451 4.340 0.008 0.000 0.231 58 R C 1.784 178.091 176.300 0.012 0.000 1.119 58 R CA 1.277 57.377 56.100 0.001 0.000 0.970 58 R CB -0.188 30.105 30.300 -0.012 0.000 0.864 58 R HN 0.261 nan 8.270 nan 0.000 0.440 59 A N 0.093 122.916 122.820 0.005 0.000 2.169 59 A HA -0.020 4.305 4.320 0.008 0.000 0.212 59 A C 1.801 179.434 177.584 0.081 0.000 1.153 59 A CA 0.328 52.377 52.037 0.021 0.000 0.756 59 A CB -0.204 18.776 19.000 -0.033 0.000 0.813 59 A HN 0.294 nan 8.150 nan 0.000 0.471 60 L N 0.678 121.947 121.223 0.077 0.000 2.027 60 L HA 0.008 4.352 4.340 0.008 0.000 0.206 60 L C -0.843 176.113 176.870 0.143 0.000 1.074 60 L CA 2.247 57.165 54.840 0.130 0.000 0.745 60 L CB -1.144 40.971 42.059 0.094 0.000 0.898 60 L HN 0.122 nan 8.230 nan 0.000 0.433 61 P HA -0.172 nan 4.420 nan 0.000 0.216 61 P C 1.472 178.819 177.300 0.078 0.000 1.153 61 P CA 2.167 65.309 63.100 0.071 0.000 0.858 61 P CB -0.215 31.513 31.700 0.046 0.000 0.789 62 A N -1.564 121.315 122.820 0.098 0.000 2.014 62 A HA -0.148 4.177 4.320 0.008 0.000 0.218 62 A C 2.167 179.836 177.584 0.143 0.000 1.163 62 A CA 0.797 52.892 52.037 0.096 0.000 0.652 62 A CB -1.728 17.328 19.000 0.094 0.000 0.808 62 A HN 0.310 nan 8.150 nan 0.000 0.449 63 W N 0.770 122.069 121.300 -0.002 0.000 2.407 63 W HA -0.114 4.550 4.660 0.008 0.000 0.305 63 W C 2.259 178.779 176.519 0.001 0.000 1.196 63 W CA 1.374 58.718 57.345 -0.002 0.000 1.311 63 W CB -0.248 29.212 29.460 0.001 0.000 1.135 63 W HN 0.375 nan 8.180 nan 0.000 0.514 64 R N 0.955 121.487 120.500 0.054 0.000 2.105 64 R HA -0.172 4.173 4.340 0.008 0.000 0.239 64 R C 2.208 178.448 176.300 -0.100 0.000 1.135 64 R CA 2.040 58.114 56.100 -0.044 0.000 0.967 64 R CB -0.612 29.720 30.300 0.053 0.000 0.861 64 R HN 0.106 nan 8.270 nan 0.000 0.442 65 A N 0.751 123.535 122.820 -0.061 0.000 2.167 65 A HA 0.135 4.460 4.320 0.008 0.000 0.214 65 A C 0.915 178.438 177.584 -0.102 0.000 1.151 65 A CA 0.072 52.073 52.037 -0.062 0.000 0.735 65 A CB -0.162 18.825 19.000 -0.021 0.000 0.802 65 A HN 0.222 nan 8.150 nan 0.000 0.467 66 L N 0.978 122.098 121.223 -0.171 0.000 2.482 66 L HA 0.124 4.469 4.340 0.008 0.000 0.273 66 L C 1.335 178.085 176.870 -0.200 0.000 1.228 66 L CA -0.057 54.662 54.840 -0.202 0.000 0.827 66 L CB 0.256 42.119 42.059 -0.327 0.000 1.099 66 L HN 0.421 nan 8.230 nan 0.000 0.494 67 T N -1.231 113.229 114.554 -0.156 0.000 2.860 67 T HA 0.260 4.615 4.350 0.008 0.000 0.299 67 T C 1.141 175.733 174.700 -0.179 0.000 1.045 67 T CA -0.243 61.775 62.100 -0.136 0.000 1.071 67 T CB 1.338 70.150 68.868 -0.094 0.000 0.985 67 T HN 0.662 nan 8.240 nan 0.000 0.537 68 A N 1.286 124.014 122.820 -0.153 0.000 1.940 68 A HA -0.118 4.207 4.320 0.008 0.000 0.219 68 A C 2.352 179.856 177.584 -0.134 0.000 1.176 68 A CA 2.036 53.979 52.037 -0.157 0.000 0.631 68 A CB -0.915 18.005 19.000 -0.133 0.000 0.814 68 A HN 0.988 nan 8.150 nan 0.000 0.446 69 K N 0.195 120.532 120.400 -0.104 0.000 2.097 69 K HA -0.187 4.137 4.320 0.008 0.000 0.205 69 K C 1.984 178.541 176.600 -0.071 0.000 1.050 69 K CA 1.555 57.796 56.287 -0.077 0.000 0.938 69 K CB -0.172 32.295 32.500 -0.056 0.000 0.718 69 K HN 0.776 nan 8.250 nan 0.000 0.442 70 E N 0.089 120.233 120.200 -0.094 0.000 2.152 70 E HA -0.181 4.174 4.350 0.008 0.000 0.192 70 E C 2.025 178.562 176.600 -0.105 0.000 0.983 70 E CA 0.520 56.871 56.400 -0.082 0.000 0.818 70 E CB -0.165 29.488 29.700 -0.078 0.000 0.758 70 E HN 0.240 nan 8.360 nan 0.000 0.467 71 R N 0.916 121.284 120.500 -0.219 0.000 2.073 71 R HA -0.060 4.284 4.340 0.008 0.000 0.234 71 R C 2.569 178.856 176.300 -0.022 0.000 1.134 71 R CA 1.358 57.304 56.100 -0.257 0.000 0.952 71 R CB -0.460 29.551 30.300 -0.481 0.000 0.850 71 R HN 0.249 nan 8.270 nan 0.000 0.433 72 A N 0.398 123.194 122.820 -0.040 0.000 1.948 72 A HA -0.196 4.129 4.320 0.008 0.000 0.220 72 A C 2.170 179.782 177.584 0.048 0.000 1.177 72 A CA 2.131 54.170 52.037 0.003 0.000 0.636 72 A CB -0.853 18.122 19.000 -0.042 0.000 0.815 72 A HN 0.308 nan 8.150 nan 0.000 0.449 73 T N 0.126 114.703 114.554 0.038 0.000 2.708 73 T HA -0.086 4.269 4.350 0.008 0.000 0.266 73 T C 1.802 176.570 174.700 0.114 0.000 1.037 73 T CA 1.550 63.688 62.100 0.063 0.000 1.146 73 T CB -0.381 68.511 68.868 0.040 0.000 0.865 73 T HN 0.439 nan 8.240 nan 0.000 0.435 74 I N 0.628 121.280 120.570 0.136 0.000 2.202 74 I HA -0.119 4.056 4.170 0.008 0.000 0.242 74 I C 2.213 178.482 176.117 0.252 0.000 1.091 74 I CA 1.160 62.574 61.300 0.189 0.000 1.368 74 I CB -0.350 37.802 38.000 0.255 0.000 1.058 74 I HN 0.183 nan 8.210 nan 0.000 0.410 75 L N 0.113 121.505 121.223 0.282 0.000 2.056 75 L HA -0.190 4.154 4.340 0.008 0.000 0.207 75 L C 2.732 179.799 176.870 0.329 0.000 1.078 75 L CA 1.252 56.306 54.840 0.357 0.000 0.749 75 L CB -0.563 41.676 42.059 0.300 0.000 0.901 75 L HN 0.197 nan 8.230 nan 0.000 0.433 76 R N 0.283 120.922 120.500 0.232 0.000 2.092 76 R HA -0.149 4.196 4.340 0.008 0.000 0.231 76 R C 2.130 178.614 176.300 0.307 0.000 1.119 76 R CA 1.348 57.598 56.100 0.249 0.000 0.970 76 R CB -0.064 30.327 30.300 0.151 0.000 0.864 76 R HN 0.342 nan 8.270 nan 0.000 0.440 77 N N 0.108 118.958 118.700 0.251 0.000 2.104 77 N HA -0.227 4.518 4.740 0.008 0.000 0.190 77 N C 1.149 176.846 175.510 0.311 0.000 1.024 77 N CA 1.310 54.499 53.050 0.232 0.000 0.853 77 N CB -0.561 38.034 38.487 0.179 0.000 1.008 77 N HN 0.352 nan 8.380 nan 0.000 0.424 78 W N 1.447 122.826 121.300 0.132 0.000 2.355 78 W HA -0.103 4.562 4.660 0.008 0.000 0.309 78 W C 2.152 178.758 176.519 0.145 0.000 1.206 78 W CA 0.483 57.897 57.345 0.115 0.000 1.284 78 W CB -1.221 28.288 29.460 0.082 0.000 1.145 78 W HN 0.046 nan 8.180 nan 0.000 0.502 79 F N 2.378 122.421 119.950 0.155 0.000 2.043 79 F HA -0.327 4.205 4.527 0.008 0.000 0.297 79 F C 2.105 177.944 175.800 0.064 0.000 1.121 79 F CA 2.637 60.651 58.000 0.023 0.000 1.199 79 F CB -1.088 37.926 39.000 0.025 0.000 0.968 79 F HN -0.211 nan 8.300 nan 0.000 0.478 80 N N 0.978 119.642 118.700 -0.060 0.000 2.104 80 N HA -0.201 4.544 4.740 0.008 0.000 0.190 80 N C 2.071 177.518 175.510 -0.104 0.000 1.024 80 N CA 1.836 54.781 53.050 -0.175 0.000 0.853 80 N CB -0.776 37.737 38.487 0.042 0.000 1.008 80 N HN 0.388 nan 8.380 nan 0.000 0.424 81 L N 0.479 121.744 121.223 0.070 0.000 2.046 81 L HA -0.104 4.241 4.340 0.008 0.000 0.208 81 L C 2.409 179.388 176.870 0.181 0.000 1.077 81 L CA 0.964 55.918 54.840 0.191 0.000 0.747 81 L CB -0.303 41.939 42.059 0.305 0.000 0.896 81 L HN 0.165 nan 8.230 nan 0.000 0.432 82 M N -1.469 118.173 119.600 0.069 0.000 2.108 82 M HA -0.253 4.232 4.480 0.008 0.000 0.261 82 M C 2.310 178.578 176.300 -0.054 0.000 1.066 82 M CA 1.659 56.968 55.300 0.016 0.000 1.107 82 M CB -0.258 32.294 32.600 -0.080 0.000 1.356 82 M HN 0.250 nan 8.290 nan 0.000 0.406 83 M N -0.552 118.918 119.600 -0.217 0.000 2.200 83 M HA -0.126 4.359 4.480 0.008 0.000 0.265 83 M C 1.936 178.146 176.300 -0.150 0.000 1.066 83 M CA 1.455 56.621 55.300 -0.223 0.000 1.127 83 M CB -1.332 31.027 32.600 -0.401 0.000 1.379 83 M HN 0.340 nan 8.290 nan 0.000 0.420 84 E N 0.047 120.146 120.200 -0.168 0.000 2.058 84 E HA -0.212 4.142 4.350 0.008 0.000 0.194 84 E C 0.942 177.350 176.600 -0.320 0.000 0.997 84 E CA 1.113 57.361 56.400 -0.253 0.000 0.801 84 E CB 0.080 29.586 29.700 -0.323 0.000 0.746 84 E HN 0.555 nan 8.360 nan 0.000 0.450 85 H N 0.006 119.073 119.070 -0.005 0.000 2.524 85 H HA 0.070 4.631 4.556 0.008 0.000 0.299 85 H C 1.418 176.756 175.328 0.017 0.000 1.074 85 H CA 0.039 56.097 56.048 0.017 0.000 1.115 85 H CB 0.445 30.232 29.762 0.043 0.000 1.522 85 H HN 0.376 nan 8.280 nan 0.000 0.543 86 Q N 1.040 120.873 119.800 0.056 0.000 2.077 86 Q HA -0.177 4.168 4.340 0.008 0.000 0.206 86 Q C 0.921 176.954 176.000 0.055 0.000 0.989 86 Q CA 1.849 57.679 55.803 0.045 0.000 0.853 86 Q CB 0.326 29.068 28.738 0.006 0.000 0.907 86 Q HN 0.348 nan 8.270 nan 0.000 0.418 87 D N 0.406 120.831 120.400 0.041 0.000 2.097 87 D HA -0.146 4.498 4.640 0.008 0.000 0.195 87 D C 1.545 177.875 176.300 0.049 0.000 0.989 87 D CA 1.261 55.283 54.000 0.037 0.000 0.827 87 D CB -0.363 40.450 40.800 0.022 0.000 0.966 87 D HN 0.312 nan 8.370 nan 0.000 0.456 88 D N 0.226 120.668 120.400 0.071 0.000 2.117 88 D HA -0.078 4.567 4.640 0.008 0.000 0.197 88 D C 2.375 178.718 176.300 0.071 0.000 0.987 88 D CA 0.393 54.433 54.000 0.068 0.000 0.829 88 D CB -0.290 40.568 40.800 0.096 0.000 0.961 88 D HN 0.213 nan 8.370 nan 0.000 0.460 89 L N 0.513 121.794 121.223 0.096 0.000 2.046 89 L HA -0.138 4.207 4.340 0.008 0.000 0.208 89 L C 2.529 179.454 176.870 0.092 0.000 1.077 89 L CA 1.078 55.981 54.840 0.105 0.000 0.747 89 L CB -0.428 41.701 42.059 0.117 0.000 0.896 89 L HN -0.023 nan 8.230 nan 0.000 0.432 90 A N 0.227 123.092 122.820 0.075 0.000 1.877 90 A HA -0.259 4.066 4.320 0.008 0.000 0.216 90 A C 2.426 180.041 177.584 0.052 0.000 1.186 90 A CA 1.874 53.950 52.037 0.065 0.000 0.620 90 A CB -0.605 18.427 19.000 0.054 0.000 0.822 90 A HN 0.348 nan 8.150 nan 0.000 0.443 91 R N -0.932 119.590 120.500 0.037 0.000 2.083 91 R HA -0.165 4.180 4.340 0.008 0.000 0.237 91 R C 2.029 178.339 176.300 0.016 0.000 1.137 91 R CA 1.828 57.938 56.100 0.016 0.000 0.951 91 R CB -0.487 29.811 30.300 -0.003 0.000 0.851 91 R HN 0.394 nan 8.270 nan 0.000 0.434 92 L N 0.907 122.149 121.223 0.031 0.000 2.042 92 L HA -0.178 4.167 4.340 0.008 0.000 0.210 92 L C 2.424 179.358 176.870 0.106 0.000 1.076 92 L CA 1.969 56.841 54.840 0.052 0.000 0.749 92 L CB -0.394 41.724 42.059 0.098 0.000 0.893 92 L HN 0.372 nan 8.230 nan 0.000 0.432 93 M N -2.147 117.515 119.600 0.103 0.000 2.156 93 M HA -0.174 4.310 4.480 0.008 0.000 0.264 93 M C 2.029 178.374 176.300 0.076 0.000 1.067 93 M CA 1.959 57.324 55.300 0.108 0.000 1.131 93 M CB -0.190 32.470 32.600 0.100 0.000 1.368 93 M HN 0.196 nan 8.290 nan 0.000 0.416 94 T N 1.767 116.352 114.554 0.052 0.000 2.684 94 T HA -0.156 4.199 4.350 0.008 0.000 0.267 94 T C 1.728 176.448 174.700 0.033 0.000 1.036 94 T CA 1.771 63.891 62.100 0.034 0.000 1.148 94 T CB -0.460 68.423 68.868 0.025 0.000 0.863 94 T HN 0.384 nan 8.240 nan 0.000 0.436 95 L N 0.860 122.103 121.223 0.033 0.000 2.013 95 L HA -0.196 4.148 4.340 0.008 0.000 0.212 95 L C 2.834 179.741 176.870 0.062 0.000 1.073 95 L CA 1.984 56.841 54.840 0.028 0.000 0.753 95 L CB -0.568 41.486 42.059 -0.007 0.000 0.890 95 L HN 0.537 nan 8.230 nan 0.000 0.432 96 E N -0.177 120.091 120.200 0.113 0.000 2.140 96 E HA -0.233 4.121 4.350 0.008 0.000 0.191 96 E C 2.011 178.656 176.600 0.076 0.000 0.973 96 E CA 0.897 57.383 56.400 0.143 0.000 0.829 96 E CB -0.080 29.778 29.700 0.262 0.000 0.781 96 E HN 0.549 nan 8.360 nan 0.000 0.466 97 Q N 0.162 120.003 119.800 0.068 0.000 2.402 97 Q HA 0.253 4.598 4.340 0.008 0.000 0.231 97 Q C 1.505 177.506 176.000 0.001 0.000 0.888 97 Q CA 1.297 57.132 55.803 0.052 0.000 0.938 97 Q CB 0.930 29.731 28.738 0.104 0.000 1.086 97 Q HN 0.311 nan 8.270 nan 0.000 0.543 98 G N 0.833 109.630 108.800 -0.005 0.000 2.253 98 G HA2 -0.295 3.670 3.960 0.008 0.000 0.209 98 G HA3 -0.295 3.670 3.960 0.008 0.000 0.209 98 G C -0.129 174.758 174.900 -0.022 0.000 0.997 98 G CA -0.081 44.998 45.100 -0.036 0.000 0.640 98 G HN 0.615 nan 8.290 nan 0.000 0.496 99 K N 1.297 121.686 120.400 -0.019 0.000 2.336 99 K HA 0.459 4.783 4.320 0.008 0.000 0.262 99 K C -2.582 174.021 176.600 0.004 0.000 0.992 99 K CA -1.037 55.238 56.287 -0.019 0.000 0.927 99 K CB 0.387 32.857 32.500 -0.051 0.000 0.956 99 K HN 0.100 nan 8.250 nan 0.000 0.495 100 P HA -0.092 nan 4.420 nan 0.000 0.267 100 P C 0.554 177.866 177.300 0.019 0.000 1.200 100 P CA -0.304 62.806 63.100 0.018 0.000 0.772 100 P CB 0.395 32.105 31.700 0.018 0.000 0.855 101 L N 4.133 125.368 121.223 0.020 0.000 2.043 101 L HA -0.268 4.077 4.340 0.008 0.000 0.212 101 L C 2.177 179.063 176.870 0.027 0.000 1.075 101 L CA 2.517 57.370 54.840 0.022 0.000 0.752 101 L CB -1.453 40.616 42.059 0.017 0.000 0.891 101 L HN 0.455 nan 8.230 nan 0.000 0.432 102 A N -1.420 121.413 122.820 0.023 0.000 1.933 102 A HA -0.215 4.110 4.320 0.008 0.000 0.218 102 A C 2.216 179.821 177.584 0.035 0.000 1.175 102 A CA 1.732 53.785 52.037 0.026 0.000 0.628 102 A CB -0.530 18.481 19.000 0.019 0.000 0.814 102 A HN 0.592 nan 8.150 nan 0.000 0.444 103 E N -0.447 119.774 120.200 0.034 0.000 2.106 103 E HA -0.076 4.279 4.350 0.008 0.000 0.192 103 E C 2.338 178.975 176.600 0.062 0.000 0.984 103 E CA 0.800 57.226 56.400 0.044 0.000 0.806 103 E CB -0.219 29.498 29.700 0.027 0.000 0.750 103 E HN 0.618 nan 8.360 nan 0.000 0.458 104 A N 1.614 124.465 122.820 0.051 0.000 1.902 104 A HA -0.208 4.117 4.320 0.008 0.000 0.217 104 A C 1.952 179.585 177.584 0.082 0.000 1.181 104 A CA 1.383 53.459 52.037 0.066 0.000 0.623 104 A CB -0.248 18.784 19.000 0.052 0.000 0.818 104 A HN 0.040 nan 8.150 nan 0.000 0.443 105 K N -0.747 119.692 120.400 0.065 0.000 2.057 105 K HA -0.097 4.228 4.320 0.008 0.000 0.207 105 K C 2.132 178.781 176.600 0.080 0.000 1.049 105 K CA 1.087 57.412 56.287 0.064 0.000 0.931 105 K CB -0.461 32.066 32.500 0.045 0.000 0.714 105 K HN 0.470 nan 8.250 nan 0.000 0.440 106 G N 1.254 110.103 108.800 0.081 0.000 2.440 106 G HA2 -0.313 3.652 3.960 0.008 0.000 0.218 106 G HA3 -0.313 3.652 3.960 0.008 0.000 0.218 106 G C 1.355 176.348 174.900 0.155 0.000 1.154 106 G CA 0.853 46.008 45.100 0.093 0.000 0.767 106 G HN 0.391 nan 8.290 nan 0.000 0.552 107 E N -0.076 120.237 120.200 0.187 0.000 2.106 107 E HA -0.106 4.249 4.350 0.008 0.000 0.192 107 E C 2.474 179.229 176.600 0.258 0.000 0.984 107 E CA 0.506 57.084 56.400 0.296 0.000 0.806 107 E CB -0.059 29.835 29.700 0.323 0.000 0.750 107 E HN 0.311 nan 8.360 nan 0.000 0.458 108 I N 0.902 121.574 120.570 0.170 0.000 2.226 108 I HA -0.229 3.946 4.170 0.008 0.000 0.245 108 I C 2.577 178.767 176.117 0.121 0.000 1.100 108 I CA 1.061 62.436 61.300 0.125 0.000 1.374 108 I CB -1.473 36.581 38.000 0.089 0.000 1.057 108 I HN 0.134 nan 8.210 nan 0.000 0.413 109 S N -0.153 115.626 115.700 0.133 0.000 2.368 109 S HA -0.237 4.238 4.470 0.008 0.000 0.225 109 S C 2.183 176.899 174.600 0.194 0.000 1.030 109 S CA 1.238 59.519 58.200 0.135 0.000 0.999 109 S CB -0.410 62.859 63.200 0.114 0.000 0.844 109 S HN 0.473 nan 8.310 nan 0.000 0.459 110 Y N 2.056 122.402 120.300 0.078 0.000 2.163 110 Y HA 0.095 4.650 4.550 0.008 0.000 0.288 110 Y C 2.357 178.375 175.900 0.196 0.000 1.136 110 Y CA 1.132 59.277 58.100 0.074 0.000 1.147 110 Y CB -1.126 37.376 38.460 0.071 0.000 0.987 110 Y HN 0.255 nan 8.280 nan 0.000 0.509 111 A N 1.030 123.919 122.820 0.116 0.000 1.883 111 A HA -0.192 4.133 4.320 0.008 0.000 0.217 111 A C 2.475 180.110 177.584 0.084 0.000 1.186 111 A CA 2.438 54.504 52.037 0.049 0.000 0.624 111 A CB -1.654 17.372 19.000 0.042 0.000 0.822 111 A HN 0.663 nan 8.150 nan 0.000 0.444 112 A N 0.273 123.149 122.820 0.092 0.000 1.940 112 A HA -0.131 4.193 4.320 0.008 0.000 0.219 112 A C 2.498 180.250 177.584 0.280 0.000 1.176 112 A CA 2.500 54.640 52.037 0.171 0.000 0.631 112 A CB -1.071 18.016 19.000 0.146 0.000 0.814 112 A HN 1.150 nan 8.150 nan 0.000 0.446 113 S N -0.915 114.864 115.700 0.131 0.000 2.399 113 S HA -0.161 4.314 4.470 0.008 0.000 0.231 113 S C 1.683 176.140 174.600 -0.239 0.000 1.022 113 S CA 1.455 59.597 58.200 -0.096 0.000 0.983 113 S CB -0.833 62.246 63.200 -0.202 0.000 0.803 113 S HN 0.406 nan 8.310 nan 0.000 0.480 114 F N 1.826 121.704 119.950 -0.119 0.000 2.146 114 F HA 0.065 4.597 4.527 0.008 0.000 0.298 114 F C 2.356 178.215 175.800 0.099 0.000 1.096 114 F CA 0.666 58.655 58.000 -0.019 0.000 1.275 114 F CB -0.408 38.565 39.000 -0.045 0.000 1.008 114 F HN 0.182 nan 8.300 nan 0.000 0.480 115 I N 0.285 120.942 120.570 0.145 0.000 2.179 115 I HA -0.272 3.903 4.170 0.008 0.000 0.242 115 I C 2.415 178.542 176.117 0.017 0.000 1.088 115 I CA 1.563 62.898 61.300 0.058 0.000 1.357 115 I CB -1.401 36.531 38.000 -0.112 0.000 1.051 115 I HN 0.284 nan 8.210 nan 0.000 0.409 116 E N 0.605 120.685 120.200 -0.201 0.000 2.031 116 E HA -0.274 4.081 4.350 0.008 0.000 0.193 116 E C 2.353 178.805 176.600 -0.247 0.000 0.994 116 E CA 1.481 57.601 56.400 -0.467 0.000 0.800 116 E CB -0.392 28.593 29.700 -1.191 0.000 0.752 116 E HN 0.562 nan 8.360 nan 0.000 0.447 117 W N 0.566 121.627 121.300 -0.400 0.000 2.318 117 W HA -0.263 4.402 4.660 0.008 0.000 0.313 117 W C 1.550 177.826 176.519 -0.406 0.000 1.221 117 W CA 1.439 58.507 57.345 -0.461 0.000 1.266 117 W CB -0.544 28.519 29.460 -0.661 0.000 1.150 117 W HN 0.149 nan 8.180 nan 0.000 0.496 118 F N 0.854 120.788 119.950 -0.028 0.000 2.293 118 F HA -0.034 4.497 4.527 0.008 0.000 0.297 118 F C 2.793 178.505 175.800 -0.147 0.000 1.089 118 F CA 1.386 59.325 58.000 -0.102 0.000 1.377 118 F CB -1.090 37.943 39.000 0.056 0.000 1.051 118 F HN -0.119 nan 8.300 nan 0.000 0.511 119 A N 0.545 123.393 122.820 0.046 0.000 1.903 119 A HA -0.282 4.042 4.320 0.008 0.000 0.219 119 A C 2.048 179.558 177.584 -0.123 0.000 1.191 119 A CA 2.300 54.329 52.037 -0.012 0.000 0.638 119 A CB -0.791 18.205 19.000 -0.006 0.000 0.823 119 A HN 0.470 nan 8.150 nan 0.000 0.451 120 E N -1.241 118.812 120.200 -0.244 0.000 2.072 120 E HA -0.170 4.185 4.350 0.008 0.000 0.190 120 E C 2.082 178.445 176.600 -0.395 0.000 0.982 120 E CA 1.070 57.272 56.400 -0.330 0.000 0.803 120 E CB -0.135 29.304 29.700 -0.436 0.000 0.755 120 E HN 0.632 nan 8.360 nan 0.000 0.453 121 E N 0.647 120.540 120.200 -0.511 0.000 2.153 121 E HA -0.115 4.240 4.350 0.008 0.000 0.194 121 E C 2.014 178.475 176.600 -0.231 0.000 0.988 121 E CA 1.223 57.363 56.400 -0.433 0.000 0.811 121 E CB -0.531 28.940 29.700 -0.381 0.000 0.746 121 E HN 0.291 nan 8.360 nan 0.000 0.466 122 G N 0.289 109.005 108.800 -0.140 0.000 2.485 122 G HA2 -0.309 3.656 3.960 0.008 0.000 0.221 122 G HA3 -0.309 3.656 3.960 0.008 0.000 0.221 122 G C 1.391 176.189 174.900 -0.169 0.000 1.115 122 G CA 0.965 45.998 45.100 -0.113 0.000 0.751 122 G HN 0.254 nan 8.290 nan 0.000 0.567 123 K N -0.412 119.869 120.400 -0.198 0.000 2.459 123 K HA 0.154 4.479 4.320 0.008 0.000 0.193 123 K C 1.420 177.845 176.600 -0.293 0.000 1.030 123 K CA 0.176 56.346 56.287 -0.196 0.000 1.026 123 K CB 0.268 32.674 32.500 -0.157 0.000 0.809 123 K HN 0.166 nan 8.250 nan 0.000 0.504 124 R N 0.402 120.646 120.500 -0.426 0.000 2.659 124 R HA 0.268 4.613 4.340 0.008 0.000 0.418 124 R C -0.592 175.134 176.300 -0.956 0.000 1.076 124 R CA -0.188 55.398 56.100 -0.857 0.000 1.093 124 R CB 0.493 30.450 30.300 -0.572 0.000 1.400 124 R HN 0.014 nan 8.270 nan 0.000 0.583 125 I N 2.403 122.652 120.570 -0.536 0.000 2.372 125 I HA 0.043 4.217 4.170 0.008 0.000 0.298 125 I C -0.492 175.463 176.117 -0.270 0.000 1.137 125 I CA -0.087 61.026 61.300 -0.311 0.000 1.314 125 I CB -0.089 37.828 38.000 -0.139 0.000 1.444 125 I HN 0.022 nan 8.210 nan 0.000 0.541 126 Y N 4.796 125.092 120.300 -0.006 0.000 2.327 126 Y HA 0.493 5.048 4.550 0.008 0.000 0.336 126 Y C 1.025 176.931 175.900 0.011 0.000 1.035 126 Y CA -0.743 57.355 58.100 -0.003 0.000 1.165 126 Y CB 0.967 39.421 38.460 -0.009 0.000 1.181 126 Y HN 0.533 nan 8.280 nan 0.000 0.494 127 G N 1.994 110.899 108.800 0.175 0.000 2.535 127 G HA2 0.372 4.336 3.960 0.008 0.000 0.282 127 G HA3 0.372 4.336 3.960 0.008 0.000 0.282 127 G C -0.752 174.210 174.900 0.104 0.000 1.350 127 G CA -0.647 44.522 45.100 0.115 0.000 1.039 127 G HN 0.544 nan 8.290 nan 0.000 0.509 128 D N -1.070 119.377 120.400 0.079 0.000 2.490 128 D HA 0.492 5.137 4.640 0.008 0.000 0.232 128 D C -0.301 176.033 176.300 0.057 0.000 1.053 128 D CA -0.192 53.842 54.000 0.057 0.000 0.914 128 D CB 1.969 42.798 40.800 0.049 0.000 1.431 128 D HN 0.521 nan 8.370 nan 0.000 0.483 129 T N -1.785 112.794 114.554 0.041 0.000 2.855 129 T HA 0.764 5.119 4.350 0.008 0.000 0.281 129 T C -0.123 174.600 174.700 0.039 0.000 1.007 129 T CA -0.692 61.436 62.100 0.047 0.000 1.009 129 T CB 0.857 69.747 68.868 0.036 0.000 0.983 129 T HN 0.279 nan 8.240 nan 0.000 0.455 130 I N 2.896 123.496 120.570 0.051 0.000 2.498 130 I HA 0.398 4.573 4.170 0.008 0.000 0.290 130 I C -2.448 173.698 176.117 0.049 0.000 1.032 130 I CA -2.898 58.424 61.300 0.037 0.000 1.073 130 I CB 2.394 40.406 38.000 0.020 0.000 1.251 130 I HN 0.440 nan 8.210 nan 0.000 0.426 131 P HA 0.048 nan 4.420 nan 0.000 0.262 131 P C 0.192 177.533 177.300 0.068 0.000 1.182 131 P CA -0.028 63.096 63.100 0.041 0.000 0.761 131 P CB 0.377 32.093 31.700 0.027 0.000 0.795 132 G N 2.025 110.868 108.800 0.071 0.000 2.544 132 G HA2 0.036 4.001 3.960 0.008 0.000 0.242 132 G HA3 0.036 4.001 3.960 0.008 0.000 0.242 132 G C 0.997 175.965 174.900 0.112 0.000 1.247 132 G CA -0.323 44.841 45.100 0.108 0.000 0.840 132 G HN 0.699 nan 8.290 nan 0.000 0.578 133 H N -0.326 118.762 119.070 0.031 0.000 2.502 133 H HA 0.071 4.632 4.556 0.008 0.000 0.283 133 H C 0.545 175.885 175.328 0.021 0.000 1.015 133 H CA 0.740 56.802 56.048 0.023 0.000 1.298 133 H CB 0.330 30.108 29.762 0.028 0.000 1.411 133 H HN 0.521 nan 8.280 nan 0.000 0.556 134 Q N -1.177 118.413 119.800 -0.350 0.000 2.456 134 Q HA 0.634 4.979 4.340 0.008 0.000 0.283 134 Q C 0.420 176.329 176.000 -0.151 0.000 1.084 134 Q CA -0.276 55.390 55.803 -0.229 0.000 0.801 134 Q CB 2.376 30.939 28.738 -0.292 0.000 1.434 134 Q HN 0.132 nan 8.270 nan 0.000 0.419 135 A N 0.963 123.731 122.820 -0.087 0.000 2.019 135 A HA -0.158 4.167 4.320 0.008 0.000 0.219 135 A C 0.909 178.460 177.584 -0.055 0.000 1.164 135 A CA 1.952 53.956 52.037 -0.055 0.000 0.644 135 A CB -0.254 18.725 19.000 -0.035 0.000 0.805 135 A HN 0.783 nan 8.150 nan 0.000 0.449 136 D N -1.055 119.302 120.400 -0.072 0.000 2.395 136 D HA 0.119 4.764 4.640 0.008 0.000 0.226 136 D C -0.089 176.172 176.300 -0.065 0.000 1.146 136 D CA 0.046 54.013 54.000 -0.056 0.000 0.830 136 D CB 0.129 40.902 40.800 -0.045 0.000 0.958 136 D HN 0.061 nan 8.370 nan 0.000 0.501 137 K N 0.725 121.070 120.400 -0.093 0.000 2.316 137 K HA 0.491 4.816 4.320 0.008 0.000 0.251 137 K C -0.111 176.485 176.600 -0.006 0.000 0.934 137 K CA -0.677 55.568 56.287 -0.071 0.000 0.802 137 K CB 2.614 34.989 32.500 -0.208 0.000 1.171 137 K HN -0.067 nan 8.250 nan 0.000 0.426 138 R N 2.042 122.566 120.500 0.041 0.000 2.686 138 R HA 0.558 4.903 4.340 0.008 0.000 0.286 138 R C -0.515 175.857 176.300 0.120 0.000 0.969 138 R CA -0.817 55.322 56.100 0.065 0.000 0.898 138 R CB 1.266 31.590 30.300 0.039 0.000 1.183 138 R HN 0.518 nan 8.270 nan 0.000 0.456 139 L N 4.348 125.660 121.223 0.147 0.000 2.325 139 L HA 0.639 4.984 4.340 0.008 0.000 0.281 139 L C -0.247 176.726 176.870 0.171 0.000 1.004 139 L CA -0.618 54.360 54.840 0.230 0.000 0.823 139 L CB 1.466 43.679 42.059 0.256 0.000 1.236 139 L HN 0.421 nan 8.230 nan 0.000 0.415 140 I N 3.435 124.117 120.570 0.185 0.000 2.533 140 I HA 0.475 4.650 4.170 0.008 0.000 0.290 140 I C -0.709 175.509 176.117 0.169 0.000 1.056 140 I CA -0.861 60.518 61.300 0.131 0.000 1.057 140 I CB 2.723 40.770 38.000 0.078 0.000 1.240 140 I HN 0.190 nan 8.210 nan 0.000 0.423 141 V N 6.539 126.534 119.914 0.134 0.000 2.448 141 V HA 0.544 4.669 4.120 0.008 0.000 0.295 141 V C -0.076 176.075 176.094 0.094 0.000 1.025 141 V CA -0.537 61.842 62.300 0.131 0.000 0.859 141 V CB 1.773 33.661 31.823 0.108 0.000 0.988 141 V HN 0.592 nan 8.190 nan 0.000 0.431 142 I N 1.801 122.421 120.570 0.084 0.000 2.846 142 I HA 0.758 4.933 4.170 0.008 0.000 0.307 142 I C -0.732 175.422 176.117 0.061 0.000 1.053 142 I CA -1.018 60.320 61.300 0.064 0.000 1.050 142 I CB 2.404 40.432 38.000 0.047 0.000 1.239 142 I HN 0.402 nan 8.210 nan 0.000 0.439 143 K N 3.505 123.935 120.400 0.051 0.000 2.376 143 K HA 0.537 4.862 4.320 0.008 0.000 0.257 143 K C -1.253 175.370 176.600 0.037 0.000 0.939 143 K CA -0.577 55.740 56.287 0.049 0.000 0.809 143 K CB 2.227 34.758 32.500 0.051 0.000 1.121 143 K HN 0.588 nan 8.250 nan 0.000 0.425 144 Q N 2.339 122.164 119.800 0.043 0.000 2.413 144 Q HA 0.403 4.748 4.340 0.008 0.000 0.276 144 Q C -2.516 173.517 176.000 0.055 0.000 1.099 144 Q CA -2.489 53.337 55.803 0.038 0.000 0.814 144 Q CB 2.214 30.972 28.738 0.034 0.000 1.379 144 Q HN 0.342 nan 8.270 nan 0.000 0.436 145 P HA -0.076 nan 4.420 nan 0.000 0.264 145 P C 0.226 177.579 177.300 0.089 0.000 1.183 145 P CA 0.524 63.680 63.100 0.093 0.000 0.763 145 P CB 0.751 32.514 31.700 0.105 0.000 0.807 146 I N 1.232 121.863 120.570 0.101 0.000 2.493 146 I HA -0.094 4.081 4.170 0.008 0.000 0.254 146 I C 1.142 177.303 176.117 0.072 0.000 1.160 146 I CA 1.985 63.329 61.300 0.073 0.000 1.445 146 I CB -0.362 37.670 38.000 0.052 0.000 1.086 146 I HN 0.737 nan 8.210 nan 0.000 0.433 147 G N -0.516 108.343 108.800 0.097 0.000 2.253 147 G HA2 -0.148 3.817 3.960 0.008 0.000 0.190 147 G HA3 -0.148 3.817 3.960 0.008 0.000 0.190 147 G C -0.634 174.323 174.900 0.095 0.000 1.274 147 G CA -0.227 44.926 45.100 0.087 0.000 1.275 147 G HN 0.002 nan 8.290 nan 0.000 0.518 148 V N 2.359 122.314 119.914 0.068 0.000 2.508 148 V HA 0.528 4.653 4.120 0.008 0.000 0.281 148 V C 1.065 177.201 176.094 0.069 0.000 1.041 148 V CA 0.896 63.232 62.300 0.059 0.000 1.016 148 V CB 0.521 32.364 31.823 0.032 0.000 0.984 148 V HN 1.372 nan 8.190 nan 0.000 0.478 149 T N 2.468 117.077 114.554 0.091 0.000 2.908 149 T HA 0.860 5.214 4.350 0.008 0.000 0.290 149 T C -0.480 174.277 174.700 0.095 0.000 1.034 149 T CA -0.476 61.693 62.100 0.115 0.000 1.010 149 T CB 2.062 71.067 68.868 0.227 0.000 1.068 149 T HN 0.975 nan 8.240 nan 0.000 0.481 150 A N 1.169 124.041 122.820 0.087 0.000 2.355 150 A HA 0.948 5.273 4.320 0.008 0.000 0.324 150 A C -0.200 177.451 177.584 0.112 0.000 1.117 150 A CA -0.835 51.247 52.037 0.076 0.000 0.785 150 A CB 1.143 20.171 19.000 0.047 0.000 1.254 150 A HN 1.627 nan 8.150 nan 0.000 0.453 151 A N 1.707 124.594 122.820 0.112 0.000 2.393 151 A HA 0.757 5.082 4.320 0.008 0.000 0.306 151 A C -0.964 176.695 177.584 0.124 0.000 1.050 151 A CA -0.335 51.782 52.037 0.133 0.000 0.724 151 A CB 0.767 19.857 19.000 0.149 0.000 1.248 151 A HN 0.734 nan 8.150 nan 0.000 0.424 152 I N 2.433 123.103 120.570 0.165 0.000 2.418 152 I HA 0.461 4.636 4.170 0.008 0.000 0.287 152 I C 0.063 176.238 176.117 0.096 0.000 1.008 152 I CA -0.337 61.081 61.300 0.197 0.000 1.104 152 I CB 2.426 40.651 38.000 0.374 0.000 1.264 152 I HN 0.756 nan 8.210 nan 0.000 0.438 153 T N 3.883 118.466 114.554 0.048 0.000 2.887 153 T HA 0.678 5.033 4.350 0.008 0.000 0.288 153 T C -2.719 171.957 174.700 -0.039 0.000 1.021 153 T CA -2.024 60.053 62.100 -0.038 0.000 1.000 153 T CB 2.336 71.209 68.868 0.008 0.000 1.034 153 T HN 0.221 nan 8.240 nan 0.000 0.467 154 P HA 0.310 nan 4.420 nan 0.000 0.297 154 P C 0.664 177.905 177.300 -0.097 0.000 1.307 154 P CA -0.818 62.176 63.100 -0.176 0.000 0.773 154 P CB 0.934 32.397 31.700 -0.395 0.000 1.265 155 W N 0.429 121.756 121.300 0.045 0.000 3.114 155 W HA 0.052 4.717 4.660 0.007 0.000 0.279 155 W C 0.861 177.387 176.519 0.012 0.000 1.277 155 W CA 0.323 57.686 57.345 0.030 0.000 1.630 155 W CB -1.566 27.904 29.460 0.016 0.000 1.087 155 W HN 0.233 nan 8.180 nan 0.000 0.637 156 N N 1.794 120.227 118.700 -0.446 0.000 2.333 156 N HA -0.122 4.623 4.740 0.008 0.000 0.178 156 N C -0.200 174.999 175.510 -0.519 0.000 1.018 156 N CA 0.580 53.366 53.050 -0.439 0.000 0.882 156 N CB -1.101 36.956 38.487 -0.716 0.000 0.984 156 N HN 0.037 nan 8.380 nan 0.000 0.434 157 F N 0.400 120.302 119.950 -0.079 0.000 2.564 157 F HA 0.451 4.983 4.527 0.008 0.000 0.361 157 F C -1.818 173.988 175.800 0.010 0.000 1.161 157 F CA -2.133 55.863 58.000 -0.006 0.000 1.198 157 F CB 2.181 41.179 39.000 -0.004 0.000 1.424 157 F HN -0.114 nan 8.300 nan 0.000 0.517 158 P HA -0.079 nan 4.420 nan 0.000 0.226 158 P C 1.083 178.465 177.300 0.137 0.000 1.153 158 P CA 0.973 64.151 63.100 0.130 0.000 0.777 158 P CB 0.453 32.234 31.700 0.135 0.000 0.794 159 A N -0.369 122.539 122.820 0.146 0.000 1.970 159 A HA 0.412 4.737 4.320 0.008 0.000 0.204 159 A C 2.214 179.830 177.584 0.054 0.000 1.325 159 A CA 0.838 52.943 52.037 0.114 0.000 0.767 159 A CB -1.186 17.887 19.000 0.122 0.000 0.949 159 A HN 0.091 nan 8.150 nan 0.000 0.481 160 A N -0.097 122.774 122.820 0.086 0.000 1.908 160 A HA -0.144 4.181 4.320 0.008 0.000 0.218 160 A C 2.153 179.606 177.584 -0.219 0.000 1.181 160 A CA 2.027 54.015 52.037 -0.080 0.000 0.627 160 A CB -0.598 18.412 19.000 0.016 0.000 0.818 160 A HN 0.415 nan 8.150 nan 0.000 0.445 161 M N -0.320 119.232 119.600 -0.079 0.000 2.149 161 M HA -0.136 4.349 4.480 0.008 0.000 0.261 161 M C 2.011 178.252 176.300 -0.098 0.000 1.064 161 M CA 1.207 56.439 55.300 -0.113 0.000 1.102 161 M CB -1.233 31.343 32.600 -0.041 0.000 1.369 161 M HN 0.329 nan 8.290 nan 0.000 0.408 162 I N 0.404 120.956 120.570 -0.030 0.000 2.113 162 I HA -0.225 3.950 4.170 0.008 0.000 0.238 162 I C 2.722 178.796 176.117 -0.072 0.000 1.070 162 I CA 2.275 63.594 61.300 0.032 0.000 1.332 162 I CB -2.203 35.876 38.000 0.132 0.000 1.044 162 I HN 0.354 nan 8.210 nan 0.000 0.402 163 T N -0.827 113.621 114.554 -0.176 0.000 2.867 163 T HA -0.161 4.194 4.350 0.008 0.000 0.268 163 T C 2.040 176.575 174.700 -0.275 0.000 1.057 163 T CA 0.937 62.886 62.100 -0.252 0.000 1.136 163 T CB -0.454 68.273 68.868 -0.235 0.000 0.874 163 T HN 0.214 nan 8.240 nan 0.000 0.466 164 R N 0.936 121.129 120.500 -0.512 0.000 2.241 164 R HA 0.087 4.432 4.340 0.008 0.000 0.224 164 R C 2.358 178.487 176.300 -0.286 0.000 1.101 164 R CA 1.188 56.899 56.100 -0.649 0.000 0.995 164 R CB -0.006 29.790 30.300 -0.840 0.000 0.870 164 R HN 0.508 nan 8.270 nan 0.000 0.463 165 K N -1.403 118.876 120.400 -0.201 0.000 2.325 165 K HA 0.220 4.545 4.320 0.008 0.000 0.203 165 K C 1.924 178.390 176.600 -0.224 0.000 1.128 165 K CA 0.574 56.788 56.287 -0.121 0.000 0.931 165 K CB 0.188 32.712 32.500 0.040 0.000 1.125 165 K HN 0.003 nan 8.250 nan 0.000 0.487 166 A N 1.727 124.481 122.820 -0.110 0.000 1.930 166 A HA -0.045 4.279 4.320 0.008 0.000 0.217 166 A C 2.252 179.746 177.584 -0.150 0.000 1.175 166 A CA 1.887 53.874 52.037 -0.083 0.000 0.627 166 A CB -1.254 17.698 19.000 -0.080 0.000 0.815 166 A HN 0.379 nan 8.150 nan 0.000 0.443 167 G N 0.649 109.346 108.800 -0.171 0.000 2.587 167 G HA2 -0.218 3.747 3.960 0.008 0.000 0.217 167 G HA3 -0.218 3.747 3.960 0.008 0.000 0.217 167 G C 0.028 174.755 174.900 -0.287 0.000 1.240 167 G CA 1.354 46.416 45.100 -0.064 0.000 0.794 167 G HN 0.532 nan 8.290 nan 0.000 0.580 168 P HA -0.029 nan 4.420 nan 0.000 0.218 168 P C 2.021 178.863 177.300 -0.764 0.000 1.149 168 P CA 1.999 64.412 63.100 -1.145 0.000 0.817 168 P CB -0.164 30.641 31.700 -1.491 0.000 0.785 169 A N 0.768 123.030 122.820 -0.930 0.000 1.858 169 A HA -0.137 4.187 4.320 0.008 0.000 0.216 169 A C 2.469 180.010 177.584 -0.071 0.000 1.190 169 A CA 1.518 53.224 52.037 -0.551 0.000 0.617 169 A CB -1.558 17.235 19.000 -0.345 0.000 0.827 169 A HN 0.097 nan 8.150 nan 0.000 0.443 170 L N -1.025 120.207 121.223 0.014 0.000 2.093 170 L HA -0.151 4.194 4.340 0.008 0.000 0.208 170 L C 3.026 180.138 176.870 0.403 0.000 1.085 170 L CA 1.222 56.256 54.840 0.323 0.000 0.755 170 L CB -0.827 41.393 42.059 0.268 0.000 0.904 170 L HN 0.475 nan 8.230 nan 0.000 0.435 171 A N 0.157 123.073 122.820 0.160 0.000 2.014 171 A HA -0.017 4.308 4.320 0.008 0.000 0.218 171 A C 2.465 180.070 177.584 0.035 0.000 1.163 171 A CA 1.336 53.430 52.037 0.095 0.000 0.652 171 A CB -0.396 18.665 19.000 0.102 0.000 0.808 171 A HN 0.376 nan 8.150 nan 0.000 0.449 172 A N -1.737 121.103 122.820 0.034 0.000 2.119 172 A HA 0.353 4.678 4.320 0.008 0.000 0.217 172 A C 1.896 179.519 177.584 0.065 0.000 1.153 172 A CA 1.515 53.581 52.037 0.049 0.000 0.692 172 A CB -0.769 18.286 19.000 0.091 0.000 0.799 172 A HN 1.842 nan 8.150 nan 0.000 0.458 173 G N -2.595 106.281 108.800 0.127 0.000 2.159 173 G HA2 -0.222 3.743 3.960 0.008 0.000 0.227 173 G HA3 -0.222 3.743 3.960 0.008 0.000 0.227 173 G C 0.191 175.295 174.900 0.341 0.000 0.986 173 G CA -0.077 45.094 45.100 0.118 0.000 0.651 173 G HN 0.625 nan 8.290 nan 0.000 0.523 174 C N 1.478 120.970 119.300 0.319 0.000 2.520 174 C HA 0.797 5.262 4.460 0.008 0.000 0.376 174 C C 1.300 176.418 174.990 0.213 0.000 1.268 174 C CA 0.425 59.599 59.018 0.259 0.000 2.414 174 C CB 0.790 28.659 27.740 0.215 0.000 2.521 174 C HN 0.847 nan 8.230 nan 0.000 0.618 175 T N -0.037 114.580 114.554 0.104 0.000 2.952 175 T HA 0.717 5.072 4.350 0.008 0.000 0.286 175 T C -0.760 173.957 174.700 0.028 0.000 1.024 175 T CA -0.665 61.420 62.100 -0.025 0.000 1.029 175 T CB 1.437 70.272 68.868 -0.056 0.000 1.094 175 T HN 0.774 nan 8.240 nan 0.000 0.515 176 M N 1.732 121.340 119.600 0.012 0.000 2.378 176 M HA 0.598 5.082 4.480 0.008 0.000 0.289 176 M C -2.230 174.052 176.300 -0.029 0.000 1.136 176 M CA -0.785 54.553 55.300 0.064 0.000 0.917 176 M CB 2.095 34.813 32.600 0.198 0.000 1.669 176 M HN 0.549 nan 8.290 nan 0.000 0.461 177 V N 5.494 125.388 119.914 -0.033 0.000 2.357 177 V HA 0.522 4.647 4.120 0.008 0.000 0.284 177 V C -0.882 175.174 176.094 -0.063 0.000 1.018 177 V CA -0.643 61.598 62.300 -0.098 0.000 0.841 177 V CB 1.511 33.292 31.823 -0.070 0.000 0.991 177 V HN 0.826 nan 8.190 nan 0.000 0.437 178 L N 5.142 126.282 121.223 -0.137 0.000 2.322 178 L HA 0.600 4.945 4.340 0.008 0.000 0.281 178 L C -0.105 176.736 176.870 -0.049 0.000 1.014 178 L CA -0.318 54.492 54.840 -0.051 0.000 0.815 178 L CB 1.289 43.329 42.059 -0.032 0.000 1.247 178 L HN 0.562 nan 8.230 nan 0.000 0.421 179 K N 7.485 127.893 120.400 0.012 0.000 2.334 179 K HA 0.506 4.831 4.320 0.008 0.000 0.265 179 K C -2.691 173.939 176.600 0.051 0.000 1.039 179 K CA -1.812 54.488 56.287 0.021 0.000 0.920 179 K CB 1.447 33.968 32.500 0.034 0.000 1.160 179 K HN 0.321 nan 8.250 nan 0.000 0.451 180 P HA 0.156 nan 4.420 nan 0.000 0.278 180 P C -0.844 176.496 177.300 0.067 0.000 1.266 180 P CA -0.559 62.580 63.100 0.064 0.000 0.807 180 P CB 0.886 32.626 31.700 0.066 0.000 1.094 181 A N 1.377 124.251 122.820 0.090 0.000 2.520 181 A HA 0.111 4.436 4.320 0.008 0.000 0.245 181 A C 1.661 179.285 177.584 0.067 0.000 1.072 181 A CA 0.194 52.305 52.037 0.124 0.000 0.761 181 A CB -0.825 18.312 19.000 0.227 0.000 1.004 181 A HN 0.501 nan 8.150 nan 0.000 0.499 182 S N 1.443 117.172 115.700 0.049 0.000 2.419 182 S HA -0.173 4.302 4.470 0.008 0.000 0.233 182 S C 1.790 176.363 174.600 -0.045 0.000 1.016 182 S CA 1.902 60.095 58.200 -0.011 0.000 0.974 182 S CB -0.180 63.018 63.200 -0.003 0.000 0.786 182 S HN 0.827 nan 8.310 nan 0.000 0.492 183 Q N 0.353 120.151 119.800 -0.004 0.000 2.311 183 Q HA 0.008 4.353 4.340 0.008 0.000 0.203 183 Q C 0.711 176.697 176.000 -0.022 0.000 0.954 183 Q CA 1.111 56.890 55.803 -0.039 0.000 0.885 183 Q CB 0.185 28.867 28.738 -0.093 0.000 0.963 183 Q HN 0.598 nan 8.270 nan 0.000 0.471 184 T N -3.115 111.452 114.554 0.023 0.000 3.658 184 T HA 0.267 4.622 4.350 0.008 0.000 0.245 184 T C -2.538 172.161 174.700 -0.002 0.000 1.292 184 T CA -1.390 60.734 62.100 0.038 0.000 1.598 184 T CB 1.020 69.976 68.868 0.146 0.000 0.861 184 T HN -0.079 nan 8.240 nan 0.000 0.663 185 P HA 0.199 nan 4.420 nan 0.000 0.234 185 P C 1.045 178.331 177.300 -0.023 0.000 1.175 185 P CA -0.031 62.991 63.100 -0.130 0.000 0.801 185 P CB -0.091 31.461 31.700 -0.246 0.000 0.891 186 F N 0.996 121.029 119.950 0.140 0.000 2.171 186 F HA -0.086 4.446 4.527 0.008 0.000 0.300 186 F C 2.556 178.457 175.800 0.168 0.000 1.090 186 F CA 1.047 59.145 58.000 0.163 0.000 1.293 186 F CB -1.703 37.442 39.000 0.241 0.000 1.013 186 F HN -0.091 nan 8.300 nan 0.000 0.486 187 S N 0.032 115.929 115.700 0.328 0.000 2.370 187 S HA -0.204 4.271 4.470 0.008 0.000 0.226 187 S C 2.396 177.145 174.600 0.249 0.000 1.033 187 S CA 1.154 59.506 58.200 0.253 0.000 1.011 187 S CB -0.704 62.615 63.200 0.199 0.000 0.852 187 S HN 0.373 nan 8.310 nan 0.000 0.457 188 A N 1.220 124.178 122.820 0.231 0.000 1.873 188 A HA 0.025 4.349 4.320 0.008 0.000 0.215 188 A C 2.097 179.866 177.584 0.309 0.000 1.186 188 A CA 1.123 53.312 52.037 0.252 0.000 0.616 188 A CB -0.675 18.437 19.000 0.187 0.000 0.823 188 A HN 0.459 nan 8.150 nan 0.000 0.442 189 L N -0.853 120.546 121.223 0.292 0.000 2.141 189 L HA -0.133 4.212 4.340 0.008 0.000 0.209 189 L C 3.030 180.127 176.870 0.379 0.000 1.094 189 L CA 0.799 55.852 54.840 0.355 0.000 0.763 189 L CB -0.478 41.780 42.059 0.330 0.000 0.908 189 L HN 0.443 nan 8.230 nan 0.000 0.437 190 A N -0.040 122.963 122.820 0.306 0.000 1.898 190 A HA -0.170 4.155 4.320 0.008 0.000 0.216 190 A C 2.125 179.897 177.584 0.313 0.000 1.181 190 A CA 1.269 53.458 52.037 0.254 0.000 0.620 190 A CB -0.526 18.603 19.000 0.214 0.000 0.819 190 A HN 0.229 nan 8.150 nan 0.000 0.442 191 L N -0.220 121.224 121.223 0.369 0.000 2.042 191 L HA -0.161 4.183 4.340 0.008 0.000 0.210 191 L C 2.983 180.226 176.870 0.622 0.000 1.076 191 L CA 1.841 56.991 54.840 0.516 0.000 0.749 191 L CB -1.279 41.054 42.059 0.457 0.000 0.893 191 L HN 0.424 nan 8.230 nan 0.000 0.432 192 A N -0.576 122.578 122.820 0.557 0.000 1.883 192 A HA -0.285 4.040 4.320 0.008 0.000 0.217 192 A C 2.299 180.068 177.584 0.308 0.000 1.186 192 A CA 1.907 54.210 52.037 0.443 0.000 0.624 192 A CB -0.625 18.557 19.000 0.304 0.000 0.822 192 A HN 0.457 nan 8.150 nan 0.000 0.444 193 E N 0.363 120.838 120.200 0.460 0.000 2.058 193 E HA -0.169 4.186 4.350 0.008 0.000 0.194 193 E C 1.773 178.496 176.600 0.205 0.000 0.997 193 E CA 1.640 58.294 56.400 0.425 0.000 0.801 193 E CB -0.510 29.366 29.700 0.293 0.000 0.746 193 E HN 0.591 nan 8.360 nan 0.000 0.450 194 L N -0.079 121.269 121.223 0.209 0.000 2.201 194 L HA -0.060 4.285 4.340 0.008 0.000 0.212 194 L C 2.537 179.377 176.870 -0.050 0.000 1.105 194 L CA 0.820 55.771 54.840 0.186 0.000 0.775 194 L CB -0.611 41.675 42.059 0.379 0.000 0.913 194 L HN 0.257 nan 8.230 nan 0.000 0.440 195 A N 0.620 123.206 122.820 -0.389 0.000 1.902 195 A HA -0.189 4.136 4.320 0.008 0.000 0.217 195 A C 2.144 179.482 177.584 -0.410 0.000 1.181 195 A CA 1.361 52.826 52.037 -0.953 0.000 0.623 195 A CB -0.424 17.879 19.000 -1.161 0.000 0.818 195 A HN 0.236 nan 8.150 nan 0.000 0.443 196 I N 0.092 120.551 120.570 -0.184 0.000 2.127 196 I HA -0.252 3.922 4.170 0.008 0.000 0.241 196 I C 2.517 178.610 176.117 -0.041 0.000 1.075 196 I CA 1.665 62.912 61.300 -0.088 0.000 1.334 196 I CB -1.566 36.442 38.000 0.014 0.000 1.040 196 I HN 0.365 nan 8.210 nan 0.000 0.405 197 R N 0.719 121.221 120.500 0.004 0.000 2.127 197 R HA -0.096 4.249 4.340 0.008 0.000 0.238 197 R C 2.188 178.509 176.300 0.036 0.000 1.134 197 R CA 1.416 57.539 56.100 0.038 0.000 0.975 197 R CB -0.417 29.925 30.300 0.072 0.000 0.865 197 R HN 0.400 nan 8.270 nan 0.000 0.447 198 A N 0.036 122.856 122.820 0.001 0.000 2.119 198 A HA 0.122 4.447 4.320 0.008 0.000 0.217 198 A C 1.538 179.138 177.584 0.027 0.000 1.153 198 A CA 1.158 53.218 52.037 0.038 0.000 0.692 198 A CB -0.049 18.974 19.000 0.038 0.000 0.799 198 A HN 0.478 nan 8.150 nan 0.000 0.458 199 G N -2.022 106.768 108.800 -0.016 0.000 2.148 199 G HA2 -0.143 3.822 3.960 0.008 0.000 0.203 199 G HA3 -0.143 3.822 3.960 0.008 0.000 0.203 199 G C 0.065 174.961 174.900 -0.006 0.000 0.993 199 G CA -0.086 45.020 45.100 0.010 0.000 0.661 199 G HN 0.720 nan 8.290 nan 0.000 0.518 200 V N 2.424 122.267 119.914 -0.119 0.000 2.450 200 V HA 0.294 4.419 4.120 0.008 0.000 0.281 200 V C -0.995 174.988 176.094 -0.185 0.000 1.019 200 V CA -0.659 61.510 62.300 -0.219 0.000 1.062 200 V CB 0.770 32.321 31.823 -0.453 0.000 0.979 200 V HN 0.217 nan 8.190 nan 0.000 0.477 201 P HA 0.211 nan 4.420 nan 0.000 0.270 201 P C -0.242 176.969 177.300 -0.148 0.000 1.223 201 P CA -0.253 62.797 63.100 -0.082 0.000 0.785 201 P CB 0.477 32.188 31.700 0.017 0.000 0.923 202 A N 1.956 124.708 122.820 -0.114 0.000 2.566 202 A HA 0.379 4.704 4.320 0.008 0.000 0.245 202 A C 1.542 179.042 177.584 -0.140 0.000 1.056 202 A CA 0.930 52.885 52.037 -0.137 0.000 0.757 202 A CB -1.584 17.352 19.000 -0.106 0.000 0.979 202 A HN 0.890 nan 8.150 nan 0.000 0.508 203 G N 1.148 109.843 108.800 -0.174 0.000 2.241 203 G HA2 -0.267 3.698 3.960 0.008 0.000 0.244 203 G HA3 -0.267 3.698 3.960 0.008 0.000 0.244 203 G C 0.934 175.725 174.900 -0.181 0.000 0.998 203 G CA 0.531 45.537 45.100 -0.158 0.000 0.621 203 G HN 1.220 nan 8.290 nan 0.000 0.519 204 V N -0.485 119.279 119.914 -0.250 0.000 2.453 204 V HA 0.316 4.441 4.120 0.008 0.000 0.247 204 V C 0.961 176.910 176.094 -0.241 0.000 1.048 204 V CA 2.080 64.150 62.300 -0.384 0.000 1.049 204 V CB -0.189 31.168 31.823 -0.777 0.000 0.672 204 V HN 0.537 nan 8.190 nan 0.000 0.457 205 F N 1.710 121.437 119.950 -0.372 0.000 2.553 205 F HA 0.519 5.051 4.527 0.008 0.000 0.335 205 F C -0.533 175.125 175.800 -0.236 0.000 1.148 205 F CA -1.226 56.605 58.000 -0.283 0.000 0.963 205 F CB 0.968 39.767 39.000 -0.335 0.000 1.217 205 F HN 0.016 nan 8.300 nan 0.000 0.441 206 N N 5.145 123.453 118.700 -0.653 0.000 2.269 206 N HA 0.584 5.329 4.740 0.008 0.000 0.304 206 N C -1.691 173.419 175.510 -0.667 0.000 1.072 206 N CA -0.643 52.068 53.050 -0.566 0.000 0.802 206 N CB 2.978 41.272 38.487 -0.321 0.000 1.348 206 N HN 0.266 nan 8.380 nan 0.000 0.484 207 V N 1.907 121.512 119.914 -0.514 0.000 2.407 207 V HA 0.332 4.457 4.120 0.008 0.000 0.291 207 V C -0.180 175.804 176.094 -0.185 0.000 1.018 207 V CA -0.727 61.366 62.300 -0.345 0.000 0.842 207 V CB 1.756 33.425 31.823 -0.257 0.000 0.996 207 V HN 0.360 nan 8.190 nan 0.000 0.426 208 V N 4.402 124.240 119.914 -0.128 0.000 2.384 208 V HA 0.519 4.644 4.120 0.008 0.000 0.287 208 V C 0.384 176.455 176.094 -0.038 0.000 1.020 208 V CA -0.436 61.819 62.300 -0.076 0.000 0.850 208 V CB 2.150 33.930 31.823 -0.072 0.000 0.987 208 V HN 0.988 nan 8.190 nan 0.000 0.436 209 T N 1.709 116.250 114.554 -0.022 0.000 2.829 209 T HA 0.906 5.261 4.350 0.008 0.000 0.282 209 T C 0.198 174.892 174.700 -0.011 0.000 0.990 209 T CA -0.017 62.075 62.100 -0.013 0.000 1.028 209 T CB 1.859 70.717 68.868 -0.015 0.000 0.951 209 T HN 1.221 nan 8.240 nan 0.000 0.460 210 G N 1.229 110.025 108.800 -0.006 0.000 2.325 210 G HA2 0.482 4.447 3.960 0.008 0.000 0.295 210 G HA3 0.482 4.447 3.960 0.008 0.000 0.295 210 G C -0.627 174.275 174.900 0.003 0.000 1.274 210 G CA -0.435 44.663 45.100 -0.004 0.000 0.857 210 G HN 1.215 nan 8.290 nan 0.000 0.499 211 S N 0.002 115.704 115.700 0.003 0.000 2.562 211 S HA 0.525 5.000 4.470 0.008 0.000 0.281 211 S C 1.701 176.308 174.600 0.012 0.000 1.333 211 S CA 0.807 59.011 58.200 0.007 0.000 1.052 211 S CB 1.495 64.697 63.200 0.003 0.000 0.884 211 S HN 2.028 nan 8.310 nan 0.000 0.506 212 A N 3.928 126.761 122.820 0.021 0.000 1.865 212 A HA 0.073 4.398 4.320 0.008 0.000 0.217 212 A C 2.235 179.824 177.584 0.008 0.000 1.191 212 A CA 1.873 53.926 52.037 0.026 0.000 0.623 212 A CB -1.880 17.142 19.000 0.038 0.000 0.826 212 A HN 1.171 nan 8.150 nan 0.000 0.444 213 G N -0.635 108.165 108.800 0.001 0.000 2.480 213 G HA2 -0.054 3.911 3.960 0.008 0.000 0.216 213 G HA3 -0.054 3.911 3.960 0.008 0.000 0.216 213 G C 1.818 176.712 174.900 -0.009 0.000 1.200 213 G CA 1.906 47.001 45.100 -0.008 0.000 0.782 213 G HN 0.911 nan 8.290 nan 0.000 0.554 214 A N -0.278 122.538 122.820 -0.005 0.000 1.902 214 A HA 0.081 4.405 4.320 0.008 0.000 0.217 214 A C 2.624 180.203 177.584 -0.008 0.000 1.181 214 A CA 2.099 54.132 52.037 -0.007 0.000 0.623 214 A CB -0.581 18.415 19.000 -0.006 0.000 0.818 214 A HN 0.302 nan 8.150 nan 0.000 0.443 215 V N -0.432 119.479 119.914 -0.005 0.000 2.346 215 V HA -0.066 4.059 4.120 0.008 0.000 0.244 215 V C 2.833 178.923 176.094 -0.006 0.000 1.037 215 V CA 1.739 64.036 62.300 -0.006 0.000 1.029 215 V CB -1.451 30.372 31.823 -0.001 0.000 0.663 215 V HN 0.578 nan 8.190 nan 0.000 0.454 216 G N 0.303 109.101 108.800 -0.004 0.000 2.422 216 G HA2 -0.260 3.705 3.960 0.008 0.000 0.218 216 G HA3 -0.260 3.705 3.960 0.008 0.000 0.218 216 G C 1.406 176.292 174.900 -0.023 0.000 1.146 216 G CA 0.937 46.030 45.100 -0.012 0.000 0.769 216 G HN 0.503 nan 8.290 nan 0.000 0.547 217 N N 0.513 119.200 118.700 -0.023 0.000 2.166 217 N HA -0.074 4.671 4.740 0.008 0.000 0.186 217 N C 2.054 177.552 175.510 -0.020 0.000 1.019 217 N CA 1.342 54.377 53.050 -0.024 0.000 0.856 217 N CB -0.237 38.237 38.487 -0.021 0.000 0.993 217 N HN 0.418 nan 8.380 nan 0.000 0.426 218 E N 0.894 121.084 120.200 -0.016 0.000 2.072 218 E HA 0.023 4.378 4.350 0.008 0.000 0.190 218 E C 1.975 178.567 176.600 -0.014 0.000 0.982 218 E CA 0.650 57.041 56.400 -0.015 0.000 0.803 218 E CB -0.323 29.368 29.700 -0.015 0.000 0.755 218 E HN 0.270 nan 8.360 nan 0.000 0.453 219 L N 0.426 121.641 121.223 -0.012 0.000 2.013 219 L HA -0.218 4.127 4.340 0.008 0.000 0.212 219 L C 2.595 179.459 176.870 -0.009 0.000 1.073 219 L CA 2.037 56.873 54.840 -0.007 0.000 0.753 219 L CB -1.070 40.990 42.059 0.001 0.000 0.890 219 L HN 0.358 nan 8.230 nan 0.000 0.432 220 T N -4.505 110.039 114.554 -0.018 0.000 3.023 220 T HA -0.056 4.299 4.350 0.008 0.000 0.266 220 T C 1.804 176.492 174.700 -0.019 0.000 1.093 220 T CA 0.878 62.965 62.100 -0.023 0.000 1.129 220 T CB -0.117 68.729 68.868 -0.038 0.000 0.899 220 T HN 0.425 nan 8.240 nan 0.000 0.491 221 S N 0.379 116.068 115.700 -0.017 0.000 2.502 221 S HA 0.173 4.648 4.470 0.008 0.000 0.215 221 S C 0.816 175.409 174.600 -0.012 0.000 1.009 221 S CA -0.554 57.636 58.200 -0.015 0.000 0.908 221 S CB -0.517 62.674 63.200 -0.016 0.000 0.801 221 S HN 0.370 nan 8.310 nan 0.000 0.505 222 N N 3.820 122.514 118.700 -0.011 0.000 2.431 222 N HA 0.212 4.957 4.740 0.008 0.000 0.265 222 N C -1.894 173.612 175.510 -0.006 0.000 1.184 222 N CA -1.488 51.557 53.050 -0.008 0.000 0.943 222 N CB 1.503 39.985 38.487 -0.009 0.000 1.080 222 N HN 0.157 nan 8.380 nan 0.000 0.477 223 P HA -0.053 nan 4.420 nan 0.000 0.230 223 P C 1.468 178.768 177.300 0.001 0.000 1.158 223 P CA 0.606 63.705 63.100 -0.002 0.000 0.769 223 P CB 0.448 32.147 31.700 -0.002 0.000 0.807 224 L N -0.865 120.358 121.223 0.001 0.000 2.201 224 L HA -0.031 4.313 4.340 0.008 0.000 0.212 224 L C 0.913 177.788 176.870 0.009 0.000 1.105 224 L CA 0.599 55.442 54.840 0.005 0.000 0.775 224 L CB -0.500 41.560 42.059 0.002 0.000 0.913 224 L HN -0.207 nan 8.230 nan 0.000 0.440 225 V N 0.889 120.807 119.914 0.007 0.000 2.439 225 V HA 0.037 4.162 4.120 0.008 0.000 0.271 225 V C 1.158 177.258 176.094 0.011 0.000 1.040 225 V CA 0.232 62.539 62.300 0.012 0.000 1.002 225 V CB 0.952 32.780 31.823 0.008 0.000 1.000 225 V HN 0.312 nan 8.190 nan 0.000 0.477 226 R N 2.625 123.135 120.500 0.017 0.000 2.308 226 R HA 0.211 4.556 4.340 0.008 0.000 0.202 226 R C 0.324 176.622 176.300 -0.003 0.000 0.898 226 R CA -0.081 56.025 56.100 0.010 0.000 1.046 226 R CB 0.516 30.827 30.300 0.018 0.000 1.026 226 R HN 0.570 nan 8.270 nan 0.000 0.512 227 K N 0.896 121.295 120.400 -0.001 0.000 2.535 227 K HA 0.295 4.620 4.320 0.008 0.000 0.251 227 K C -2.073 174.521 176.600 -0.010 0.000 0.942 227 K CA -0.692 55.575 56.287 -0.033 0.000 0.798 227 K CB 1.628 34.088 32.500 -0.067 0.000 1.267 227 K HN -0.070 nan 8.250 nan 0.000 0.434 228 L N 2.366 123.577 121.223 -0.021 0.000 2.362 228 L HA 0.710 5.055 4.340 0.008 0.000 0.275 228 L C -1.296 175.590 176.870 0.027 0.000 0.998 228 L CA 0.020 54.873 54.840 0.021 0.000 0.820 228 L CB 2.268 44.341 42.059 0.023 0.000 1.270 228 L HN 0.673 nan 8.230 nan 0.000 0.415 229 S N 4.431 120.182 115.700 0.086 0.000 2.519 229 S HA 0.724 5.199 4.470 0.008 0.000 0.309 229 S C -1.324 173.393 174.600 0.194 0.000 1.100 229 S CA -0.422 57.845 58.200 0.113 0.000 1.059 229 S CB 0.581 63.863 63.200 0.137 0.000 1.008 229 S HN 0.520 nan 8.310 nan 0.000 0.478 230 F N 3.361 123.321 119.950 0.016 0.000 2.556 230 F HA 0.658 5.190 4.527 0.008 0.000 0.314 230 F C -0.706 175.099 175.800 0.008 0.000 1.106 230 F CA -0.187 57.820 58.000 0.013 0.000 0.911 230 F CB 2.088 41.092 39.000 0.007 0.000 1.190 230 F HN 0.444 nan 8.300 nan 0.000 0.448 231 T N 4.467 118.471 114.554 -0.916 0.000 2.812 231 T HA 0.818 5.173 4.350 0.008 0.000 0.282 231 T C -0.153 173.762 174.700 -1.309 0.000 0.990 231 T CA -0.187 61.409 62.100 -0.840 0.000 0.960 231 T CB 1.212 69.850 68.868 -0.384 0.000 0.948 231 T HN 1.145 nan 8.240 nan 0.000 0.438 232 G N 1.806 110.042 108.800 -0.940 0.000 2.404 232 G HA2 0.421 4.386 3.960 0.008 0.000 0.253 232 G HA3 0.421 4.386 3.960 0.008 0.000 0.253 232 G C -0.580 174.278 174.900 -0.070 0.000 1.253 232 G CA -0.278 44.521 45.100 -0.502 0.000 0.917 232 G HN 0.954 nan 8.290 nan 0.000 0.480 233 S N -0.451 115.323 115.700 0.122 0.000 2.585 233 S HA 0.432 4.907 4.470 0.008 0.000 0.273 233 S C 1.435 176.154 174.600 0.198 0.000 1.339 233 S CA 1.088 59.339 58.200 0.085 0.000 1.028 233 S CB 1.250 64.490 63.200 0.067 0.000 0.906 233 S HN 0.928 nan 8.310 nan 0.000 0.528 234 T N 1.368 116.009 114.554 0.145 0.000 2.720 234 T HA -0.128 4.227 4.350 0.008 0.000 0.268 234 T C 1.667 176.440 174.700 0.122 0.000 1.037 234 T CA 1.840 64.045 62.100 0.175 0.000 1.144 234 T CB -0.533 68.486 68.868 0.252 0.000 0.864 234 T HN 0.799 nan 8.240 nan 0.000 0.444 235 E N 0.991 121.248 120.200 0.095 0.000 2.077 235 E HA -0.086 4.269 4.350 0.008 0.000 0.193 235 E C 1.975 178.574 176.600 -0.002 0.000 0.989 235 E CA 0.827 57.256 56.400 0.047 0.000 0.800 235 E CB -0.429 29.298 29.700 0.045 0.000 0.746 235 E HN 0.319 nan 8.360 nan 0.000 0.452 236 I N 0.206 120.772 120.570 -0.006 0.000 2.353 236 I HA -0.054 4.121 4.170 0.008 0.000 0.248 236 I C 2.302 178.207 176.117 -0.354 0.000 1.119 236 I CA 1.290 62.492 61.300 -0.163 0.000 1.417 236 I CB -1.713 36.206 38.000 -0.135 0.000 1.078 236 I HN 0.227 nan 8.210 nan 0.000 0.421 237 G N 1.157 109.848 108.800 -0.181 0.000 2.476 237 G HA2 -0.279 3.686 3.960 0.008 0.000 0.218 237 G HA3 -0.279 3.686 3.960 0.008 0.000 0.218 237 G C 1.904 176.753 174.900 -0.087 0.000 1.164 237 G CA 0.591 45.629 45.100 -0.103 0.000 0.768 237 G HN 0.314 nan 8.290 nan 0.000 0.560 238 R N -0.008 120.468 120.500 -0.039 0.000 2.080 238 R HA -0.101 4.244 4.340 0.008 0.000 0.236 238 R C 2.911 179.172 176.300 -0.065 0.000 1.137 238 R CA 1.779 57.859 56.100 -0.033 0.000 0.943 238 R CB -0.447 29.846 30.300 -0.011 0.000 0.846 238 R HN 0.481 nan 8.270 nan 0.000 0.431 239 Q N 0.445 120.191 119.800 -0.090 0.000 2.084 239 Q HA -0.135 4.210 4.340 0.008 0.000 0.202 239 Q C 2.288 178.216 176.000 -0.121 0.000 0.978 239 Q CA 1.258 57.003 55.803 -0.096 0.000 0.844 239 Q CB -0.134 28.545 28.738 -0.099 0.000 0.898 239 Q HN 0.363 nan 8.270 nan 0.000 0.426 240 L N -0.012 121.096 121.223 -0.192 0.000 2.093 240 L HA -0.168 4.177 4.340 0.008 0.000 0.208 240 L C 2.564 179.367 176.870 -0.112 0.000 1.085 240 L CA 0.903 55.628 54.840 -0.193 0.000 0.755 240 L CB -0.313 41.542 42.059 -0.341 0.000 0.904 240 L HN 0.351 nan 8.230 nan 0.000 0.435 241 M N -0.059 119.487 119.600 -0.090 0.000 2.117 241 M HA -0.237 4.248 4.480 0.008 0.000 0.262 241 M C 2.096 178.371 176.300 -0.042 0.000 1.065 241 M CA 1.792 57.063 55.300 -0.048 0.000 1.114 241 M CB -0.009 32.574 32.600 -0.028 0.000 1.361 241 M HN 0.162 nan 8.290 nan 0.000 0.408 242 E N -0.075 120.098 120.200 -0.045 0.000 2.070 242 E HA -0.289 4.066 4.350 0.008 0.000 0.197 242 E C 2.025 178.603 176.600 -0.036 0.000 1.004 242 E CA 1.964 58.342 56.400 -0.037 0.000 0.805 242 E CB -0.188 29.490 29.700 -0.037 0.000 0.744 242 E HN 0.652 nan 8.360 nan 0.000 0.451 243 Q N -0.477 119.295 119.800 -0.046 0.000 2.170 243 Q HA -0.133 4.211 4.340 0.008 0.000 0.203 243 Q C 2.154 178.134 176.000 -0.034 0.000 0.976 243 Q CA 1.121 56.899 55.803 -0.042 0.000 0.858 243 Q CB -0.033 28.674 28.738 -0.052 0.000 0.907 243 Q HN 0.337 nan 8.270 nan 0.000 0.433 244 C N 0.008 119.286 119.300 -0.036 0.000 2.472 244 C HA 0.077 4.541 4.460 0.008 0.000 0.278 244 C C 2.602 177.579 174.990 -0.021 0.000 1.447 244 C CA 0.252 59.254 59.018 -0.027 0.000 1.773 244 C CB -1.124 26.599 27.740 -0.027 0.000 1.793 244 C HN 0.564 nan 8.230 nan 0.000 0.544 245 A N 0.915 123.722 122.820 -0.021 0.000 1.972 245 A HA -0.225 4.100 4.320 0.008 0.000 0.219 245 A C 2.247 179.822 177.584 -0.014 0.000 1.169 245 A CA 1.854 53.881 52.037 -0.017 0.000 0.635 245 A CB -0.507 18.483 19.000 -0.017 0.000 0.810 245 A HN 0.687 nan 8.150 nan 0.000 0.446 246 K N -0.322 120.069 120.400 -0.015 0.000 2.032 246 K HA -0.205 4.120 4.320 0.008 0.000 0.209 246 K C 0.471 177.065 176.600 -0.010 0.000 1.048 246 K CA 1.875 58.154 56.287 -0.012 0.000 0.927 246 K CB -0.160 32.332 32.500 -0.013 0.000 0.712 246 K HN 0.413 nan 8.250 nan 0.000 0.441 247 D N 0.519 120.913 120.400 -0.010 0.000 2.349 247 D HA 0.051 4.696 4.640 0.008 0.000 0.214 247 D C 0.258 176.554 176.300 -0.007 0.000 1.063 247 D CA 0.109 54.105 54.000 -0.007 0.000 0.847 247 D CB 0.398 41.194 40.800 -0.007 0.000 0.933 247 D HN 0.210 nan 8.370 nan 0.000 0.513 248 I N 1.057 121.622 120.570 -0.009 0.000 6.532 248 I HA -0.329 3.846 4.170 0.008 0.000 0.126 248 I C 0.258 176.370 176.117 -0.009 0.000 1.811 248 I CA 0.637 61.932 61.300 -0.008 0.000 2.115 248 I CB -2.272 35.725 38.000 -0.005 0.000 3.474 248 I HN 0.055 nan 8.210 nan 0.000 0.192 249 K N 1.519 121.912 120.400 -0.012 0.000 2.414 249 K HA 0.115 4.439 4.320 0.008 0.000 0.272 249 K C 0.733 177.321 176.600 -0.021 0.000 0.993 249 K CA -0.269 56.009 56.287 -0.015 0.000 0.964 249 K CB 0.926 33.417 32.500 -0.016 0.000 0.925 249 K HN 0.193 nan 8.250 nan 0.000 0.487 250 K N 1.977 122.359 120.400 -0.030 0.000 2.379 250 K HA 0.100 4.424 4.320 0.008 0.000 0.284 250 K C -0.958 175.608 176.600 -0.057 0.000 1.044 250 K CA -0.246 56.014 56.287 -0.046 0.000 0.974 250 K CB 0.573 33.034 32.500 -0.064 0.000 0.962 250 K HN 0.242 nan 8.250 nan 0.000 0.474 251 V N 3.138 123.026 119.914 -0.044 0.000 2.487 251 V HA 0.263 4.388 4.120 0.008 0.000 0.298 251 V C -0.555 175.523 176.094 -0.027 0.000 1.028 251 V CA -0.838 61.445 62.300 -0.030 0.000 0.860 251 V CB 1.844 33.662 31.823 -0.008 0.000 0.991 251 V HN 0.746 nan 8.190 nan 0.000 0.427 252 S N 5.518 121.204 115.700 -0.024 0.000 2.475 252 S HA 0.831 5.305 4.470 0.008 0.000 0.298 252 S C -0.646 173.997 174.600 0.073 0.000 1.119 252 S CA -0.512 57.691 58.200 0.005 0.000 1.085 252 S CB 1.056 64.239 63.200 -0.028 0.000 1.028 252 S HN 0.532 nan 8.310 nan 0.000 0.489 253 L N 2.776 124.050 121.223 0.085 0.000 2.436 253 L HA 0.542 4.887 4.340 0.008 0.000 0.268 253 L C -0.669 176.255 176.870 0.089 0.000 0.974 253 L CA -0.570 54.352 54.840 0.137 0.000 0.826 253 L CB 1.997 44.150 42.059 0.157 0.000 1.291 253 L HN 0.482 nan 8.230 nan 0.000 0.406 254 E N 4.058 124.287 120.200 0.049 0.000 2.186 254 E HA 0.495 4.850 4.350 0.008 0.000 0.255 254 E C -1.003 175.593 176.600 -0.008 0.000 0.881 254 E CA -0.616 55.794 56.400 0.017 0.000 0.752 254 E CB 2.796 32.485 29.700 -0.019 0.000 1.176 254 E HN 0.233 nan 8.360 nan 0.000 0.421 255 L N 0.366 121.617 121.223 0.047 0.000 2.755 255 L HA 0.509 4.854 4.340 0.008 0.000 0.243 255 L C 1.173 178.038 176.870 -0.009 0.000 1.579 255 L CA -0.535 54.338 54.840 0.055 0.000 1.669 255 L CB -0.381 41.764 42.059 0.142 0.000 2.294 255 L HN 0.577 nan 8.230 nan 0.000 0.588 256 G N -1.186 107.589 108.800 -0.042 0.000 2.562 256 G HA2 0.424 4.389 3.960 0.008 0.000 0.233 256 G HA3 0.424 4.389 3.960 0.008 0.000 0.233 256 G C -0.240 174.394 174.900 -0.443 0.000 1.266 256 G CA 0.448 45.372 45.100 -0.294 0.000 0.852 256 G HN 0.802 nan 8.290 nan 0.000 0.581 257 G N -0.583 107.916 108.800 -0.502 0.000 2.642 257 G HA2 0.455 4.420 3.960 0.008 0.000 0.293 257 G HA3 0.455 4.420 3.960 0.008 0.000 0.293 257 G C -1.075 173.629 174.900 -0.327 0.000 1.341 257 G CA -0.733 44.167 45.100 -0.332 0.000 0.916 257 G HN 0.742 nan 8.290 nan 0.000 0.474 258 N N -0.368 118.339 118.700 0.012 0.000 2.725 258 N HA 0.462 5.207 4.740 0.008 0.000 0.248 258 N C -0.149 175.527 175.510 0.276 0.000 1.402 258 N CA -0.278 52.882 53.050 0.184 0.000 0.766 258 N CB 0.981 39.687 38.487 0.366 0.000 1.223 258 N HN 0.721 nan 8.380 nan 0.000 0.515 259 A N 2.911 125.862 122.820 0.219 0.000 2.451 259 A HA 0.453 4.778 4.320 0.008 0.000 0.266 259 A C -2.244 175.473 177.584 0.221 0.000 1.119 259 A CA -0.879 51.271 52.037 0.188 0.000 0.786 259 A CB -0.105 19.058 19.000 0.272 0.000 1.061 259 A HN 0.473 nan 8.150 nan 0.000 0.503 260 P HA 0.326 nan 4.420 nan 0.000 0.284 260 P C -1.036 176.467 177.300 0.338 0.000 1.253 260 P CA -0.044 63.217 63.100 0.268 0.000 0.800 260 P CB 0.675 32.451 31.700 0.128 0.000 0.961 261 F N 4.142 124.260 119.950 0.280 0.000 2.500 261 F HA 0.504 5.036 4.527 0.007 0.000 0.349 261 F C -0.752 175.188 175.800 0.234 0.000 1.127 261 F CA -0.915 57.248 58.000 0.272 0.000 0.998 261 F CB 0.677 39.778 39.000 0.167 0.000 1.237 261 F HN 0.098 nan 8.300 nan 0.000 0.439 262 I N 7.086 127.713 120.570 0.095 0.000 2.362 262 I HA 0.399 4.574 4.170 0.008 0.000 0.289 262 I C -0.992 175.156 176.117 0.051 0.000 0.994 262 I CA -1.097 60.235 61.300 0.054 0.000 1.158 262 I CB 1.683 39.579 38.000 -0.173 0.000 1.315 262 I HN 0.195 nan 8.210 nan 0.000 0.451 263 V N 6.871 126.815 119.914 0.051 0.000 2.334 263 V HA 0.389 4.513 4.120 0.008 0.000 0.281 263 V C -0.174 175.953 176.094 0.055 0.000 1.016 263 V CA -0.479 61.856 62.300 0.058 0.000 0.832 263 V CB 0.923 32.623 31.823 -0.205 0.000 0.999 263 V HN 0.399 nan 8.190 nan 0.000 0.439 264 F N 2.415 122.543 119.950 0.297 0.000 2.370 264 F HA 0.272 4.804 4.527 0.009 0.000 0.319 264 F C 1.677 177.554 175.800 0.129 0.000 1.129 264 F CA -0.311 57.843 58.000 0.256 0.000 1.109 264 F CB 0.827 39.990 39.000 0.272 0.000 1.262 264 F HN 0.721 nan 8.300 nan 0.000 0.534 265 D N -0.674 119.893 120.400 0.278 0.000 2.203 265 D HA -0.262 4.383 4.640 0.008 0.000 0.199 265 D C 0.915 177.317 176.300 0.170 0.000 0.997 265 D CA 1.811 55.906 54.000 0.158 0.000 0.863 265 D CB -0.520 40.349 40.800 0.114 0.000 0.928 265 D HN 0.559 nan 8.370 nan 0.000 0.458 266 D N 0.064 120.592 120.400 0.214 0.000 2.342 266 D HA 0.187 4.832 4.640 0.008 0.000 0.221 266 D C 0.419 176.834 176.300 0.191 0.000 1.101 266 D CA -0.292 53.808 54.000 0.167 0.000 0.837 266 D CB -0.370 40.507 40.800 0.128 0.000 0.938 266 D HN 0.358 nan 8.370 nan 0.000 0.508 267 A N 0.561 123.528 122.820 0.246 0.000 2.386 267 A HA 0.161 4.486 4.320 0.008 0.000 0.248 267 A C 0.250 177.962 177.584 0.213 0.000 1.082 267 A CA -0.396 51.805 52.037 0.274 0.000 0.789 267 A CB 0.329 19.531 19.000 0.336 0.000 1.025 267 A HN 0.114 nan 8.150 nan 0.000 0.490 268 D N 1.990 122.526 120.400 0.225 0.000 2.348 268 D HA 0.114 4.759 4.640 0.008 0.000 0.259 268 D C 1.042 177.444 176.300 0.169 0.000 1.296 268 D CA 0.105 54.212 54.000 0.178 0.000 0.931 268 D CB 0.294 41.199 40.800 0.174 0.000 1.067 268 D HN 0.472 nan 8.370 nan 0.000 0.503 269 L N 3.017 124.326 121.223 0.143 0.000 2.083 269 L HA -0.161 4.184 4.340 0.008 0.000 0.209 269 L C 1.703 178.627 176.870 0.089 0.000 1.083 269 L CA 0.845 55.777 54.840 0.154 0.000 0.752 269 L CB -0.113 42.037 42.059 0.152 0.000 0.899 269 L HN 0.365 nan 8.230 nan 0.000 0.433 270 D N 0.253 120.686 120.400 0.055 0.000 2.117 270 D HA -0.164 4.481 4.640 0.008 0.000 0.197 270 D C 2.172 178.486 176.300 0.023 0.000 0.987 270 D CA 1.174 55.183 54.000 0.016 0.000 0.829 270 D CB -0.003 40.809 40.800 0.020 0.000 0.961 270 D HN 0.289 nan 8.370 nan 0.000 0.460 271 K N 0.685 121.128 120.400 0.072 0.000 2.057 271 K HA -0.031 4.294 4.320 0.008 0.000 0.206 271 K C 2.174 178.762 176.600 -0.020 0.000 1.050 271 K CA 0.997 57.357 56.287 0.121 0.000 0.935 271 K CB -0.046 32.602 32.500 0.247 0.000 0.715 271 K HN 0.003 nan 8.250 nan 0.000 0.439 272 A N 1.111 123.793 122.820 -0.230 0.000 1.883 272 A HA -0.143 4.182 4.320 0.008 0.000 0.217 272 A C 2.381 179.929 177.584 -0.060 0.000 1.186 272 A CA 1.531 53.192 52.037 -0.627 0.000 0.624 272 A CB -0.747 18.134 19.000 -0.199 0.000 0.822 272 A HN 0.069 nan 8.150 nan 0.000 0.444 273 V N -0.083 119.824 119.914 -0.012 0.000 2.295 273 V HA -0.288 3.837 4.120 0.008 0.000 0.246 273 V C 2.471 178.497 176.094 -0.113 0.000 1.049 273 V CA 2.333 64.523 62.300 -0.183 0.000 1.024 273 V CB -0.825 30.804 31.823 -0.324 0.000 0.648 273 V HN 0.639 nan 8.190 nan 0.000 0.447 274 E N 0.056 120.226 120.200 -0.050 0.000 2.070 274 E HA -0.222 4.133 4.350 0.008 0.000 0.197 274 E C 2.305 178.924 176.600 0.032 0.000 1.004 274 E CA 1.457 57.855 56.400 -0.003 0.000 0.805 274 E CB -0.517 29.204 29.700 0.035 0.000 0.744 274 E HN 0.646 nan 8.360 nan 0.000 0.451 275 G N 0.638 109.499 108.800 0.102 0.000 2.422 275 G HA2 -0.252 3.713 3.960 0.008 0.000 0.218 275 G HA3 -0.252 3.713 3.960 0.008 0.000 0.218 275 G C 1.617 176.560 174.900 0.071 0.000 1.146 275 G CA 0.934 46.180 45.100 0.242 0.000 0.769 275 G HN 0.369 nan 8.290 nan 0.000 0.547 276 A N 0.197 122.904 122.820 -0.189 0.000 1.898 276 A HA 0.133 4.458 4.320 0.008 0.000 0.216 276 A C 2.347 179.733 177.584 -0.330 0.000 1.181 276 A CA 1.464 53.075 52.037 -0.710 0.000 0.620 276 A CB -0.402 18.218 19.000 -0.634 0.000 0.819 276 A HN 0.347 nan 8.150 nan 0.000 0.442 277 L N -0.318 120.839 121.223 -0.110 0.000 2.017 277 L HA -0.085 4.260 4.340 0.008 0.000 0.208 277 L C 2.816 179.733 176.870 0.078 0.000 1.073 277 L CA 2.028 56.917 54.840 0.081 0.000 0.745 277 L CB -0.587 41.494 42.059 0.037 0.000 0.894 277 L HN 0.358 nan 8.230 nan 0.000 0.432 278 A N -2.148 120.677 122.820 0.008 0.000 1.933 278 A HA -0.207 4.117 4.320 0.008 0.000 0.218 278 A C 2.527 180.087 177.584 -0.039 0.000 1.175 278 A CA 1.935 53.979 52.037 0.012 0.000 0.628 278 A CB -0.885 18.131 19.000 0.026 0.000 0.814 278 A HN 0.478 nan 8.150 nan 0.000 0.444 279 S N -0.881 114.741 115.700 -0.130 0.000 2.377 279 S HA -0.105 4.370 4.470 0.008 0.000 0.223 279 S C 2.098 176.556 174.600 -0.237 0.000 1.030 279 S CA 1.766 59.839 58.200 -0.212 0.000 0.970 279 S CB -0.177 62.783 63.200 -0.401 0.000 0.830 279 S HN 0.531 nan 8.310 nan 0.000 0.473 280 K N 0.207 120.390 120.400 -0.362 0.000 2.044 280 K HA 0.158 4.483 4.320 0.008 0.000 0.204 280 K C 1.025 177.276 176.600 -0.583 0.000 1.049 280 K CA 1.493 57.432 56.287 -0.579 0.000 0.945 280 K CB -0.451 31.486 32.500 -0.937 0.000 0.724 280 K HN 0.419 nan 8.250 nan 0.000 0.440 281 F N 1.029 120.931 119.950 -0.081 0.000 2.727 281 F HA 0.321 4.853 4.527 0.008 0.000 0.302 281 F C 0.530 176.303 175.800 -0.045 0.000 1.097 281 F CA -0.439 57.528 58.000 -0.055 0.000 1.330 281 F CB -0.037 38.933 39.000 -0.050 0.000 1.084 281 F HN -0.101 nan 8.300 nan 0.000 0.578 282 R N 1.765 122.302 120.500 0.062 0.000 2.522 282 R HA -0.064 4.281 4.340 0.008 0.000 0.284 282 R C 0.644 176.948 176.300 0.006 0.000 1.032 282 R CA 0.256 56.383 56.100 0.044 0.000 1.049 282 R CB -0.014 30.312 30.300 0.044 0.000 0.956 282 R HN 0.191 nan 8.270 nan 0.000 0.422 283 N N 2.838 121.529 118.700 -0.016 0.000 2.721 283 N HA -0.285 4.460 4.740 0.008 0.000 0.249 283 N C -0.263 175.212 175.510 -0.058 0.000 1.072 283 N CA 1.355 54.350 53.050 -0.092 0.000 0.710 283 N CB -1.094 37.246 38.487 -0.244 0.000 0.993 283 N HN 0.942 nan 8.380 nan 0.000 0.547 284 A N -1.854 120.976 122.820 0.017 0.000 2.799 284 A HA 0.041 4.366 4.320 0.008 0.000 0.287 284 A C 2.113 179.709 177.584 0.020 0.000 1.484 284 A CA 1.907 53.986 52.037 0.070 0.000 0.813 284 A CB -1.871 17.162 19.000 0.055 0.000 1.009 284 A HN 2.190 nan 8.150 nan 0.000 0.545 285 G N -2.482 106.281 108.800 -0.062 0.000 2.159 285 G HA2 -0.276 3.689 3.960 0.008 0.000 0.256 285 G HA3 -0.276 3.689 3.960 0.008 0.000 0.256 285 G C 0.092 174.805 174.900 -0.312 0.000 0.977 285 G CA 0.760 45.760 45.100 -0.166 0.000 0.652 285 G HN 1.421 nan 8.290 nan 0.000 0.531 286 Q N 0.889 120.463 119.800 -0.377 0.000 3.041 286 Q HA 0.418 4.763 4.340 0.008 0.000 0.372 286 Q C -0.143 175.191 176.000 -1.109 0.000 1.241 286 Q CA 0.193 55.509 55.803 -0.813 0.000 1.010 286 Q CB 0.542 29.180 28.738 -0.166 0.000 1.467 286 Q HN 0.252 nan 8.270 nan 0.000 0.462 287 T N -0.503 113.470 114.554 -0.968 0.000 2.893 287 T HA 0.116 4.471 4.350 0.008 0.000 0.293 287 T C 0.932 175.525 174.700 -0.178 0.000 1.027 287 T CA -0.706 61.208 62.100 -0.309 0.000 0.988 287 T CB 1.124 69.989 68.868 -0.006 0.000 1.043 287 T HN 0.629 nan 8.240 nan 0.000 0.461 288 C N 1.876 121.261 119.300 0.142 0.000 2.472 288 C HA 0.137 4.601 4.460 0.008 0.000 0.278 288 C C 1.845 176.931 174.990 0.159 0.000 1.447 288 C CA 0.559 59.732 59.018 0.258 0.000 1.773 288 C CB -1.817 26.041 27.740 0.196 0.000 1.793 288 C HN 0.706 nan 8.230 nan 0.000 0.544 289 V N -2.910 117.088 119.914 0.139 0.000 3.477 289 V HA 0.344 4.468 4.120 0.008 0.000 0.297 289 V C 0.877 177.129 176.094 0.263 0.000 1.433 289 V CA -0.591 61.830 62.300 0.202 0.000 1.052 289 V CB -1.965 29.991 31.823 0.221 0.000 0.895 289 V HN 0.520 nan 8.190 nan 0.000 0.438 290 C N 3.195 122.570 119.300 0.125 0.000 2.611 290 C HA 0.528 4.993 4.460 0.008 0.000 0.416 290 C C 1.560 176.610 174.990 0.100 0.000 1.366 290 C CA 0.353 59.397 59.018 0.042 0.000 1.761 290 C CB -0.367 27.323 27.740 -0.084 0.000 2.619 290 C HN 0.815 nan 8.230 nan 0.000 0.606 291 A N 3.670 126.502 122.820 0.021 0.000 2.566 291 A HA 0.045 4.370 4.320 0.008 0.000 0.245 291 A C 0.889 178.487 177.584 0.023 0.000 1.056 291 A CA 0.401 52.483 52.037 0.075 0.000 0.757 291 A CB -0.145 18.786 19.000 -0.115 0.000 0.979 291 A HN 1.010 nan 8.150 nan 0.000 0.508 292 N N 0.989 119.762 118.700 0.121 0.000 2.317 292 N HA 0.118 4.863 4.740 0.008 0.000 0.199 292 N C 0.043 175.640 175.510 0.145 0.000 1.145 292 N CA 0.112 53.229 53.050 0.111 0.000 0.882 292 N CB 0.368 38.947 38.487 0.154 0.000 1.113 292 N HN 0.687 nan 8.380 nan 0.000 0.486 293 R N 0.608 121.222 120.500 0.190 0.000 2.514 293 R HA 0.359 4.704 4.340 0.008 0.000 0.296 293 R C -1.706 174.688 176.300 0.157 0.000 1.012 293 R CA -0.724 55.496 56.100 0.201 0.000 0.897 293 R CB 1.700 32.123 30.300 0.205 0.000 1.184 293 R HN -0.010 nan 8.270 nan 0.000 0.440 294 L N 4.495 125.774 121.223 0.094 0.000 2.264 294 L HA 0.362 4.707 4.340 0.008 0.000 0.287 294 L C -0.980 175.948 176.870 0.097 0.000 1.039 294 L CA -0.239 54.677 54.840 0.127 0.000 0.829 294 L CB 0.337 42.433 42.059 0.063 0.000 1.211 294 L HN 0.474 nan 8.230 nan 0.000 0.427 295 Y N 2.937 123.414 120.300 0.295 0.000 2.367 295 Y HA 0.561 5.115 4.550 0.007 0.000 0.342 295 Y C 0.031 176.115 175.900 0.307 0.000 0.979 295 Y CA -0.745 57.543 58.100 0.313 0.000 1.161 295 Y CB 1.252 39.743 38.460 0.052 0.000 1.155 295 Y HN 0.188 nan 8.280 nan 0.000 0.503 296 V N 3.890 124.062 119.914 0.431 0.000 2.487 296 V HA 0.272 4.396 4.120 0.008 0.000 0.298 296 V C -0.217 175.814 176.094 -0.104 0.000 1.028 296 V CA -1.327 61.035 62.300 0.103 0.000 0.860 296 V CB 1.592 33.320 31.823 -0.158 0.000 0.991 296 V HN 0.682 nan 8.190 nan 0.000 0.427 297 Q N 1.675 121.115 119.800 -0.601 0.000 2.364 297 Q HA 0.001 4.346 4.340 0.008 0.000 0.267 297 Q C 1.092 176.881 176.000 -0.352 0.000 0.999 297 Q CA 0.293 55.471 55.803 -1.041 0.000 0.886 297 Q CB 0.821 29.035 28.738 -0.874 0.000 1.243 297 Q HN 0.882 nan 8.270 nan 0.000 0.415 298 D N 2.551 122.763 120.400 -0.313 0.000 2.157 298 D HA -0.220 4.425 4.640 0.008 0.000 0.191 298 D C 1.489 177.774 176.300 -0.024 0.000 1.004 298 D CA 2.176 56.107 54.000 -0.116 0.000 0.854 298 D CB -0.323 40.416 40.800 -0.103 0.000 0.936 298 D HN 0.768 nan 8.370 nan 0.000 0.446 299 G N -0.648 108.129 108.800 -0.038 0.000 2.448 299 G HA2 -0.158 3.807 3.960 0.008 0.000 0.219 299 G HA3 -0.158 3.807 3.960 0.008 0.000 0.219 299 G C 1.439 176.367 174.900 0.048 0.000 1.127 299 G CA 1.481 46.588 45.100 0.012 0.000 0.766 299 G HN 0.545 nan 8.290 nan 0.000 0.552 300 V N -3.792 116.154 119.914 0.054 0.000 3.432 300 V HA 0.373 4.498 4.120 0.008 0.000 0.298 300 V C 1.755 177.929 176.094 0.134 0.000 1.464 300 V CA -0.179 62.176 62.300 0.091 0.000 1.046 300 V CB -0.740 31.136 31.823 0.088 0.000 0.887 300 V HN 0.205 nan 8.190 nan 0.000 0.441 301 Y N 2.552 122.861 120.300 0.015 0.000 2.069 301 Y HA -0.256 4.300 4.550 0.009 0.000 0.278 301 Y C 2.231 178.195 175.900 0.107 0.000 1.175 301 Y CA 2.681 60.810 58.100 0.048 0.000 1.134 301 Y CB -0.084 38.381 38.460 0.008 0.000 0.965 301 Y HN 0.307 nan 8.280 nan 0.000 0.498 302 D N -0.447 120.093 120.400 0.234 0.000 2.097 302 D HA -0.141 4.504 4.640 0.008 0.000 0.197 302 D C 2.318 178.648 176.300 0.049 0.000 0.984 302 D CA 1.343 55.429 54.000 0.143 0.000 0.826 302 D CB -0.339 40.553 40.800 0.152 0.000 0.973 302 D HN 0.402 nan 8.370 nan 0.000 0.460 303 R N -0.322 120.220 120.500 0.069 0.000 2.081 303 R HA -0.106 4.239 4.340 0.008 0.000 0.235 303 R C 2.329 178.648 176.300 0.032 0.000 1.131 303 R CA 0.678 56.806 56.100 0.046 0.000 0.960 303 R CB -0.466 29.873 30.300 0.064 0.000 0.856 303 R HN 0.199 nan 8.270 nan 0.000 0.436 304 F N 1.309 121.209 119.950 -0.084 0.000 2.134 304 F HA -0.161 4.371 4.527 0.008 0.000 0.299 304 F C 2.291 177.996 175.800 -0.158 0.000 1.097 304 F CA 1.439 59.373 58.000 -0.110 0.000 1.264 304 F CB -0.255 38.680 39.000 -0.110 0.000 1.001 304 F HN -0.025 nan 8.300 nan 0.000 0.479 305 A N -0.166 122.602 122.820 -0.087 0.000 1.902 305 A HA -0.200 4.125 4.320 0.008 0.000 0.217 305 A C 2.049 179.525 177.584 -0.181 0.000 1.181 305 A CA 1.892 53.820 52.037 -0.183 0.000 0.623 305 A CB -1.316 17.540 19.000 -0.241 0.000 0.818 305 A HN 0.409 nan 8.150 nan 0.000 0.443 306 E N -0.115 120.008 120.200 -0.129 0.000 2.051 306 E HA -0.183 4.172 4.350 0.008 0.000 0.192 306 E C 2.154 178.663 176.600 -0.151 0.000 0.991 306 E CA 1.820 58.156 56.400 -0.106 0.000 0.799 306 E CB -0.370 29.294 29.700 -0.060 0.000 0.748 306 E HN 0.755 nan 8.360 nan 0.000 0.449 307 K N -0.436 119.843 120.400 -0.202 0.000 2.057 307 K HA -0.047 4.277 4.320 0.008 0.000 0.206 307 K C 2.301 178.719 176.600 -0.304 0.000 1.050 307 K CA 1.258 57.407 56.287 -0.230 0.000 0.935 307 K CB -0.354 32.004 32.500 -0.237 0.000 0.715 307 K HN 0.180 nan 8.250 nan 0.000 0.439 308 L N 1.704 122.651 121.223 -0.461 0.000 2.046 308 L HA -0.205 4.140 4.340 0.008 0.000 0.208 308 L C 2.341 179.069 176.870 -0.238 0.000 1.077 308 L CA 1.743 56.324 54.840 -0.433 0.000 0.747 308 L CB -0.411 41.312 42.059 -0.560 0.000 0.896 308 L HN 0.189 nan 8.230 nan 0.000 0.432 309 Q N -1.454 118.230 119.800 -0.194 0.000 2.119 309 Q HA -0.231 4.114 4.340 0.008 0.000 0.201 309 Q C 2.212 178.138 176.000 -0.123 0.000 0.972 309 Q CA 1.909 57.633 55.803 -0.132 0.000 0.847 309 Q CB 0.074 28.750 28.738 -0.103 0.000 0.903 309 Q HN 0.595 nan 8.270 nan 0.000 0.433 310 Q N -0.646 119.079 119.800 -0.126 0.000 2.061 310 Q HA -0.172 4.173 4.340 0.008 0.000 0.204 310 Q C 2.134 178.066 176.000 -0.113 0.000 0.984 310 Q CA 1.358 57.097 55.803 -0.107 0.000 0.846 310 Q CB -0.718 27.961 28.738 -0.098 0.000 0.902 310 Q HN 0.672 nan 8.270 nan 0.000 0.421 311 A N -0.216 122.523 122.820 -0.135 0.000 1.969 311 A HA -0.073 4.252 4.320 0.008 0.000 0.218 311 A C 2.130 179.628 177.584 -0.143 0.000 1.169 311 A CA 1.666 53.626 52.037 -0.129 0.000 0.635 311 A CB -0.457 18.458 19.000 -0.142 0.000 0.810 311 A HN 0.523 nan 8.150 nan 0.000 0.445 312 M N 0.202 119.703 119.600 -0.166 0.000 2.288 312 M HA -0.106 4.378 4.480 0.008 0.000 0.266 312 M C 2.351 178.535 176.300 -0.193 0.000 1.072 312 M CA 1.432 56.596 55.300 -0.226 0.000 1.132 312 M CB -0.209 32.251 32.600 -0.233 0.000 1.386 312 M HN 0.620 nan 8.290 nan 0.000 0.432 313 S N 0.373 115.989 115.700 -0.139 0.000 2.465 313 S HA -0.130 4.345 4.470 0.008 0.000 0.241 313 S C 1.570 176.109 174.600 -0.101 0.000 1.000 313 S CA 0.953 59.087 58.200 -0.109 0.000 0.964 313 S CB -0.484 62.664 63.200 -0.087 0.000 0.763 313 S HN 0.480 nan 8.310 nan 0.000 0.512 314 K N 0.603 120.938 120.400 -0.107 0.000 2.365 314 K HA 0.245 4.570 4.320 0.008 0.000 0.197 314 K C 0.209 176.749 176.600 -0.100 0.000 1.042 314 K CA -0.012 56.220 56.287 -0.091 0.000 0.987 314 K CB -0.317 32.135 32.500 -0.081 0.000 0.779 314 K HN 0.399 nan 8.250 nan 0.000 0.484 315 L N 1.724 122.863 121.223 -0.140 0.000 2.525 315 L HA -0.076 4.269 4.340 0.008 0.000 0.278 315 L C 0.027 176.834 176.870 -0.105 0.000 1.218 315 L CA 0.276 55.026 54.840 -0.151 0.000 0.878 315 L CB 0.202 42.105 42.059 -0.260 0.000 1.127 315 L HN 0.111 nan 8.230 nan 0.000 0.492 316 H N 2.731 121.752 119.070 -0.081 0.000 2.589 316 H HA 0.502 5.063 4.556 0.008 0.000 0.335 316 H C -0.240 175.051 175.328 -0.063 0.000 1.019 316 H CA -1.057 54.952 56.048 -0.064 0.000 1.213 316 H CB 1.717 31.447 29.762 -0.053 0.000 1.472 316 H HN 0.406 nan 8.280 nan 0.000 0.508 317 I N 2.047 122.562 120.570 -0.092 0.000 2.392 317 I HA 0.683 4.857 4.170 0.008 0.000 0.295 317 I C 1.097 177.084 176.117 -0.216 0.000 0.985 317 I CA 0.572 61.789 61.300 -0.139 0.000 1.221 317 I CB 1.529 39.366 38.000 -0.272 0.000 1.366 317 I HN 0.910 nan 8.210 nan 0.000 0.467 318 G N 3.729 112.456 108.800 -0.121 0.000 2.323 318 G HA2 0.103 4.068 3.960 0.008 0.000 0.291 318 G HA3 0.103 4.068 3.960 0.008 0.000 0.291 318 G C -1.779 173.193 174.900 0.120 0.000 1.278 318 G CA -0.821 44.177 45.100 -0.170 0.000 0.860 318 G HN 0.478 nan 8.290 nan 0.000 0.504 319 D N 0.439 120.885 120.400 0.076 0.000 2.450 319 D HA 0.313 4.958 4.640 0.008 0.000 0.247 319 D C 1.712 178.059 176.300 0.079 0.000 1.162 319 D CA 0.788 54.867 54.000 0.133 0.000 0.879 319 D CB 1.220 42.061 40.800 0.068 0.000 1.163 319 D HN 0.645 nan 8.370 nan 0.000 0.472 320 G N 3.461 112.308 108.800 0.078 0.000 2.535 320 G HA2 -0.167 3.797 3.960 0.008 0.000 0.218 320 G HA3 -0.167 3.797 3.960 0.008 0.000 0.218 320 G C 1.579 176.495 174.900 0.026 0.000 1.122 320 G CA 0.208 45.334 45.100 0.044 0.000 0.769 320 G HN 0.591 nan 8.290 nan 0.000 0.549 321 L N 0.088 121.325 121.223 0.023 0.000 2.509 321 L HA 0.175 4.520 4.340 0.008 0.000 0.222 321 L C 0.122 176.995 176.870 0.004 0.000 1.123 321 L CA -0.121 54.725 54.840 0.010 0.000 0.856 321 L CB -0.005 42.056 42.059 0.004 0.000 0.985 321 L HN 0.020 nan 8.230 nan 0.000 0.456 322 D N 0.117 120.520 120.400 0.004 0.000 2.225 322 D HA 0.132 4.777 4.640 0.008 0.000 0.249 322 D C -0.080 176.216 176.300 -0.007 0.000 1.052 322 D CA -0.372 53.625 54.000 -0.005 0.000 0.909 322 D CB 0.655 41.447 40.800 -0.012 0.000 1.186 322 D HN -0.108 nan 8.370 nan 0.000 0.431 323 N N 0.232 118.925 118.700 -0.010 0.000 2.412 323 N HA 0.242 4.987 4.740 0.008 0.000 0.258 323 N C 1.427 176.928 175.510 -0.014 0.000 1.236 323 N CA 0.849 53.893 53.050 -0.011 0.000 0.882 323 N CB 0.597 39.077 38.487 -0.012 0.000 1.066 323 N HN 0.682 nan 8.380 nan 0.000 0.465 324 G N 0.051 108.843 108.800 -0.012 0.000 2.184 324 G HA2 -0.282 3.682 3.960 0.008 0.000 0.264 324 G HA3 -0.282 3.682 3.960 0.008 0.000 0.264 324 G C 0.054 174.943 174.900 -0.019 0.000 0.975 324 G CA 0.253 45.343 45.100 -0.016 0.000 0.642 324 G HN 0.517 nan 8.290 nan 0.000 0.536 325 V N 1.830 121.736 119.914 -0.014 0.000 2.529 325 V HA 0.432 4.556 4.120 0.008 0.000 0.292 325 V C 1.638 177.730 176.094 -0.004 0.000 1.028 325 V CA 1.468 63.761 62.300 -0.012 0.000 1.074 325 V CB 1.234 33.057 31.823 -0.000 0.000 0.958 325 V HN 0.758 nan 8.190 nan 0.000 0.481 326 T N 1.767 116.315 114.554 -0.009 0.000 2.975 326 T HA 0.372 4.727 4.350 0.008 0.000 0.261 326 T C 0.186 174.892 174.700 0.009 0.000 0.984 326 T CA -0.049 62.048 62.100 -0.003 0.000 0.911 326 T CB 0.396 69.253 68.868 -0.018 0.000 1.127 326 T HN 0.255 nan 8.240 nan 0.000 0.514 327 I N 2.452 123.030 120.570 0.014 0.000 2.439 327 I HA 0.591 4.766 4.170 0.008 0.000 0.285 327 I C 0.779 176.951 176.117 0.093 0.000 1.021 327 I CA -0.800 60.528 61.300 0.047 0.000 1.091 327 I CB 1.097 39.120 38.000 0.038 0.000 1.242 327 I HN 0.249 nan 8.210 nan 0.000 0.439 328 G N 7.611 116.459 108.800 0.079 0.000 2.532 328 G HA2 0.654 4.619 3.960 0.008 0.000 0.291 328 G HA3 0.654 4.619 3.960 0.008 0.000 0.291 328 G C -2.692 172.181 174.900 -0.044 0.000 1.349 328 G CA -0.941 44.212 45.100 0.089 0.000 1.038 328 G HN 0.355 nan 8.290 nan 0.000 0.518 329 P HA 0.273 nan 4.420 nan 0.000 0.276 329 P C -0.022 177.066 177.300 -0.353 0.000 1.261 329 P CA -0.436 62.151 63.100 -0.854 0.000 0.800 329 P CB 1.135 32.058 31.700 -1.296 0.000 1.066 330 L N 1.030 122.091 121.223 -0.270 0.000 2.475 330 L HA 0.133 4.478 4.340 0.008 0.000 0.253 330 L C 2.217 178.937 176.870 -0.250 0.000 1.198 330 L CA -0.493 54.244 54.840 -0.171 0.000 0.814 330 L CB -0.062 41.934 42.059 -0.103 0.000 1.134 330 L HN 0.276 nan 8.230 nan 0.000 0.478 331 I N 0.056 120.424 120.570 -0.337 0.000 2.394 331 I HA -0.149 4.026 4.170 0.008 0.000 0.251 331 I C 0.406 176.286 176.117 -0.394 0.000 1.136 331 I CA 1.408 62.414 61.300 -0.489 0.000 1.425 331 I CB -0.189 37.148 38.000 -1.106 0.000 1.079 331 I HN 0.870 nan 8.210 nan 0.000 0.425 332 D N -2.542 117.659 120.400 -0.332 0.000 2.692 332 D HA 0.239 4.884 4.640 0.008 0.000 0.290 332 D C 0.687 176.901 176.300 -0.144 0.000 1.281 332 D CA 0.226 54.093 54.000 -0.223 0.000 0.804 332 D CB 0.338 40.998 40.800 -0.233 0.000 1.331 332 D HN -0.161 nan 8.370 nan 0.000 0.432 333 E N 0.217 120.361 120.200 -0.093 0.000 2.209 333 E HA -0.188 4.167 4.350 0.008 0.000 0.196 333 E C 1.528 178.103 176.600 -0.041 0.000 0.993 333 E CA 1.776 58.149 56.400 -0.045 0.000 0.819 333 E CB -0.750 28.936 29.700 -0.023 0.000 0.745 333 E HN 0.525 nan 8.360 nan 0.000 0.477 334 K N -0.436 119.926 120.400 -0.064 0.000 2.155 334 K HA 0.193 4.518 4.320 0.008 0.000 0.203 334 K C 2.652 179.214 176.600 -0.063 0.000 1.052 334 K CA 0.687 56.943 56.287 -0.052 0.000 0.948 334 K CB -0.040 32.429 32.500 -0.051 0.000 0.728 334 K HN 0.346 nan 8.250 nan 0.000 0.448 335 A N 1.350 124.115 122.820 -0.091 0.000 1.883 335 A HA -0.141 4.184 4.320 0.008 0.000 0.217 335 A C 2.401 179.924 177.584 -0.102 0.000 1.186 335 A CA 1.486 53.474 52.037 -0.081 0.000 0.624 335 A CB -0.774 18.158 19.000 -0.113 0.000 0.822 335 A HN 0.051 nan 8.150 nan 0.000 0.444 336 V N -0.069 119.801 119.914 -0.072 0.000 2.287 336 V HA -0.283 3.842 4.120 0.008 0.000 0.248 336 V C 3.083 179.146 176.094 -0.052 0.000 1.053 336 V CA 2.053 64.330 62.300 -0.038 0.000 1.027 336 V CB -1.328 30.558 31.823 0.106 0.000 0.646 336 V HN 0.638 nan 8.190 nan 0.000 0.447 337 A N -0.277 122.530 122.820 -0.021 0.000 1.917 337 A HA -0.326 3.999 4.320 0.008 0.000 0.219 337 A C 2.328 179.884 177.584 -0.047 0.000 1.182 337 A CA 2.480 54.513 52.037 -0.007 0.000 0.633 337 A CB -0.526 18.474 19.000 -0.001 0.000 0.819 337 A HN 0.563 nan 8.150 nan 0.000 0.448 338 K N -0.456 119.884 120.400 -0.101 0.000 2.025 338 K HA -0.076 4.248 4.320 0.008 0.000 0.207 338 K C 1.799 178.224 176.600 -0.292 0.000 1.049 338 K CA 1.526 57.706 56.287 -0.179 0.000 0.933 338 K CB -0.278 32.103 32.500 -0.198 0.000 0.714 338 K HN 0.221 nan 8.250 nan 0.000 0.438 339 V N 1.893 121.615 119.914 -0.320 0.000 2.287 339 V HA -0.259 3.865 4.120 0.008 0.000 0.248 339 V C 2.046 178.009 176.094 -0.218 0.000 1.053 339 V CA 2.088 64.145 62.300 -0.405 0.000 1.027 339 V CB -0.528 30.808 31.823 -0.811 0.000 0.646 339 V HN 0.407 nan 8.190 nan 0.000 0.447 340 E N -0.137 119.994 120.200 -0.114 0.000 2.085 340 E HA -0.240 4.115 4.350 0.008 0.000 0.194 340 E C 2.351 179.008 176.600 0.095 0.000 0.994 340 E CA 1.531 57.991 56.400 0.101 0.000 0.801 340 E CB -0.183 29.613 29.700 0.161 0.000 0.743 340 E HN 0.598 nan 8.360 nan 0.000 0.453 341 E N 0.290 120.529 120.200 0.065 0.000 2.051 341 E HA -0.205 4.150 4.350 0.008 0.000 0.192 341 E C 1.799 178.521 176.600 0.203 0.000 0.991 341 E CA 1.471 57.941 56.400 0.116 0.000 0.799 341 E CB -0.412 29.354 29.700 0.110 0.000 0.748 341 E HN 0.556 nan 8.360 nan 0.000 0.449 342 H N -0.760 118.329 119.070 0.032 0.000 2.387 342 H HA -0.041 4.521 4.556 0.009 0.000 0.299 342 H C 2.430 177.788 175.328 0.050 0.000 1.099 342 H CA 1.451 57.524 56.048 0.042 0.000 1.315 342 H CB -0.086 29.696 29.762 0.033 0.000 1.380 342 H HN 0.302 nan 8.280 nan 0.000 0.513 343 I N 0.682 121.362 120.570 0.184 0.000 2.142 343 I HA -0.253 3.922 4.170 0.008 0.000 0.240 343 I C 2.910 179.095 176.117 0.113 0.000 1.078 343 I CA 0.876 62.261 61.300 0.142 0.000 1.343 343 I CB -0.346 37.758 38.000 0.174 0.000 1.046 343 I HN 0.236 nan 8.210 nan 0.000 0.405 344 A N 0.471 123.359 122.820 0.113 0.000 1.917 344 A HA -0.360 3.965 4.320 0.008 0.000 0.219 344 A C 1.969 179.598 177.584 0.075 0.000 1.182 344 A CA 2.652 54.742 52.037 0.088 0.000 0.633 344 A CB -0.975 18.076 19.000 0.086 0.000 0.819 344 A HN 0.540 nan 8.150 nan 0.000 0.448 345 D N -0.737 119.712 120.400 0.082 0.000 2.084 345 D HA -0.008 4.636 4.640 0.008 0.000 0.194 345 D C 2.075 178.404 176.300 0.048 0.000 0.990 345 D CA 1.698 55.735 54.000 0.061 0.000 0.826 345 D CB -0.220 40.614 40.800 0.056 0.000 0.971 345 D HN 0.353 nan 8.370 nan 0.000 0.453 346 A N -0.190 122.659 122.820 0.049 0.000 1.908 346 A HA -0.119 4.206 4.320 0.008 0.000 0.218 346 A C 2.109 179.715 177.584 0.037 0.000 1.181 346 A CA 1.083 53.144 52.037 0.039 0.000 0.627 346 A CB -0.799 18.222 19.000 0.035 0.000 0.818 346 A HN 0.330 nan 8.150 nan 0.000 0.445 347 L N -0.124 121.125 121.223 0.044 0.000 2.017 347 L HA -0.160 4.184 4.340 0.008 0.000 0.208 347 L C 2.451 179.342 176.870 0.035 0.000 1.073 347 L CA 2.250 57.113 54.840 0.039 0.000 0.745 347 L CB -0.841 41.245 42.059 0.045 0.000 0.894 347 L HN 0.618 nan 8.230 nan 0.000 0.432 348 E N -0.106 120.117 120.200 0.038 0.000 2.160 348 E HA -0.251 4.104 4.350 0.008 0.000 0.195 348 E C 1.476 178.095 176.600 0.031 0.000 0.991 348 E CA 1.165 57.586 56.400 0.034 0.000 0.810 348 E CB 0.095 29.817 29.700 0.037 0.000 0.742 348 E HN 0.429 nan 8.360 nan 0.000 0.466 349 K N -1.093 119.327 120.400 0.033 0.000 2.417 349 K HA 0.096 4.421 4.320 0.008 0.000 0.196 349 K C 0.628 177.246 176.600 0.031 0.000 1.023 349 K CA 0.442 56.749 56.287 0.033 0.000 1.122 349 K CB 0.746 33.269 32.500 0.038 0.000 0.850 349 K HN 0.276 nan 8.250 nan 0.000 0.521 350 G N 0.856 109.672 108.800 0.027 0.000 2.134 350 G HA2 -0.239 3.726 3.960 0.008 0.000 0.209 350 G HA3 -0.239 3.726 3.960 0.008 0.000 0.209 350 G C 0.138 175.048 174.900 0.018 0.000 0.993 350 G CA -0.040 45.074 45.100 0.022 0.000 0.669 350 G HN 0.420 nan 8.290 nan 0.000 0.519 351 A N -0.445 122.385 122.820 0.016 0.000 2.287 351 A HA 0.862 5.187 4.320 0.008 0.000 0.273 351 A C 0.590 178.181 177.584 0.011 0.000 1.091 351 A CA 0.358 52.398 52.037 0.005 0.000 0.817 351 A CB 0.639 19.637 19.000 -0.003 0.000 1.069 351 A HN 0.867 nan 8.150 nan 0.000 0.492 352 R N 0.411 120.915 120.500 0.006 0.000 2.599 352 R HA 0.547 4.892 4.340 0.008 0.000 0.295 352 R C -1.724 174.586 176.300 0.017 0.000 0.963 352 R CA -0.526 55.582 56.100 0.014 0.000 0.883 352 R CB 1.627 31.936 30.300 0.015 0.000 1.171 352 R HN 0.485 nan 8.270 nan 0.000 0.450 353 V N 5.436 125.364 119.914 0.023 0.000 2.455 353 V HA 0.064 4.188 4.120 0.008 0.000 0.273 353 V C 0.898 177.003 176.094 0.020 0.000 1.045 353 V CA -0.027 62.290 62.300 0.028 0.000 0.976 353 V CB 1.419 33.262 31.823 0.033 0.000 0.993 353 V HN 0.755 nan 8.190 nan 0.000 0.475 354 V N 4.234 124.160 119.914 0.019 0.000 2.795 354 V HA 0.048 4.173 4.120 0.008 0.000 0.243 354 V C 0.670 176.766 176.094 0.003 0.000 1.069 354 V CA 1.254 63.561 62.300 0.011 0.000 1.089 354 V CB 0.669 32.498 31.823 0.010 0.000 0.756 354 V HN 1.044 nan 8.190 nan 0.000 0.471 355 C N -3.175 116.132 119.300 0.011 0.000 3.311 355 C HA 0.833 5.298 4.460 0.008 0.000 0.325 355 C C 0.773 175.778 174.990 0.025 0.000 1.352 355 C CA -0.566 58.453 59.018 0.003 0.000 1.308 355 C CB 0.941 28.671 27.740 -0.017 0.000 1.619 355 C HN 1.027 nan 8.230 nan 0.000 0.469 356 G N 0.762 109.566 108.800 0.006 0.000 2.550 356 G HA2 0.328 4.293 3.960 0.008 0.000 0.277 356 G HA3 0.328 4.293 3.960 0.008 0.000 0.277 356 G C 1.155 176.066 174.900 0.018 0.000 1.190 356 G CA 2.393 47.503 45.100 0.016 0.000 0.971 356 G HN 3.225 nan 8.290 nan 0.000 0.559 357 G N -1.956 106.886 108.800 0.070 0.000 2.316 357 G HA2 0.196 4.161 3.960 0.008 0.000 0.203 357 G HA3 0.196 4.161 3.960 0.008 0.000 0.203 357 G C 0.234 175.167 174.900 0.055 0.000 0.999 357 G CA 1.410 46.562 45.100 0.088 0.000 0.649 357 G HN 1.931 nan 8.290 nan 0.000 0.489 358 K N -0.777 119.514 120.400 -0.181 0.000 2.373 358 K HA 0.831 5.156 4.320 0.008 0.000 0.274 358 K C -0.140 175.850 176.600 -1.017 0.000 1.024 358 K CA -0.488 55.556 56.287 -0.406 0.000 0.867 358 K CB 0.743 33.144 32.500 -0.165 0.000 1.524 358 K HN 1.133 nan 8.250 nan 0.000 0.406 359 A N 1.265 123.645 122.820 -0.732 0.000 2.450 359 A HA 0.124 4.448 4.320 0.008 0.000 0.255 359 A C -0.065 177.366 177.584 -0.255 0.000 1.096 359 A CA -0.140 51.569 52.037 -0.547 0.000 0.778 359 A CB -0.348 18.576 19.000 -0.128 0.000 1.031 359 A HN 0.639 nan 8.150 nan 0.000 0.494 360 H N 1.181 120.128 119.070 -0.205 0.000 2.913 360 H HA -0.041 4.520 4.556 0.008 0.000 0.365 360 H C 1.230 176.506 175.328 -0.087 0.000 1.155 360 H CA 0.844 56.823 56.048 -0.114 0.000 1.417 360 H CB 0.723 30.466 29.762 -0.032 0.000 1.386 360 H HN 0.923 nan 8.280 nan 0.000 0.614 361 E N 4.036 123.914 120.200 -0.536 0.000 2.160 361 E HA -0.210 4.145 4.350 0.008 0.000 0.195 361 E C 1.913 178.510 176.600 -0.005 0.000 0.991 361 E CA 1.036 57.287 56.400 -0.247 0.000 0.810 361 E CB 0.039 29.537 29.700 -0.336 0.000 0.742 361 E HN 0.646 nan 8.360 nan 0.000 0.466 362 R N -0.227 120.401 120.500 0.214 0.000 2.159 362 R HA -0.083 4.262 4.340 0.008 0.000 0.237 362 R C 1.616 177.986 176.300 0.117 0.000 1.131 362 R CA 0.650 56.796 56.100 0.078 0.000 0.982 362 R CB -0.442 29.733 30.300 -0.207 0.000 0.868 362 R HN 0.306 nan 8.270 nan 0.000 0.453 363 G N -0.829 108.069 108.800 0.165 0.000 2.562 363 G HA2 -0.175 3.790 3.960 0.008 0.000 0.250 363 G HA3 -0.175 3.790 3.960 0.008 0.000 0.250 363 G C 0.586 175.625 174.900 0.232 0.000 1.269 363 G CA -0.238 44.953 45.100 0.152 0.000 0.919 363 G HN 0.674 nan 8.290 nan 0.000 0.574 364 G N -0.367 108.525 108.800 0.152 0.000 2.634 364 G HA2 -0.337 3.627 3.960 0.008 0.000 0.318 364 G HA3 -0.337 3.627 3.960 0.008 0.000 0.318 364 G C 0.912 175.865 174.900 0.088 0.000 1.207 364 G CA 1.249 46.420 45.100 0.119 0.000 0.987 364 G HN 1.818 nan 8.290 nan 0.000 0.547 365 N N 0.846 119.545 118.700 -0.002 0.000 2.270 365 N HA 0.234 4.979 4.740 0.008 0.000 0.198 365 N C 0.070 175.500 175.510 -0.133 0.000 1.117 365 N CA 0.201 53.182 53.050 -0.115 0.000 0.845 365 N CB 0.121 38.457 38.487 -0.252 0.000 0.980 365 N HN 0.321 nan 8.380 nan 0.000 0.486 366 F N 0.324 120.316 119.950 0.069 0.000 2.396 366 F HA 0.348 4.880 4.527 0.008 0.000 0.343 366 F C 0.227 176.129 175.800 0.170 0.000 1.104 366 F CA -0.571 57.472 58.000 0.071 0.000 1.161 366 F CB 0.663 39.644 39.000 -0.032 0.000 1.146 366 F HN -0.171 nan 8.300 nan 0.000 0.522 367 F N 1.724 121.806 119.950 0.219 0.000 2.576 367 F HA 0.377 4.909 4.527 0.007 0.000 0.313 367 F C -0.525 175.380 175.800 0.175 0.000 1.078 367 F CA -0.849 57.253 58.000 0.170 0.000 0.921 367 F CB 1.647 40.708 39.000 0.101 0.000 1.232 367 F HN 0.364 nan 8.300 nan 0.000 0.459 368 Q N 5.539 125.293 119.800 -0.076 0.000 2.293 368 Q HA 0.243 4.588 4.340 0.008 0.000 0.263 368 Q C -2.313 173.835 176.000 0.247 0.000 1.002 368 Q CA -1.768 54.068 55.803 0.054 0.000 0.910 368 Q CB 0.744 29.413 28.738 -0.113 0.000 1.185 368 Q HN 0.210 nan 8.270 nan 0.000 0.401 369 P HA -0.104 nan 4.420 nan 0.000 0.256 369 P C -1.089 176.330 177.300 0.198 0.000 1.173 369 P CA 0.721 63.935 63.100 0.189 0.000 0.768 369 P CB 0.492 32.074 31.700 -0.197 0.000 0.758 370 T N 4.863 119.604 114.554 0.312 0.000 2.841 370 T HA 0.604 4.959 4.350 0.008 0.000 0.283 370 T C 0.084 174.899 174.700 0.191 0.000 1.000 370 T CA -0.381 61.856 62.100 0.229 0.000 0.977 370 T CB 0.785 69.823 68.868 0.282 0.000 0.979 370 T HN 0.124 nan 8.240 nan 0.000 0.446 371 I N 3.220 123.861 120.570 0.119 0.000 2.474 371 I HA 0.500 4.675 4.170 0.008 0.000 0.294 371 I C -0.680 175.461 176.117 0.038 0.000 1.005 371 I CA -0.926 60.417 61.300 0.071 0.000 1.113 371 I CB 1.658 39.687 38.000 0.048 0.000 1.289 371 I HN 0.301 nan 8.210 nan 0.000 0.436 372 L N 6.354 127.578 121.223 0.002 0.000 2.334 372 L HA 0.777 5.122 4.340 0.008 0.000 0.273 372 L C -0.326 176.497 176.870 -0.078 0.000 1.013 372 L CA -0.992 53.832 54.840 -0.026 0.000 0.816 372 L CB 2.035 44.075 42.059 -0.031 0.000 1.278 372 L HN 0.427 nan 8.230 nan 0.000 0.431 373 V N -2.523 117.358 119.914 -0.055 0.000 3.141 373 V HA 0.600 4.725 4.120 0.008 0.000 0.312 373 V C -0.769 175.286 176.094 -0.065 0.000 1.157 373 V CA -0.755 61.511 62.300 -0.057 0.000 1.041 373 V CB 1.897 33.757 31.823 0.061 0.000 1.071 373 V HN 0.827 nan 8.190 nan 0.000 0.441 374 D N -0.307 120.052 120.400 -0.068 0.000 2.723 374 D HA -0.128 4.517 4.640 0.008 0.000 0.236 374 D C -0.158 176.119 176.300 -0.038 0.000 1.138 374 D CA 1.051 55.029 54.000 -0.038 0.000 0.676 374 D CB -1.340 39.455 40.800 -0.009 0.000 1.069 374 D HN 0.711 nan 8.370 nan 0.000 0.430 375 V N 1.303 121.153 119.914 -0.108 0.000 2.383 375 V HA 0.359 4.484 4.120 0.008 0.000 0.275 375 V C -1.345 174.828 176.094 0.132 0.000 1.036 375 V CA -1.212 61.059 62.300 -0.049 0.000 0.889 375 V CB 1.411 33.122 31.823 -0.186 0.000 0.985 375 V HN 0.010 nan 8.190 nan 0.000 0.459 376 P HA 0.225 nan 4.420 nan 0.000 0.274 376 P C 0.557 177.999 177.300 0.237 0.000 1.237 376 P CA -0.355 62.854 63.100 0.182 0.000 0.793 376 P CB 1.270 33.033 31.700 0.105 0.000 0.977 377 A N 2.574 125.512 122.820 0.195 0.000 2.070 377 A HA -0.182 4.143 4.320 0.008 0.000 0.220 377 A C 1.539 179.182 177.584 0.098 0.000 1.159 377 A CA 1.499 53.615 52.037 0.132 0.000 0.656 377 A CB -1.121 17.916 19.000 0.060 0.000 0.800 377 A HN 0.733 nan 8.150 nan 0.000 0.453 378 N N 0.244 118.994 118.700 0.084 0.000 2.336 378 N HA 0.240 4.985 4.740 0.008 0.000 0.189 378 N C 0.472 176.014 175.510 0.053 0.000 1.113 378 N CA 0.646 53.730 53.050 0.057 0.000 0.858 378 N CB -0.406 38.106 38.487 0.043 0.000 0.970 378 N HN 0.333 nan 8.380 nan 0.000 0.471 379 A N 1.418 124.281 122.820 0.072 0.000 2.445 379 A HA 0.155 4.480 4.320 0.008 0.000 0.242 379 A C 1.190 178.768 177.584 -0.010 0.000 1.075 379 A CA -0.402 51.660 52.037 0.040 0.000 0.777 379 A CB 0.553 19.589 19.000 0.060 0.000 1.013 379 A HN 0.213 nan 8.150 nan 0.000 0.493 380 K N 1.275 121.626 120.400 -0.082 0.000 2.089 380 K HA -0.164 4.160 4.320 0.008 0.000 0.210 380 K C 1.652 177.998 176.600 -0.423 0.000 1.048 380 K CA 1.634 57.783 56.287 -0.230 0.000 0.926 380 K CB -0.333 31.997 32.500 -0.282 0.000 0.714 380 K HN 0.499 nan 8.250 nan 0.000 0.448 381 V N 1.411 121.109 119.914 -0.359 0.000 2.759 381 V HA -0.166 3.959 4.120 0.008 0.000 0.256 381 V C 1.449 177.567 176.094 0.040 0.000 1.080 381 V CA 2.149 64.331 62.300 -0.196 0.000 1.101 381 V CB -0.142 31.682 31.823 0.001 0.000 0.698 381 V HN 0.386 nan 8.190 nan 0.000 0.477 382 S N -2.538 113.216 115.700 0.091 0.000 2.539 382 S HA 0.141 4.616 4.470 0.008 0.000 0.221 382 S C 1.400 176.095 174.600 0.158 0.000 0.987 382 S CA -0.078 58.239 58.200 0.196 0.000 0.929 382 S CB 0.825 64.226 63.200 0.336 0.000 0.832 382 S HN 0.396 nan 8.310 nan 0.000 0.492 383 K N 0.647 121.120 120.400 0.122 0.000 2.436 383 K HA 0.352 4.677 4.320 0.008 0.000 0.198 383 K C 0.234 176.986 176.600 0.253 0.000 1.174 383 K CA 0.266 56.638 56.287 0.141 0.000 0.951 383 K CB 0.530 33.072 32.500 0.070 0.000 1.040 383 K HN 0.626 nan 8.250 nan 0.000 0.536 384 E N 0.445 120.777 120.200 0.219 0.000 2.259 384 E HA 0.302 4.657 4.350 0.008 0.000 0.257 384 E C -0.833 175.953 176.600 0.311 0.000 0.998 384 E CA -0.634 55.960 56.400 0.323 0.000 0.866 384 E CB 1.483 31.330 29.700 0.245 0.000 1.220 384 E HN 0.174 nan 8.360 nan 0.000 0.415 385 E N 0.422 120.758 120.200 0.228 0.000 2.180 385 E HA 0.066 4.420 4.350 0.008 0.000 0.283 385 E C -0.080 176.677 176.600 0.263 0.000 1.061 385 E CA 0.006 56.484 56.400 0.129 0.000 0.861 385 E CB 0.724 30.382 29.700 -0.071 0.000 1.056 385 E HN 0.399 nan 8.360 nan 0.000 0.407 386 T N 4.334 119.064 114.554 0.293 0.000 2.851 386 T HA -0.086 4.269 4.350 0.008 0.000 0.262 386 T C 0.310 175.120 174.700 0.185 0.000 1.043 386 T CA 0.226 62.453 62.100 0.212 0.000 1.140 386 T CB -0.234 68.776 68.868 0.237 0.000 0.872 386 T HN 0.677 nan 8.240 nan 0.000 0.446 387 F N 1.165 121.117 119.950 0.003 0.000 3.090 387 F HA -0.124 4.408 4.527 0.008 0.000 0.282 387 F C 0.802 176.606 175.800 0.008 0.000 0.923 387 F CA 0.647 58.660 58.000 0.022 0.000 0.977 387 F CB -1.329 37.714 39.000 0.071 0.000 0.954 387 F HN 0.301 nan 8.300 nan 0.000 0.695 388 G N -0.958 107.849 108.800 0.011 0.000 2.727 388 G HA2 0.670 4.635 3.960 0.008 0.000 0.289 388 G HA3 0.670 4.635 3.960 0.008 0.000 0.289 388 G C -3.054 171.821 174.900 -0.042 0.000 1.418 388 G CA -0.822 44.249 45.100 -0.049 0.000 0.818 388 G HN -0.186 nan 8.290 nan 0.000 0.486 389 P HA 0.322 nan 4.420 nan 0.000 0.212 389 P C -0.907 176.509 177.300 0.193 0.000 1.816 389 P CA -0.183 63.013 63.100 0.160 0.000 0.944 389 P CB 0.182 32.103 31.700 0.369 0.000 1.896 390 L N 0.297 121.541 121.223 0.036 0.000 2.409 390 L HA 0.851 5.195 4.340 0.008 0.000 0.272 390 L C -1.550 175.322 176.870 0.003 0.000 0.980 390 L CA -0.971 53.910 54.840 0.069 0.000 0.826 390 L CB 2.104 44.200 42.059 0.062 0.000 1.268 390 L HN 0.068 nan 8.230 nan 0.000 0.407 391 A N 6.403 129.227 122.820 0.007 0.000 2.335 391 A HA 0.916 5.241 4.320 0.008 0.000 0.304 391 A C -2.916 174.649 177.584 -0.031 0.000 1.118 391 A CA -1.360 50.657 52.037 -0.032 0.000 0.757 391 A CB 1.170 20.110 19.000 -0.100 0.000 1.188 391 A HN 0.539 nan 8.150 nan 0.000 0.460 392 P HA 0.445 nan 4.420 nan 0.000 0.282 392 P C -1.035 176.055 177.300 -0.350 0.000 1.249 392 P CA -0.369 62.593 63.100 -0.229 0.000 0.806 392 P CB 1.491 33.038 31.700 -0.256 0.000 0.984 393 L N 3.853 124.810 121.223 -0.444 0.000 2.333 393 L HA 0.555 4.900 4.340 0.008 0.000 0.280 393 L C -1.328 175.331 176.870 -0.352 0.000 1.004 393 L CA -0.642 54.053 54.840 -0.243 0.000 0.820 393 L CB 0.392 42.423 42.059 -0.047 0.000 1.247 393 L HN 0.164 nan 8.230 nan 0.000 0.416 394 F N 3.765 123.740 119.950 0.041 0.000 2.495 394 F HA 0.602 5.132 4.527 0.006 0.000 0.327 394 F C 0.428 176.400 175.800 0.287 0.000 1.103 394 F CA -0.656 57.395 58.000 0.085 0.000 0.949 394 F CB 1.584 40.493 39.000 -0.151 0.000 1.142 394 F HN 0.344 nan 8.300 nan 0.000 0.457 395 R N 2.786 123.480 120.500 0.324 0.000 2.404 395 R HA 0.628 4.973 4.340 0.008 0.000 0.291 395 R C -1.322 175.163 176.300 0.309 0.000 1.025 395 R CA -0.437 55.752 56.100 0.149 0.000 0.991 395 R CB 0.972 31.107 30.300 -0.275 0.000 1.053 395 R HN 0.679 nan 8.270 nan 0.000 0.479 396 F N -0.388 119.637 119.950 0.125 0.000 2.643 396 F HA 0.438 4.969 4.527 0.007 0.000 0.314 396 F C 0.258 176.089 175.800 0.050 0.000 1.096 396 F CA -1.034 57.017 58.000 0.085 0.000 0.953 396 F CB 1.418 40.462 39.000 0.073 0.000 1.345 396 F HN 0.284 nan 8.300 nan 0.000 0.468 397 K N -0.015 120.510 120.400 0.209 0.000 2.108 397 K HA 0.272 4.596 4.320 0.008 0.000 0.204 397 K C -0.444 176.244 176.600 0.147 0.000 1.036 397 K CA 1.661 57.999 56.287 0.085 0.000 0.965 397 K CB -0.711 31.852 32.500 0.105 0.000 0.804 397 K HN 0.984 nan 8.250 nan 0.000 0.454 398 D N -2.495 118.122 120.400 0.363 0.000 2.664 398 D HA 0.207 4.851 4.640 0.008 0.000 0.292 398 D C 0.769 177.334 176.300 0.441 0.000 1.214 398 D CA -0.570 53.648 54.000 0.363 0.000 0.932 398 D CB 0.554 41.466 40.800 0.188 0.000 1.420 398 D HN 0.084 nan 8.370 nan 0.000 0.471 399 E N -0.370 120.043 120.200 0.356 0.000 2.070 399 E HA -0.220 4.135 4.350 0.008 0.000 0.197 399 E C 1.955 178.594 176.600 0.066 0.000 1.004 399 E CA 1.877 58.428 56.400 0.252 0.000 0.805 399 E CB -0.232 29.531 29.700 0.105 0.000 0.744 399 E HN 0.507 nan 8.360 nan 0.000 0.451 400 A N 0.921 123.769 122.820 0.046 0.000 1.858 400 A HA -0.272 4.053 4.320 0.008 0.000 0.216 400 A C 2.115 179.675 177.584 -0.040 0.000 1.190 400 A CA 2.565 54.599 52.037 -0.006 0.000 0.617 400 A CB -1.532 17.471 19.000 0.005 0.000 0.827 400 A HN 0.523 nan 8.150 nan 0.000 0.443 401 D N -0.990 119.405 120.400 -0.007 0.000 2.104 401 D HA -0.085 4.560 4.640 0.008 0.000 0.194 401 D C 2.091 178.287 176.300 -0.174 0.000 0.994 401 D CA 1.892 55.870 54.000 -0.037 0.000 0.830 401 D CB -0.885 39.947 40.800 0.054 0.000 0.959 401 D HN 0.320 nan 8.370 nan 0.000 0.452 402 V N -0.015 119.708 119.914 -0.318 0.000 2.427 402 V HA -0.086 4.039 4.120 0.008 0.000 0.248 402 V C 2.612 178.375 176.094 -0.552 0.000 1.051 402 V CA 1.401 63.285 62.300 -0.694 0.000 1.048 402 V CB -0.407 30.523 31.823 -1.489 0.000 0.666 402 V HN 0.611 nan 8.190 nan 0.000 0.456 403 I N 0.286 120.655 120.570 -0.335 0.000 2.179 403 I HA -0.225 3.950 4.170 0.008 0.000 0.242 403 I C 2.699 178.701 176.117 -0.192 0.000 1.088 403 I CA 1.597 62.757 61.300 -0.232 0.000 1.357 403 I CB -0.655 37.255 38.000 -0.149 0.000 1.051 403 I HN 0.365 nan 8.210 nan 0.000 0.409 404 A N -0.026 122.694 122.820 -0.166 0.000 1.908 404 A HA -0.258 4.067 4.320 0.008 0.000 0.218 404 A C 2.301 179.791 177.584 -0.157 0.000 1.181 404 A CA 2.043 54.002 52.037 -0.129 0.000 0.627 404 A CB -0.828 18.115 19.000 -0.095 0.000 0.818 404 A HN 0.410 nan 8.150 nan 0.000 0.445 405 Q N -1.282 118.373 119.800 -0.242 0.000 2.046 405 Q HA -0.020 4.325 4.340 0.008 0.000 0.200 405 Q C 2.688 178.510 176.000 -0.297 0.000 0.975 405 Q CA 1.476 57.107 55.803 -0.286 0.000 0.836 405 Q CB -1.028 27.461 28.738 -0.415 0.000 0.896 405 Q HN 0.912 nan 8.270 nan 0.000 0.428 406 A N 1.631 124.208 122.820 -0.405 0.000 1.908 406 A HA -0.198 4.127 4.320 0.008 0.000 0.218 406 A C 1.845 179.469 177.584 0.067 0.000 1.181 406 A CA 1.830 53.739 52.037 -0.213 0.000 0.627 406 A CB -0.578 18.272 19.000 -0.250 0.000 0.818 406 A HN 0.511 nan 8.150 nan 0.000 0.445 407 N N 0.145 118.846 118.700 0.001 0.000 2.461 407 N HA -0.019 4.725 4.740 0.008 0.000 0.188 407 N C -0.125 175.356 175.510 -0.048 0.000 1.134 407 N CA 0.545 53.590 53.050 -0.008 0.000 0.878 407 N CB -0.160 38.298 38.487 -0.050 0.000 0.972 407 N HN 0.430 nan 8.380 nan 0.000 0.456 408 D N 0.688 121.063 120.400 -0.041 0.000 2.688 408 D HA 0.083 4.728 4.640 0.008 0.000 0.228 408 D C -0.672 175.609 176.300 -0.032 0.000 1.116 408 D CA 0.152 54.123 54.000 -0.047 0.000 1.023 408 D CB -0.230 40.540 40.800 -0.051 0.000 1.100 408 D HN -0.062 nan 8.370 nan 0.000 0.487 409 T N -0.489 114.030 114.554 -0.057 0.000 2.886 409 T HA 0.104 4.459 4.350 0.008 0.000 0.330 409 T C 0.683 175.270 174.700 -0.187 0.000 1.488 409 T CA -0.607 61.443 62.100 -0.084 0.000 1.054 409 T CB 1.065 69.968 68.868 0.058 0.000 1.348 409 T HN 0.215 nan 8.240 nan 0.000 0.489 410 E N 2.024 122.008 120.200 -0.360 0.000 2.358 410 E HA 0.070 4.424 4.350 0.008 0.000 0.195 410 E C -0.062 176.310 176.600 -0.379 0.000 1.010 410 E CA 0.434 56.594 56.400 -0.400 0.000 0.856 410 E CB -0.111 29.296 29.700 -0.488 0.000 0.795 410 E HN 0.580 nan 8.360 nan 0.000 0.504 411 F N 0.522 120.454 119.950 -0.031 0.000 2.362 411 F HA 0.515 5.047 4.527 0.008 0.000 0.311 411 F C 1.364 177.050 175.800 -0.189 0.000 1.161 411 F CA -0.088 57.892 58.000 -0.034 0.000 1.085 411 F CB 1.205 40.246 39.000 0.069 0.000 1.311 411 F HN -0.032 nan 8.300 nan 0.000 0.524 412 G N 0.309 109.145 108.800 0.060 0.000 5.473 412 G HA2 0.118 4.083 3.960 0.008 0.000 0.206 412 G HA3 0.118 4.083 3.960 0.008 0.000 0.206 412 G C -0.216 174.706 174.900 0.037 0.000 0.904 412 G CA -0.308 44.638 45.100 -0.258 0.000 0.697 412 G HN 0.601 nan 8.290 nan 0.000 0.279 413 L N 0.105 121.495 121.223 0.278 0.000 2.292 413 L HA 0.749 5.094 4.340 0.008 0.000 0.196 413 L C 1.256 178.286 176.870 0.266 0.000 1.246 413 L CA 0.805 55.781 54.840 0.226 0.000 0.864 413 L CB 0.233 42.392 42.059 0.167 0.000 1.044 413 L HN 0.249 nan 8.230 nan 0.000 0.504 414 A N -0.565 122.374 122.820 0.199 0.000 2.340 414 A HA 0.748 5.073 4.320 0.008 0.000 0.331 414 A C -0.954 176.399 177.584 -0.384 0.000 1.140 414 A CA -0.031 51.956 52.037 -0.084 0.000 0.801 414 A CB 1.393 20.318 19.000 -0.125 0.000 1.234 414 A HN 0.436 nan 8.150 nan 0.000 0.469 415 A N 0.713 123.125 122.820 -0.681 0.000 2.515 415 A HA 0.848 5.173 4.320 0.008 0.000 0.296 415 A C -1.582 175.568 177.584 -0.723 0.000 1.094 415 A CA -0.461 51.134 52.037 -0.737 0.000 0.718 415 A CB 1.009 19.425 19.000 -0.973 0.000 1.307 415 A HN 0.889 nan 8.150 nan 0.000 0.408 416 Y N -0.350 119.879 120.300 -0.119 0.000 2.524 416 Y HA 0.694 5.249 4.550 0.007 0.000 0.347 416 Y C -0.487 175.327 175.900 -0.142 0.000 1.005 416 Y CA -0.759 57.230 58.100 -0.185 0.000 1.025 416 Y CB 2.178 40.467 38.460 -0.285 0.000 1.275 416 Y HN 0.827 nan 8.280 nan 0.000 0.460 417 F N -0.631 119.223 119.950 -0.160 0.000 2.654 417 F HA 0.742 5.274 4.527 0.008 0.000 0.308 417 F C -2.389 173.371 175.800 -0.067 0.000 1.108 417 F CA -1.891 56.068 58.000 -0.069 0.000 0.957 417 F CB 1.346 40.408 39.000 0.104 0.000 1.309 417 F HN 0.379 nan 8.300 nan 0.000 0.446 418 Y N 1.785 122.172 120.300 0.144 0.000 2.326 418 Y HA 0.808 5.363 4.550 0.008 0.000 0.331 418 Y C -0.062 176.062 175.900 0.374 0.000 0.962 418 Y CA -0.654 57.515 58.100 0.116 0.000 1.167 418 Y CB 1.898 40.416 38.460 0.095 0.000 1.148 418 Y HN 1.091 nan 8.280 nan 0.000 0.463 419 A N 3.053 126.061 122.820 0.313 0.000 2.608 419 A HA 0.677 5.002 4.320 0.008 0.000 0.292 419 A C -0.394 177.267 177.584 0.128 0.000 1.066 419 A CA -0.941 51.266 52.037 0.283 0.000 0.676 419 A CB 1.621 20.766 19.000 0.242 0.000 1.277 419 A HN 0.864 nan 8.150 nan 0.000 0.413 420 R N -0.224 120.341 120.500 0.107 0.000 2.316 420 R HA 0.118 4.463 4.340 0.008 0.000 0.201 420 R C -0.460 175.872 176.300 0.053 0.000 0.888 420 R CA 0.205 56.346 56.100 0.069 0.000 1.041 420 R CB 0.315 30.661 30.300 0.075 0.000 1.115 420 R HN 0.805 nan 8.270 nan 0.000 0.559 421 D N 0.992 121.419 120.400 0.045 0.000 2.371 421 D HA -0.034 4.611 4.640 0.008 0.000 0.256 421 D C 1.074 177.407 176.300 0.056 0.000 1.193 421 D CA -0.153 53.867 54.000 0.034 0.000 0.881 421 D CB 1.038 41.842 40.800 0.006 0.000 1.143 421 D HN -0.127 nan 8.370 nan 0.000 0.473 422 L N 3.682 124.952 121.223 0.078 0.000 1.990 422 L HA -0.212 4.133 4.340 0.008 0.000 0.213 422 L C 2.078 179.082 176.870 0.224 0.000 1.072 422 L CA 1.813 56.746 54.840 0.154 0.000 0.755 422 L CB -0.757 41.381 42.059 0.130 0.000 0.889 422 L HN 0.480 nan 8.230 nan 0.000 0.432 423 S N -0.720 115.039 115.700 0.098 0.000 2.359 423 S HA -0.268 4.207 4.470 0.008 0.000 0.224 423 S C 2.065 176.705 174.600 0.066 0.000 1.035 423 S CA 1.649 59.883 58.200 0.057 0.000 1.018 423 S CB -0.462 62.729 63.200 -0.015 0.000 0.876 423 S HN 0.479 nan 8.310 nan 0.000 0.448 424 R N 0.831 121.331 120.500 -0.001 0.000 2.091 424 R HA -0.105 4.240 4.340 0.008 0.000 0.238 424 R C 2.049 178.308 176.300 -0.068 0.000 1.136 424 R CA 1.605 57.637 56.100 -0.112 0.000 0.959 424 R CB -0.507 29.660 30.300 -0.221 0.000 0.856 424 R HN 0.263 nan 8.270 nan 0.000 0.437 425 V N 0.623 120.593 119.914 0.092 0.000 2.332 425 V HA -0.247 3.878 4.120 0.008 0.000 0.248 425 V C 2.066 178.244 176.094 0.140 0.000 1.055 425 V CA 1.960 64.393 62.300 0.223 0.000 1.038 425 V CB -0.591 31.316 31.823 0.140 0.000 0.651 425 V HN 0.269 nan 8.190 nan 0.000 0.450 426 F N 0.104 120.067 119.950 0.023 0.000 2.102 426 F HA -0.129 4.403 4.527 0.008 0.000 0.298 426 F C 2.662 178.436 175.800 -0.043 0.000 1.105 426 F CA 1.711 59.711 58.000 -0.001 0.000 1.239 426 F CB -0.383 38.607 39.000 -0.016 0.000 0.991 426 F HN -0.056 nan 8.300 nan 0.000 0.474 427 R N -0.130 120.441 120.500 0.119 0.000 2.080 427 R HA -0.164 4.181 4.340 0.008 0.000 0.236 427 R C 2.103 178.344 176.300 -0.099 0.000 1.137 427 R CA 1.858 57.954 56.100 -0.005 0.000 0.943 427 R CB -0.935 29.332 30.300 -0.054 0.000 0.846 427 R HN 0.177 nan 8.270 nan 0.000 0.431 428 V N -0.141 119.631 119.914 -0.236 0.000 2.379 428 V HA -0.108 4.016 4.120 0.008 0.000 0.245 428 V C 2.395 178.290 176.094 -0.332 0.000 1.044 428 V CA 1.987 64.022 62.300 -0.442 0.000 1.036 428 V CB -0.860 30.384 31.823 -0.964 0.000 0.664 428 V HN 0.553 nan 8.190 nan 0.000 0.453 429 G N -0.299 108.411 108.800 -0.150 0.000 2.440 429 G HA2 -0.251 3.714 3.960 0.008 0.000 0.218 429 G HA3 -0.251 3.714 3.960 0.008 0.000 0.218 429 G C 1.473 176.369 174.900 -0.006 0.000 1.154 429 G CA 0.962 46.096 45.100 0.057 0.000 0.767 429 G HN 0.573 nan 8.290 nan 0.000 0.552 430 E N 0.252 120.442 120.200 -0.016 0.000 2.152 430 E HA 0.117 4.472 4.350 0.008 0.000 0.192 430 E C 2.742 179.331 176.600 -0.019 0.000 0.983 430 E CA 0.638 57.035 56.400 -0.004 0.000 0.818 430 E CB -0.058 29.661 29.700 0.032 0.000 0.758 430 E HN 0.429 nan 8.360 nan 0.000 0.467 431 A N 0.724 123.518 122.820 -0.044 0.000 2.072 431 A HA 0.071 4.396 4.320 0.008 0.000 0.216 431 A C 1.034 178.598 177.584 -0.033 0.000 1.156 431 A CA 0.001 52.008 52.037 -0.049 0.000 0.701 431 A CB -0.091 18.866 19.000 -0.072 0.000 0.816 431 A HN 0.081 nan 8.150 nan 0.000 0.458 432 L N 1.413 122.629 121.223 -0.012 0.000 2.462 432 L HA 0.060 4.405 4.340 0.008 0.000 0.272 432 L C 0.020 176.966 176.870 0.127 0.000 1.166 432 L CA -0.060 54.836 54.840 0.094 0.000 0.880 432 L CB 0.618 42.739 42.059 0.103 0.000 1.142 432 L HN 0.346 nan 8.230 nan 0.000 0.473 433 E N 4.562 124.803 120.200 0.067 0.000 2.110 433 E HA 0.189 4.544 4.350 0.008 0.000 0.300 433 E C -1.439 174.886 176.600 -0.459 0.000 1.278 433 E CA -0.027 56.274 56.400 -0.165 0.000 1.365 433 E CB 0.127 29.689 29.700 -0.229 0.000 1.283 433 E HN 0.341 nan 8.360 nan 0.000 0.490 434 Y N -1.547 118.728 120.300 -0.042 0.000 2.562 434 Y HA 0.332 4.887 4.550 0.007 0.000 0.345 434 Y C 1.287 177.149 175.900 -0.063 0.000 1.045 434 Y CA -1.033 57.042 58.100 -0.041 0.000 1.028 434 Y CB 1.793 40.220 38.460 -0.056 0.000 1.297 434 Y HN 0.225 nan 8.280 nan 0.000 0.463 435 G N 1.254 110.095 108.800 0.069 0.000 2.511 435 G HA2 0.096 4.061 3.960 0.008 0.000 0.217 435 G HA3 0.096 4.061 3.960 0.008 0.000 0.217 435 G C 0.131 174.993 174.900 -0.063 0.000 1.133 435 G CA 0.497 45.592 45.100 -0.008 0.000 0.792 435 G HN 0.419 nan 8.290 nan 0.000 0.539 436 I N 0.452 120.989 120.570 -0.055 0.000 2.498 436 I HA 0.413 4.588 4.170 0.008 0.000 0.290 436 I C -1.261 174.731 176.117 -0.208 0.000 1.032 436 I CA -0.908 60.281 61.300 -0.185 0.000 1.073 436 I CB 2.938 40.805 38.000 -0.222 0.000 1.251 436 I HN -0.310 nan 8.210 nan 0.000 0.426 437 V N 4.559 124.334 119.914 -0.233 0.000 2.447 437 V HA 0.522 4.647 4.120 0.008 0.000 0.292 437 V C 0.420 176.346 176.094 -0.280 0.000 1.021 437 V CA -0.597 61.558 62.300 -0.242 0.000 0.850 437 V CB 1.647 33.422 31.823 -0.081 0.000 1.005 437 V HN 0.898 nan 8.190 nan 0.000 0.426 438 G N 5.152 113.731 108.800 -0.368 0.000 2.339 438 G HA2 0.652 4.617 3.960 0.008 0.000 0.287 438 G HA3 0.652 4.617 3.960 0.008 0.000 0.287 438 G C -0.582 174.099 174.900 -0.365 0.000 1.163 438 G CA -0.297 44.680 45.100 -0.205 0.000 0.872 438 G HN 0.644 nan 8.290 nan 0.000 0.464 439 I N 2.543 122.825 120.570 -0.481 0.000 2.382 439 I HA 0.182 4.357 4.170 0.008 0.000 0.285 439 I C -0.084 175.600 176.117 -0.721 0.000 1.007 439 I CA -0.813 59.995 61.300 -0.820 0.000 1.142 439 I CB 1.516 39.059 38.000 -0.763 0.000 1.289 439 I HN 0.471 nan 8.210 nan 0.000 0.453 440 N N 2.177 120.224 118.700 -1.088 0.000 2.714 440 N HA -0.182 4.563 4.740 0.008 0.000 0.250 440 N C -0.153 174.895 175.510 -0.769 0.000 1.117 440 N CA 1.337 53.625 53.050 -1.271 0.000 0.719 440 N CB -0.881 37.288 38.487 -0.531 0.000 1.081 440 N HN 0.749 nan 8.380 nan 0.000 0.557 441 T N -2.608 111.619 114.554 -0.544 0.000 2.982 441 T HA 0.571 4.926 4.350 0.008 0.000 0.321 441 T C 0.918 175.719 174.700 0.168 0.000 1.229 441 T CA 0.088 62.170 62.100 -0.030 0.000 1.044 441 T CB 1.376 70.228 68.868 -0.026 0.000 1.184 441 T HN 0.076 nan 8.240 nan 0.000 0.477 442 G N 1.627 110.586 108.800 0.264 0.000 2.939 442 G HA2 0.343 4.307 3.960 0.008 0.000 0.210 442 G HA3 0.343 4.307 3.960 0.008 0.000 0.210 442 G C 0.522 175.491 174.900 0.115 0.000 1.160 442 G CA 0.552 45.749 45.100 0.162 0.000 0.770 442 G HN 1.107 nan 8.290 nan 0.000 0.543 443 I N -0.930 119.727 120.570 0.146 0.000 2.411 443 I HA 0.657 4.832 4.170 0.008 0.000 0.284 443 I C 0.503 176.698 176.117 0.130 0.000 1.012 443 I CA -1.509 59.862 61.300 0.119 0.000 1.119 443 I CB 0.232 38.265 38.000 0.054 0.000 1.261 443 I HN 0.227 nan 8.210 nan 0.000 0.448 444 I N 0.759 121.442 120.570 0.188 0.000 4.227 444 I HA 0.395 4.570 4.170 0.008 0.000 0.334 444 I C 0.957 177.289 176.117 0.358 0.000 1.341 444 I CA 0.012 61.438 61.300 0.209 0.000 1.123 444 I CB 0.252 38.373 38.000 0.202 0.000 1.097 444 I HN 0.479 nan 8.210 nan 0.000 0.399 445 S N 3.528 119.336 115.700 0.179 0.000 2.525 445 S HA 0.308 4.783 4.470 0.008 0.000 0.285 445 S C -0.178 174.420 174.600 -0.003 0.000 1.283 445 S CA -0.086 58.078 58.200 -0.061 0.000 1.072 445 S CB -0.270 62.627 63.200 -0.505 0.000 0.867 445 S HN 0.794 nan 8.310 nan 0.000 0.492 446 N N 0.635 119.366 118.700 0.053 0.000 3.116 446 N HA 0.200 4.945 4.740 0.008 0.000 0.244 446 N C -0.071 175.308 175.510 -0.217 0.000 1.485 446 N CA -0.909 52.147 53.050 0.009 0.000 0.884 446 N CB 0.516 38.996 38.487 -0.012 0.000 1.415 446 N HN 0.338 nan 8.380 nan 0.000 0.524 447 E N -0.151 119.681 120.200 -0.614 0.000 2.447 447 E HA -0.007 4.347 4.350 0.008 0.000 0.195 447 E C 0.944 176.890 176.600 -1.089 0.000 1.028 447 E CA 0.985 56.686 56.400 -1.165 0.000 0.876 447 E CB -0.179 28.605 29.700 -1.526 0.000 0.885 447 E HN 0.544 nan 8.360 nan 0.000 0.500 448 V N -1.971 117.428 119.914 -0.858 0.000 3.354 448 V HA 0.486 4.610 4.120 0.008 0.000 0.258 448 V C 1.101 176.902 176.094 -0.489 0.000 1.159 448 V CA 0.205 61.841 62.300 -1.106 0.000 1.125 448 V CB -0.130 31.223 31.823 -0.783 0.000 0.774 448 V HN 0.293 nan 8.190 nan 0.000 0.464 449 A N 1.890 124.629 122.820 -0.135 0.000 2.325 449 A HA 0.846 5.171 4.320 0.008 0.000 0.333 449 A C -2.874 174.819 177.584 0.181 0.000 1.155 449 A CA -2.172 49.878 52.037 0.022 0.000 0.814 449 A CB 0.872 19.853 19.000 -0.032 0.000 1.206 449 A HN 0.272 nan 8.150 nan 0.000 0.482 450 P HA 0.312 nan 4.420 nan 0.000 0.276 450 P C -1.232 176.088 177.300 0.034 0.000 1.253 450 P CA 0.463 63.680 63.100 0.194 0.000 0.766 450 P CB 0.101 31.894 31.700 0.154 0.000 0.845 451 F N 2.887 122.897 119.950 0.100 0.000 2.449 451 F HA 0.711 5.243 4.527 0.008 0.000 0.342 451 F C 1.089 176.925 175.800 0.061 0.000 1.127 451 F CA 0.245 58.289 58.000 0.073 0.000 0.975 451 F CB 2.346 41.404 39.000 0.096 0.000 1.146 451 F HN 0.516 nan 8.300 nan 0.000 0.444 452 G N 1.245 110.140 108.800 0.158 0.000 2.322 452 G HA2 0.478 4.443 3.960 0.008 0.000 0.295 452 G HA3 0.478 4.443 3.960 0.008 0.000 0.295 452 G C -1.590 173.350 174.900 0.067 0.000 1.369 452 G CA -0.337 44.831 45.100 0.113 0.000 0.821 452 G HN 0.846 nan 8.290 nan 0.000 0.536 453 G N -1.039 107.798 108.800 0.063 0.000 2.454 453 G HA2 0.809 4.774 3.960 0.008 0.000 0.329 453 G HA3 0.809 4.774 3.960 0.008 0.000 0.329 453 G C -0.054 174.860 174.900 0.023 0.000 1.177 453 G CA -0.257 44.876 45.100 0.055 0.000 0.951 453 G HN 1.395 nan 8.290 nan 0.000 0.485 454 I N -2.148 118.420 120.570 -0.003 0.000 3.076 454 I HA 0.796 4.971 4.170 0.008 0.000 0.313 454 I C 0.424 176.522 176.117 -0.031 0.000 1.053 454 I CA -1.002 60.278 61.300 -0.033 0.000 1.048 454 I CB 1.635 39.593 38.000 -0.070 0.000 1.264 454 I HN 0.729 nan 8.210 nan 0.000 0.498 455 K N 0.948 121.321 120.400 -0.045 0.000 1.898 455 K HA -0.294 4.031 4.320 0.008 0.000 0.256 455 K C 1.022 177.621 176.600 -0.001 0.000 1.652 455 K CA 1.204 57.464 56.287 -0.046 0.000 0.589 455 K CB -1.701 30.743 32.500 -0.092 0.000 0.785 455 K HN 0.856 nan 8.250 nan 0.000 0.824 456 A N 0.537 123.360 122.820 0.004 0.000 2.216 456 A HA -0.046 4.278 4.320 0.008 0.000 0.214 456 A C 1.862 179.551 177.584 0.176 0.000 1.160 456 A CA 1.922 53.995 52.037 0.061 0.000 0.725 456 A CB -0.387 18.611 19.000 -0.004 0.000 0.784 456 A HN 0.436 nan 8.150 nan 0.000 0.472 457 S N -1.067 114.747 115.700 0.190 0.000 2.515 457 S HA 0.360 4.834 4.470 0.008 0.000 0.231 457 S C 0.966 175.637 174.600 0.119 0.000 0.987 457 S CA 0.799 59.112 58.200 0.188 0.000 0.936 457 S CB -0.106 63.199 63.200 0.174 0.000 0.766 457 S HN 1.257 nan 8.310 nan 0.000 0.528 458 G N -0.225 108.631 108.800 0.092 0.000 2.356 458 G HA2 0.323 4.288 3.960 0.008 0.000 0.288 458 G HA3 0.323 4.288 3.960 0.008 0.000 0.288 458 G C -2.256 172.677 174.900 0.055 0.000 1.302 458 G CA -1.073 44.075 45.100 0.080 0.000 0.887 458 G HN 0.166 nan 8.290 nan 0.000 0.521 459 L N 0.244 121.498 121.223 0.053 0.000 2.431 459 L HA 0.738 5.083 4.340 0.008 0.000 0.266 459 L C 0.738 177.630 176.870 0.038 0.000 0.978 459 L CA 0.123 54.983 54.840 0.034 0.000 0.822 459 L CB 1.960 44.035 42.059 0.026 0.000 1.310 459 L HN 2.367 nan 8.230 nan 0.000 0.409 460 G N 1.941 110.761 108.800 0.032 0.000 2.796 460 G HA2 -0.094 3.870 3.960 0.008 0.000 0.571 460 G HA3 -0.094 3.870 3.960 0.008 0.000 0.571 460 G C -1.309 173.638 174.900 0.078 0.000 1.370 460 G CA -0.888 44.241 45.100 0.048 0.000 0.856 460 G HN 0.491 nan 8.290 nan 0.000 0.538 461 R N 0.237 120.811 120.500 0.124 0.000 2.795 461 R HA 0.623 4.968 4.340 0.008 0.000 0.275 461 R C -0.339 176.110 176.300 0.248 0.000 0.981 461 R CA -0.732 55.474 56.100 0.176 0.000 0.917 461 R CB 1.838 32.243 30.300 0.175 0.000 1.202 461 R HN 0.755 nan 8.270 nan 0.000 0.469 462 E N 0.022 120.393 120.200 0.286 0.000 2.227 462 E HA 0.589 4.944 4.350 0.008 0.000 0.268 462 E C -0.219 176.663 176.600 0.471 0.000 0.907 462 E CA -0.686 55.905 56.400 0.319 0.000 0.786 462 E CB 2.245 32.033 29.700 0.148 0.000 1.191 462 E HN 0.763 nan 8.360 nan 0.000 0.411 463 G N 1.815 111.007 108.800 0.654 0.000 2.829 463 G HA2 -0.065 3.900 3.960 0.008 0.000 0.628 463 G HA3 -0.065 3.900 3.960 0.008 0.000 0.628 463 G C -0.032 175.070 174.900 0.336 0.000 1.412 463 G CA -0.112 45.305 45.100 0.528 0.000 0.864 463 G HN 1.582 nan 8.290 nan 0.000 0.544 464 S N -1.802 113.792 115.700 -0.176 0.000 3.849 464 S HA -0.181 4.293 4.470 0.008 0.000 0.654 464 S C 1.505 176.405 174.600 0.501 0.000 1.808 464 S CA 1.658 59.863 58.200 0.008 0.000 1.951 464 S CB -0.945 62.357 63.200 0.171 0.000 0.330 464 S HN 2.649 nan 8.310 nan 0.000 1.627 465 K N 0.020 120.642 120.400 0.369 0.000 2.211 465 K HA -0.088 4.236 4.320 0.008 0.000 0.203 465 K C 1.722 178.367 176.600 0.075 0.000 1.050 465 K CA 1.938 58.326 56.287 0.168 0.000 0.945 465 K CB -0.559 31.901 32.500 -0.065 0.000 0.732 465 K HN 0.692 nan 8.250 nan 0.000 0.451 466 Y N 1.899 122.369 120.300 0.283 0.000 2.352 466 Y HA 0.036 4.591 4.550 0.008 0.000 0.292 466 Y C 2.816 178.889 175.900 0.289 0.000 1.136 466 Y CA 1.012 59.252 58.100 0.233 0.000 1.227 466 Y CB -0.815 37.746 38.460 0.169 0.000 0.991 466 Y HN 0.245 nan 8.280 nan 0.000 0.545 467 G N 0.172 109.298 108.800 0.543 0.000 2.442 467 G HA2 -0.278 3.687 3.960 0.008 0.000 0.219 467 G HA3 -0.278 3.687 3.960 0.008 0.000 0.219 467 G C 1.695 176.830 174.900 0.392 0.000 1.141 467 G CA 1.073 46.500 45.100 0.545 0.000 0.763 467 G HN 0.504 nan 8.290 nan 0.000 0.554 468 I N 0.004 120.822 120.570 0.412 0.000 2.761 468 I HA 0.010 4.185 4.170 0.008 0.000 0.261 468 I C 2.179 178.445 176.117 0.249 0.000 1.198 468 I CA 0.523 61.966 61.300 0.238 0.000 1.482 468 I CB 0.089 38.233 38.000 0.240 0.000 1.100 468 I HN 0.072 nan 8.210 nan 0.000 0.445 469 E N 0.654 120.997 120.200 0.239 0.000 2.268 469 E HA -0.191 4.164 4.350 0.008 0.000 0.195 469 E C 1.207 177.888 176.600 0.134 0.000 0.995 469 E CA 0.767 57.275 56.400 0.179 0.000 0.836 469 E CB -0.190 29.624 29.700 0.191 0.000 0.763 469 E HN 0.568 nan 8.360 nan 0.000 0.491 470 D N -0.399 120.078 120.400 0.128 0.000 2.348 470 D HA -0.107 4.538 4.640 0.008 0.000 0.216 470 D C 0.806 176.955 176.300 -0.251 0.000 0.970 470 D CA 0.732 54.694 54.000 -0.064 0.000 0.889 470 D CB -0.016 40.708 40.800 -0.127 0.000 0.912 470 D HN 0.335 nan 8.370 nan 0.000 0.524 471 Y N -0.245 120.072 120.300 0.028 0.000 2.467 471 Y HA 0.312 4.866 4.550 0.008 0.000 0.250 471 Y C 0.673 176.592 175.900 0.032 0.000 1.155 471 Y CA -0.156 57.956 58.100 0.020 0.000 1.249 471 Y CB 0.654 39.109 38.460 -0.007 0.000 1.146 471 Y HN -0.223 nan 8.280 nan 0.000 0.524 472 L N 0.310 121.613 121.223 0.132 0.000 2.333 472 L HA 0.482 4.827 4.340 0.008 0.000 0.269 472 L C -0.302 176.607 176.870 0.066 0.000 1.010 472 L CA -0.973 53.926 54.840 0.099 0.000 0.818 472 L CB 1.810 43.925 42.059 0.095 0.000 1.306 472 L HN -0.115 nan 8.230 nan 0.000 0.430 473 E N 2.052 122.287 120.200 0.059 0.000 2.183 473 E HA 0.463 4.818 4.350 0.008 0.000 0.271 473 E C -0.865 175.768 176.600 0.056 0.000 0.919 473 E CA -0.637 55.793 56.400 0.050 0.000 0.781 473 E CB 2.845 32.570 29.700 0.043 0.000 1.140 473 E HN 0.390 nan 8.360 nan 0.000 0.402 474 I N 2.336 122.941 120.570 0.058 0.000 2.441 474 I HA 0.099 4.274 4.170 0.008 0.000 0.287 474 I C 0.610 176.773 176.117 0.076 0.000 1.049 474 I CA 0.103 61.444 61.300 0.068 0.000 1.381 474 I CB 0.584 38.624 38.000 0.067 0.000 1.409 474 I HN 0.086 nan 8.210 nan 0.000 0.523 475 K N 6.992 127.443 120.400 0.085 0.000 2.413 475 K HA 0.258 4.583 4.320 0.008 0.000 0.257 475 K C -1.469 175.217 176.600 0.142 0.000 0.946 475 K CA -0.656 55.685 56.287 0.090 0.000 0.823 475 K CB 1.204 33.736 32.500 0.054 0.000 1.109 475 K HN 0.453 nan 8.250 nan 0.000 0.427 476 Y N 5.761 126.072 120.300 0.018 0.000 2.341 476 Y HA 0.371 4.926 4.550 0.008 0.000 0.340 476 Y C -1.066 174.845 175.900 0.018 0.000 0.997 476 Y CA -0.794 57.316 58.100 0.017 0.000 1.149 476 Y CB 0.774 39.240 38.460 0.011 0.000 1.171 476 Y HN 0.549 nan 8.280 nan 0.000 0.494 477 M N 7.107 126.618 119.600 -0.149 0.000 2.294 477 M HA 0.355 4.839 4.480 0.008 0.000 0.335 477 M C -1.286 174.826 176.300 -0.312 0.000 1.079 477 M CA -0.642 54.491 55.300 -0.279 0.000 0.982 477 M CB 1.613 34.164 32.600 -0.082 0.000 1.651 477 M HN 0.796 nan 8.290 nan 0.000 0.437 478 C N 5.723 124.788 119.300 -0.391 0.000 2.316 478 C HA 0.685 5.150 4.460 0.008 0.000 0.324 478 C C -0.718 174.237 174.990 -0.058 0.000 1.226 478 C CA -0.575 58.348 59.018 -0.158 0.000 1.450 478 C CB -0.624 27.007 27.740 -0.182 0.000 2.123 478 C HN 0.818 nan 8.230 nan 0.000 0.454 479 I N 5.347 125.917 120.570 0.001 0.000 2.331 479 I HA 0.489 4.664 4.170 0.008 0.000 0.292 479 I C 1.063 177.184 176.117 0.006 0.000 0.998 479 I CA 0.463 61.761 61.300 -0.003 0.000 1.267 479 I CB 1.416 39.416 38.000 0.000 0.000 1.386 479 I HN 0.795 nan 8.210 nan 0.000 0.476 480 G N 7.039 115.837 108.800 -0.002 0.000 2.320 480 G HA2 0.606 4.571 3.960 0.008 0.000 0.300 480 G HA3 0.606 4.571 3.960 0.008 0.000 0.300 480 G C -0.231 174.663 174.900 -0.009 0.000 1.126 480 G CA -0.437 44.659 45.100 -0.006 0.000 0.896 480 G HN 0.445 nan 8.290 nan 0.000 0.436 481 L N 0.000 121.215 121.223 -0.013 0.000 2.949 481 L HA 0.000 4.345 4.340 0.008 0.000 0.249 481 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 481 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 481 L HN 0.000 nan 8.230 nan 0.000 0.502