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 2ezu_1_A DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG WIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.736 174.700 0.060 0.000 1.109 9 T CA 0.000 62.127 62.100 0.044 0.000 1.349 9 T CB 0.000 68.888 68.868 0.033 0.000 0.612 10 N N 0.236 118.973 118.700 0.061 0.000 2.328 10 N HA 0.795 5.535 4.740 -0.000 0.000 0.299 10 N C -1.555 174.001 175.510 0.077 0.000 1.179 10 N CA -0.721 52.370 53.050 0.070 0.000 0.793 10 N CB 2.885 41.403 38.487 0.051 0.000 1.366 10 N HN 0.392 nan 8.380 nan 0.000 0.493 11 I N 0.810 121.427 120.570 0.078 0.000 2.802 11 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 11 I C -1.340 174.782 176.117 0.009 0.000 1.176 11 I CA -0.835 60.496 61.300 0.051 0.000 1.025 11 I CB 1.545 39.595 38.000 0.082 0.000 1.243 11 I HN 0.369 nan 8.210 nan 0.000 0.424 12 L N 6.602 127.820 121.223 -0.008 0.000 2.455 12 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 12 L C 1.589 178.405 176.870 -0.091 0.000 1.174 12 L CA 0.171 55.002 54.840 -0.015 0.000 0.869 12 L CB 1.254 43.324 42.059 0.018 0.000 1.130 12 L HN 0.881 nan 8.230 nan 0.000 0.474 13 A N 3.735 126.502 122.820 -0.089 0.000 1.958 13 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 13 A C 2.140 179.593 177.584 -0.220 0.000 1.178 13 A CA 2.108 54.055 52.037 -0.150 0.000 0.642 13 A CB -0.965 17.975 19.000 -0.100 0.000 0.816 13 A HN 0.988 nan 8.150 nan 0.000 0.453 14 G N -0.897 107.778 108.800 -0.208 0.000 2.408 14 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 14 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 14 G C 1.722 176.473 174.900 -0.247 0.000 1.150 14 G CA 1.362 46.309 45.100 -0.254 0.000 0.776 14 G HN 0.826 nan 8.290 nan 0.000 0.542 15 A N 1.330 124.025 122.820 -0.209 0.000 1.877 15 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 15 A C 2.843 180.222 177.584 -0.341 0.000 1.186 15 A CA 2.299 54.212 52.037 -0.207 0.000 0.620 15 A CB -0.901 18.024 19.000 -0.126 0.000 0.822 15 A HN 0.791 nan 8.150 nan 0.000 0.443 16 A N -0.548 121.969 122.820 -0.505 0.000 1.908 16 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 16 A C 2.241 179.354 177.584 -0.784 0.000 1.181 16 A CA 1.914 53.337 52.037 -1.024 0.000 0.627 16 A CB -1.043 17.207 19.000 -1.250 0.000 0.818 16 A HN 0.421 nan 8.150 nan 0.000 0.445 17 V N 0.654 120.291 119.914 -0.462 0.000 2.332 17 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 17 V C 2.421 178.367 176.094 -0.247 0.000 1.055 17 V CA 1.904 64.020 62.300 -0.307 0.000 1.038 17 V CB -0.669 31.004 31.823 -0.250 0.000 0.651 17 V HN 0.543 nan 8.190 nan 0.000 0.450 18 I N -0.391 120.033 120.570 -0.244 0.000 2.315 18 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 18 I C 2.410 178.449 176.117 -0.130 0.000 1.117 18 I CA 1.347 62.543 61.300 -0.173 0.000 1.404 18 I CB -1.342 36.561 38.000 -0.162 0.000 1.071 18 I HN 0.299 nan 8.210 nan 0.000 0.419 19 K N 0.882 121.172 120.400 -0.182 0.000 2.097 19 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 19 K C 2.299 178.930 176.600 0.051 0.000 1.049 19 K CA 0.768 57.016 56.287 -0.066 0.000 0.933 19 K CB -0.866 31.592 32.500 -0.070 0.000 0.717 19 K HN 0.211 nan 8.250 nan 0.000 0.442 20 V N 1.883 121.785 119.914 -0.019 0.000 2.295 20 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 20 V C 2.427 178.663 176.094 0.237 0.000 1.049 20 V CA 1.472 63.879 62.300 0.179 0.000 1.024 20 V CB -0.475 31.411 31.823 0.104 0.000 0.648 20 V HN 0.188 nan 8.190 nan 0.000 0.447 21 L N -0.386 120.886 121.223 0.082 0.000 2.046 21 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 21 L C 2.575 179.504 176.870 0.099 0.000 1.077 21 L CA 1.802 56.684 54.840 0.070 0.000 0.747 21 L CB -0.717 41.324 42.059 -0.030 0.000 0.896 21 L HN 0.394 nan 8.230 nan 0.000 0.432 22 E N 0.263 120.497 120.200 0.057 0.000 2.077 22 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 22 E C 2.307 178.949 176.600 0.070 0.000 0.989 22 E CA 1.134 57.561 56.400 0.045 0.000 0.800 22 E CB -0.188 29.526 29.700 0.023 0.000 0.746 22 E HN 0.498 nan 8.360 nan 0.000 0.452 23 A N 0.428 123.307 122.820 0.099 0.000 1.972 23 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 23 A C 1.378 178.924 177.584 -0.062 0.000 1.169 23 A CA 0.875 52.923 52.037 0.017 0.000 0.635 23 A CB -0.782 18.233 19.000 0.025 0.000 0.810 23 A HN 0.360 nan 8.150 nan 0.000 0.446 24 W N -0.834 120.464 121.300 -0.004 0.000 3.180 24 W HA 0.366 5.026 4.660 -0.000 0.000 0.254 24 W C 1.551 178.045 176.519 -0.042 0.000 1.318 24 W CA 0.818 58.147 57.345 -0.027 0.000 1.608 24 W CB 0.027 29.479 29.460 -0.012 0.000 1.124 24 W HN 0.556 nan 8.180 nan 0.000 0.694 25 G N 0.110 108.981 108.800 0.118 0.000 2.136 25 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 25 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 25 G C -0.000 174.921 174.900 0.035 0.000 0.989 25 G CA -0.044 45.090 45.100 0.056 0.000 0.682 25 G HN 0.015 nan 8.290 nan 0.000 0.522 26 V N 0.877 120.812 119.914 0.035 0.000 2.450 26 V HA 0.224 4.344 4.120 -0.000 0.000 0.281 26 V C 1.505 177.559 176.094 -0.067 0.000 1.019 26 V CA 1.201 63.472 62.300 -0.048 0.000 1.062 26 V CB 1.200 32.990 31.823 -0.056 0.000 0.979 26 V HN 0.514 nan 8.190 nan 0.000 0.477 27 D N 3.286 123.621 120.400 -0.108 0.000 2.149 27 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 27 D C 0.769 177.097 176.300 0.048 0.000 0.967 27 D CA 0.927 54.931 54.000 0.007 0.000 0.848 27 D CB 0.334 41.189 40.800 0.091 0.000 0.998 27 D HN 0.811 nan 8.370 nan 0.000 0.474 28 H N -1.395 117.640 119.070 -0.059 0.000 2.980 28 H HA 0.561 5.117 4.556 -0.000 0.000 0.367 28 H C -0.775 174.382 175.328 -0.284 0.000 1.206 28 H CA -1.180 54.772 56.048 -0.161 0.000 1.126 28 H CB 1.145 30.766 29.762 -0.235 0.000 1.838 28 H HN 0.140 nan 8.280 nan 0.000 0.552 29 L N -0.831 120.241 121.223 -0.252 0.000 2.540 29 L HA 0.677 5.017 4.340 -0.000 0.000 0.256 29 L C -2.125 174.578 176.870 -0.279 0.000 1.001 29 L CA -1.129 53.555 54.840 -0.260 0.000 0.843 29 L CB 2.420 44.499 42.059 0.034 0.000 1.436 29 L HN 0.515 nan 8.230 nan 0.000 0.410 30 Y N 0.280 120.645 120.300 0.108 0.000 2.499 30 Y HA 0.982 5.532 4.550 -0.000 0.000 0.347 30 Y C 0.642 176.342 175.900 -0.334 0.000 0.987 30 Y CA -0.043 58.030 58.100 -0.046 0.000 1.044 30 Y CB 2.458 40.872 38.460 -0.078 0.000 1.245 30 Y HN 1.069 nan 8.280 nan 0.000 0.461 31 G N 1.079 109.707 108.800 -0.286 0.000 2.323 31 G HA2 0.467 4.427 3.960 -0.000 0.000 0.291 31 G HA3 0.467 4.427 3.960 -0.000 0.000 0.291 31 G C -2.245 172.453 174.900 -0.337 0.000 1.278 31 G CA -0.908 43.669 45.100 -0.870 0.000 0.860 31 G HN 0.504 nan 8.290 nan 0.000 0.504 32 I N 2.154 122.558 120.570 -0.276 0.000 2.569 32 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 32 I C -2.155 174.137 176.117 0.292 0.000 1.088 32 I CA -1.983 59.390 61.300 0.123 0.000 1.047 32 I CB 3.053 41.100 38.000 0.080 0.000 1.237 32 I HN 0.329 nan 8.210 nan 0.000 0.421 33 P HA 0.431 nan 4.420 nan 0.000 0.275 33 P C -0.448 176.952 177.300 0.166 0.000 1.266 33 P CA -0.099 63.154 63.100 0.256 0.000 0.793 33 P CB 1.273 33.063 31.700 0.151 0.000 1.074 34 G N -1.877 106.988 108.800 0.108 0.000 2.601 34 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 34 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 34 G C 0.703 175.640 174.900 0.060 0.000 1.456 34 G CA -0.092 45.063 45.100 0.093 0.000 0.804 34 G HN 0.483 nan 8.290 nan 0.000 0.499 35 G N 0.220 109.069 108.800 0.081 0.000 2.505 35 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 35 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 35 G C 2.066 176.971 174.900 0.009 0.000 1.145 35 G CA 2.424 47.563 45.100 0.065 0.000 0.761 35 G HN 1.625 nan 8.290 nan 0.000 0.571 36 S N -0.666 115.042 115.700 0.013 0.000 2.555 36 S HA 0.190 4.660 4.470 -0.000 0.000 0.230 36 S C 1.663 176.200 174.600 -0.104 0.000 0.978 36 S CA 0.758 58.937 58.200 -0.036 0.000 0.934 36 S CB 0.067 63.284 63.200 0.028 0.000 0.766 36 S HN 0.340 nan 8.310 nan 0.000 0.533 37 I N 0.378 120.879 120.570 -0.114 0.000 3.966 37 I HA 0.319 4.489 4.170 -0.000 0.000 0.324 37 I C 0.709 176.641 176.117 -0.308 0.000 1.517 37 I CA -0.125 61.042 61.300 -0.220 0.000 1.117 37 I CB 0.335 38.236 38.000 -0.166 0.000 1.190 37 I HN 0.014 nan 8.210 nan 0.000 0.466 38 N N 0.601 119.148 118.700 -0.254 0.000 2.396 38 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 38 N C 1.997 177.233 175.510 -0.457 0.000 1.028 38 N CA 1.510 54.433 53.050 -0.211 0.000 0.893 38 N CB 0.104 38.608 38.487 0.030 0.000 0.967 38 N HN 0.498 nan 8.380 nan 0.000 0.440 39 S N -0.133 114.979 115.700 -0.980 0.000 2.436 39 S HA 0.051 4.521 4.470 -0.000 0.000 0.228 39 S C 1.883 176.007 174.600 -0.795 0.000 1.014 39 S CA 0.216 57.513 58.200 -1.505 0.000 0.950 39 S CB -0.072 61.688 63.200 -2.400 0.000 0.784 39 S HN 0.045 nan 8.310 nan 0.000 0.504 40 I N 1.883 122.084 120.570 -0.615 0.000 2.252 40 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 40 I C 2.420 178.254 176.117 -0.472 0.000 1.102 40 I CA 1.167 62.162 61.300 -0.509 0.000 1.385 40 I CB -1.097 36.582 38.000 -0.535 0.000 1.064 40 I HN 0.311 nan 8.210 nan 0.000 0.414 41 M N 0.033 119.353 119.600 -0.468 0.000 2.108 41 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 41 M C 1.991 178.152 176.300 -0.232 0.000 1.066 41 M CA 1.609 56.682 55.300 -0.378 0.000 1.107 41 M CB -1.454 30.981 32.600 -0.275 0.000 1.356 41 M HN 0.160 nan 8.290 nan 0.000 0.406 42 D N 0.185 120.480 120.400 -0.175 0.000 2.097 42 D HA -0.065 4.575 4.640 -0.000 0.000 0.195 42 D C 1.942 178.199 176.300 -0.072 0.000 0.989 42 D CA 1.762 55.740 54.000 -0.036 0.000 0.827 42 D CB 0.053 40.943 40.800 0.150 0.000 0.966 42 D HN 0.294 nan 8.370 nan 0.000 0.456 43 A N 0.256 122.982 122.820 -0.156 0.000 1.902 43 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 43 A C 2.525 180.024 177.584 -0.141 0.000 1.181 43 A CA 1.038 52.986 52.037 -0.149 0.000 0.623 43 A CB -0.870 18.004 19.000 -0.211 0.000 0.818 43 A HN 0.336 nan 8.150 nan 0.000 0.443 44 L N -0.617 120.494 121.223 -0.187 0.000 2.042 44 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 44 L C 2.955 179.776 176.870 -0.082 0.000 1.076 44 L CA 1.626 56.372 54.840 -0.157 0.000 0.749 44 L CB -0.426 41.490 42.059 -0.239 0.000 0.893 44 L HN 0.521 nan 8.230 nan 0.000 0.432 45 S N -0.412 115.246 115.700 -0.069 0.000 2.370 45 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 45 S C 2.081 176.681 174.600 0.001 0.000 1.033 45 S CA 1.308 59.502 58.200 -0.010 0.000 1.011 45 S CB -0.134 63.066 63.200 0.000 0.000 0.852 45 S HN 0.462 nan 8.310 nan 0.000 0.457 46 A N 0.575 123.387 122.820 -0.013 0.000 2.070 46 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 46 A C 1.766 179.343 177.584 -0.012 0.000 1.159 46 A CA 1.230 53.264 52.037 -0.006 0.000 0.656 46 A CB -0.241 18.753 19.000 -0.010 0.000 0.800 46 A HN 0.506 nan 8.150 nan 0.000 0.453 47 E N -0.615 119.566 120.200 -0.031 0.000 2.499 47 E HA 0.019 4.369 4.350 -0.000 0.000 0.199 47 E C 1.545 178.111 176.600 -0.056 0.000 1.016 47 E CA 0.069 56.441 56.400 -0.046 0.000 0.933 47 E CB 0.052 29.708 29.700 -0.074 0.000 1.050 47 E HN 0.866 nan 8.360 nan 0.000 0.462 48 R N 0.102 120.594 120.500 -0.013 0.000 2.237 48 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 48 R C 0.642 176.965 176.300 0.039 0.000 1.080 48 R CA 1.076 57.187 56.100 0.018 0.000 0.995 48 R CB 0.012 30.363 30.300 0.086 0.000 0.875 48 R HN -0.160 nan 8.270 nan 0.000 0.462 49 D N 0.888 121.310 120.400 0.036 0.000 2.277 49 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 49 D C 1.499 177.830 176.300 0.052 0.000 0.962 49 D CA 0.868 54.920 54.000 0.087 0.000 0.865 49 D CB 0.171 41.008 40.800 0.063 0.000 0.939 49 D HN 0.412 nan 8.370 nan 0.000 0.510 50 R N -0.638 119.810 120.500 -0.086 0.000 2.287 50 R HA 0.381 4.721 4.340 -0.000 0.000 0.197 50 R C 0.600 176.710 176.300 -0.317 0.000 0.900 50 R CA 0.012 56.043 56.100 -0.115 0.000 1.052 50 R CB 1.653 31.922 30.300 -0.052 0.000 1.117 50 R HN 0.064 nan 8.270 nan 0.000 0.568 51 I N 1.229 121.495 120.570 -0.506 0.000 2.619 51 I HA 0.284 4.454 4.170 -0.000 0.000 0.292 51 I C -1.335 174.396 176.117 -0.643 0.000 1.100 51 I CA -0.986 60.001 61.300 -0.522 0.000 1.043 51 I CB 1.980 39.857 38.000 -0.205 0.000 1.239 51 I HN 0.104 nan 8.210 nan 0.000 0.420 52 H N 6.905 125.999 119.070 0.040 0.000 2.638 52 H HA 0.180 4.736 4.556 -0.000 0.000 0.303 52 H C -1.326 174.023 175.328 0.034 0.000 1.034 52 H CA -0.422 55.650 56.048 0.040 0.000 1.225 52 H CB 1.039 30.805 29.762 0.007 0.000 1.394 52 H HN 0.486 nan 8.280 nan 0.000 0.477 53 Y N 4.714 125.037 120.300 0.037 0.000 2.359 53 Y HA 0.195 4.745 4.550 -0.000 0.000 0.334 53 Y C -0.660 175.219 175.900 -0.035 0.000 1.058 53 Y CA -0.892 57.224 58.100 0.026 0.000 1.244 53 Y CB 0.493 39.010 38.460 0.095 0.000 1.187 53 Y HN 0.425 nan 8.280 nan 0.000 0.510 54 I N 7.588 127.758 120.570 -0.667 0.000 2.330 54 I HA 0.164 4.334 4.170 -0.000 0.000 0.286 54 I C -0.177 175.493 176.117 -0.745 0.000 1.025 54 I CA -0.603 60.214 61.300 -0.805 0.000 1.197 54 I CB 1.151 38.771 38.000 -0.634 0.000 1.358 54 I HN 0.632 nan 8.210 nan 0.000 0.467 55 Q N 7.134 126.556 119.800 -0.630 0.000 2.307 55 Q HA 0.330 4.670 4.340 -0.000 0.000 0.259 55 Q C -0.696 175.336 176.000 0.055 0.000 0.998 55 Q CA -0.208 55.454 55.803 -0.236 0.000 0.923 55 Q CB 1.517 30.246 28.738 -0.014 0.000 1.196 55 Q HN 0.606 nan 8.270 nan 0.000 0.416 56 V N 2.918 122.865 119.914 0.056 0.000 3.234 56 V HA 0.508 4.628 4.120 -0.000 0.000 0.317 56 V C 0.675 176.820 176.094 0.085 0.000 1.081 56 V CA -0.691 61.657 62.300 0.080 0.000 1.037 56 V CB 1.477 33.330 31.823 0.051 0.000 1.148 56 V HN 0.717 nan 8.190 nan 0.000 0.453 57 R N -0.461 120.091 120.500 0.087 0.000 2.290 57 R HA 0.321 4.661 4.340 -0.000 0.000 0.197 57 R C 0.202 176.578 176.300 0.127 0.000 0.913 57 R CA 0.396 56.551 56.100 0.092 0.000 1.040 57 R CB -0.484 29.862 30.300 0.077 0.000 0.992 57 R HN 0.939 nan 8.270 nan 0.000 0.500 58 H N -0.030 119.039 119.070 -0.001 0.000 2.947 58 H HA 0.181 4.737 4.556 -0.000 0.000 0.354 58 H C -0.210 175.093 175.328 -0.041 0.000 1.085 58 H CA -0.214 55.814 56.048 -0.034 0.000 1.253 58 H CB 1.704 31.396 29.762 -0.117 0.000 1.757 58 H HN -0.212 nan 8.280 nan 0.000 0.523 59 E N 2.209 122.460 120.200 0.086 0.000 2.265 59 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 59 E C 1.759 178.449 176.600 0.150 0.000 0.996 59 E CA 1.336 57.798 56.400 0.105 0.000 0.832 59 E CB 0.178 29.938 29.700 0.100 0.000 0.756 59 E HN 0.781 nan 8.360 nan 0.000 0.491 60 E N 0.540 120.920 120.200 0.300 0.000 2.153 60 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 60 E C 1.801 178.401 176.600 0.000 0.000 0.988 60 E CA 1.273 57.742 56.400 0.115 0.000 0.811 60 E CB -0.209 29.498 29.700 0.013 0.000 0.746 60 E HN 0.122 nan 8.360 nan 0.000 0.466 61 V N 1.586 121.488 119.914 -0.020 0.000 2.427 61 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 61 V C 2.512 178.492 176.094 -0.190 0.000 1.051 61 V CA 1.823 64.066 62.300 -0.095 0.000 1.048 61 V CB -0.813 30.970 31.823 -0.067 0.000 0.666 61 V HN 0.553 nan 8.190 nan 0.000 0.456 62 G N -0.162 108.554 108.800 -0.141 0.000 2.446 62 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 62 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 62 G C 1.767 176.535 174.900 -0.220 0.000 1.168 62 G CA 1.089 46.063 45.100 -0.209 0.000 0.771 62 G HN 0.598 nan 8.290 nan 0.000 0.551 63 A N 0.319 123.085 122.820 -0.091 0.000 1.898 63 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 63 A C 2.467 180.000 177.584 -0.085 0.000 1.181 63 A CA 1.713 53.720 52.037 -0.050 0.000 0.620 63 A CB -0.331 18.677 19.000 0.013 0.000 0.819 63 A HN 0.377 nan 8.150 nan 0.000 0.442 64 M N -0.570 118.971 119.600 -0.099 0.000 2.117 64 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 64 M C 2.518 178.726 176.300 -0.154 0.000 1.065 64 M CA 1.490 56.736 55.300 -0.090 0.000 1.114 64 M CB -0.342 32.217 32.600 -0.068 0.000 1.361 64 M HN 0.484 nan 8.290 nan 0.000 0.408 65 A N 0.172 122.797 122.820 -0.325 0.000 1.933 65 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 65 A C 2.326 179.738 177.584 -0.286 0.000 1.175 65 A CA 1.795 53.554 52.037 -0.463 0.000 0.628 65 A CB -0.912 17.462 19.000 -1.043 0.000 0.814 65 A HN 0.505 nan 8.150 nan 0.000 0.444 66 A N 0.018 122.701 122.820 -0.228 0.000 1.902 66 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 66 A C 2.518 180.114 177.584 0.019 0.000 1.181 66 A CA 2.177 54.259 52.037 0.075 0.000 0.623 66 A CB -1.067 17.992 19.000 0.100 0.000 0.818 66 A HN 1.069 nan 8.150 nan 0.000 0.443 67 A N -0.133 122.669 122.820 -0.030 0.000 1.883 67 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 67 A C 2.524 180.104 177.584 -0.006 0.000 1.186 67 A CA 2.316 54.337 52.037 -0.027 0.000 0.624 67 A CB -1.070 17.910 19.000 -0.034 0.000 0.822 67 A HN 1.106 nan 8.150 nan 0.000 0.444 68 A N -0.291 122.530 122.820 0.001 0.000 1.902 68 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 68 A C 1.809 179.441 177.584 0.080 0.000 1.181 68 A CA 1.798 53.854 52.037 0.032 0.000 0.623 68 A CB -0.635 18.380 19.000 0.025 0.000 0.818 68 A HN 0.471 nan 8.150 nan 0.000 0.443 69 D N 0.194 120.662 120.400 0.114 0.000 2.126 69 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 69 D C 2.237 178.594 176.300 0.095 0.000 1.001 69 D CA 1.939 56.030 54.000 0.152 0.000 0.841 69 D CB -0.403 40.501 40.800 0.174 0.000 0.949 69 D HN 0.430 nan 8.370 nan 0.000 0.446 70 A N 0.887 123.738 122.820 0.052 0.000 1.898 70 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 70 A C 2.072 179.687 177.584 0.051 0.000 1.181 70 A CA 1.467 53.525 52.037 0.034 0.000 0.620 70 A CB -0.342 18.648 19.000 -0.017 0.000 0.819 70 A HN 0.177 nan 8.150 nan 0.000 0.442 71 K N -0.365 120.055 120.400 0.033 0.000 2.113 71 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 71 K C 1.784 178.421 176.600 0.062 0.000 1.047 71 K CA 1.561 57.861 56.287 0.023 0.000 0.928 71 K CB -0.389 32.109 32.500 -0.003 0.000 0.716 71 K HN 0.472 nan 8.250 nan 0.000 0.446 72 L N -0.018 121.271 121.223 0.110 0.000 2.102 72 L HA -0.092 4.248 4.340 -0.000 0.000 0.202 72 L C 2.562 179.562 176.870 0.218 0.000 1.076 72 L CA 1.467 56.418 54.840 0.186 0.000 0.761 72 L CB -0.364 41.874 42.059 0.297 0.000 0.921 72 L HN 0.329 nan 8.230 nan 0.000 0.444 73 T N -5.018 109.638 114.554 0.170 0.000 2.990 73 T HA 0.267 4.617 4.350 -0.000 0.000 0.250 73 T C 1.490 176.267 174.700 0.129 0.000 1.041 73 T CA 0.497 62.684 62.100 0.145 0.000 1.010 73 T CB 0.862 69.775 68.868 0.075 0.000 1.003 73 T HN 0.394 nan 8.240 nan 0.000 0.499 74 G N 1.579 110.456 108.800 0.129 0.000 2.184 74 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.264 74 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.264 74 G C 0.015 175.048 174.900 0.221 0.000 0.975 74 G CA 0.484 45.681 45.100 0.163 0.000 0.642 74 G HN 0.918 nan 8.290 nan 0.000 0.536 75 K N 0.907 121.398 120.400 0.152 0.000 2.172 75 K HA 0.631 4.951 4.320 -0.000 0.000 0.276 75 K C 0.763 177.365 176.600 0.004 0.000 1.013 75 K CA -1.024 55.359 56.287 0.160 0.000 0.913 75 K CB 0.680 33.225 32.500 0.076 0.000 1.055 75 K HN 0.402 nan 8.250 nan 0.000 0.461 76 I N 3.865 124.320 120.570 -0.192 0.000 2.826 76 I HA 0.035 4.205 4.170 -0.000 0.000 0.295 76 I C 0.405 176.395 176.117 -0.211 0.000 1.213 76 I CA 0.749 61.787 61.300 -0.437 0.000 1.436 76 I CB 0.182 37.692 38.000 -0.817 0.000 1.348 76 I HN 0.840 nan 8.210 nan 0.000 0.570 77 G N 6.220 114.931 108.800 -0.147 0.000 2.476 77 G HA2 0.532 4.492 3.960 -0.000 0.000 0.286 77 G HA3 0.532 4.492 3.960 -0.000 0.000 0.286 77 G C -1.102 173.765 174.900 -0.054 0.000 1.177 77 G CA -0.470 44.599 45.100 -0.052 0.000 0.870 77 G HN 0.546 nan 8.290 nan 0.000 0.528 78 V N 0.392 120.320 119.914 0.024 0.000 2.623 78 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 78 V C 0.116 176.307 176.094 0.162 0.000 1.054 78 V CA -0.753 61.566 62.300 0.031 0.000 0.882 78 V CB 0.916 32.725 31.823 -0.022 0.000 1.002 78 V HN 1.259 nan 8.190 nan 0.000 0.424 79 C N 3.526 122.913 119.300 0.144 0.000 3.236 79 C HA 1.025 5.485 4.460 -0.000 0.000 0.312 79 C C -0.970 174.136 174.990 0.194 0.000 1.374 79 C CA -1.015 58.102 59.018 0.165 0.000 1.455 79 C CB 1.371 29.168 27.740 0.096 0.000 1.834 79 C HN 1.072 nan 8.230 nan 0.000 0.460 80 F N -0.550 119.441 119.950 0.068 0.000 2.686 80 F HA 0.930 5.457 4.527 -0.000 0.000 0.311 80 F C -0.349 175.476 175.800 0.042 0.000 1.128 80 F CA -0.243 57.763 58.000 0.011 0.000 0.946 80 F CB 1.375 40.357 39.000 -0.029 0.000 1.336 80 F HN 1.176 nan 8.300 nan 0.000 0.457 81 G N 0.517 109.458 108.800 0.235 0.000 2.706 81 G HA2 0.539 4.499 3.960 -0.000 0.000 0.297 81 G HA3 0.539 4.499 3.960 -0.000 0.000 0.297 81 G C -1.381 173.632 174.900 0.189 0.000 1.403 81 G CA -0.603 44.592 45.100 0.157 0.000 0.954 81 G HN 1.050 nan 8.290 nan 0.000 0.500 82 S N 0.392 116.187 115.700 0.158 0.000 2.596 82 S HA 0.621 5.091 4.470 -0.000 0.000 0.260 82 S C 0.995 175.633 174.600 0.064 0.000 1.336 82 S CA 0.144 58.406 58.200 0.103 0.000 0.993 82 S CB 1.047 64.304 63.200 0.095 0.000 0.923 82 S HN 1.887 nan 8.310 nan 0.000 0.567 83 A N 0.940 123.789 122.820 0.048 0.000 2.555 83 A HA 0.522 4.842 4.320 -0.000 0.000 0.233 83 A C 1.500 179.090 177.584 0.011 0.000 1.060 83 A CA 0.306 52.367 52.037 0.042 0.000 0.759 83 A CB -1.441 17.591 19.000 0.055 0.000 0.995 83 A HN 2.426 nan 8.150 nan 0.000 0.506 84 G N 2.097 110.906 108.800 0.016 0.000 2.557 84 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 84 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 84 G C -0.676 174.203 174.900 -0.035 0.000 1.162 84 G CA 0.373 45.455 45.100 -0.029 0.000 0.964 84 G HN 0.849 nan 8.290 nan 0.000 0.541 85 P HA -0.020 nan 4.420 nan 0.000 0.220 85 P C 1.913 179.090 177.300 -0.204 0.000 1.148 85 P CA 2.518 65.503 63.100 -0.191 0.000 0.803 85 P CB -0.681 30.880 31.700 -0.232 0.000 0.782 86 G N 0.499 109.255 108.800 -0.073 0.000 2.404 86 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 86 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 86 G C 1.865 176.812 174.900 0.078 0.000 1.174 86 G CA 0.924 46.026 45.100 0.003 0.000 0.780 86 G HN 0.366 nan 8.290 nan 0.000 0.537 87 G N 0.564 109.431 108.800 0.112 0.000 2.404 87 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 87 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 87 G C 2.014 177.089 174.900 0.291 0.000 1.174 87 G CA 2.175 47.406 45.100 0.218 0.000 0.780 87 G HN 0.574 nan 8.290 nan 0.000 0.537 88 T N -2.201 112.460 114.554 0.178 0.000 2.929 88 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 88 T C 1.910 176.733 174.700 0.205 0.000 1.085 88 T CA 1.502 63.675 62.100 0.121 0.000 1.125 88 T CB -0.638 68.239 68.868 0.014 0.000 0.874 88 T HN 0.544 nan 8.240 nan 0.000 0.494 89 H N 0.439 119.568 119.070 0.099 0.000 2.521 89 H HA 0.190 4.746 4.556 -0.000 0.000 0.286 89 H C 1.869 177.298 175.328 0.168 0.000 1.034 89 H CA 0.582 56.705 56.048 0.124 0.000 1.278 89 H CB -0.109 29.651 29.762 -0.004 0.000 1.386 89 H HN 0.326 nan 8.280 nan 0.000 0.567 90 L N -0.188 121.196 121.223 0.270 0.000 2.291 90 L HA -0.169 4.171 4.340 -0.000 0.000 0.214 90 L C 2.170 179.157 176.870 0.194 0.000 1.120 90 L CA 0.062 55.019 54.840 0.195 0.000 0.799 90 L CB -0.180 41.978 42.059 0.165 0.000 0.925 90 L HN 0.339 nan 8.230 nan 0.000 0.446 91 M N 0.071 119.814 119.600 0.239 0.000 2.089 91 M HA -0.257 4.223 4.480 -0.000 0.000 0.257 91 M C 1.939 178.412 176.300 0.288 0.000 1.071 91 M CA 1.838 57.306 55.300 0.279 0.000 1.096 91 M CB -1.422 31.343 32.600 0.275 0.000 1.330 91 M HN 0.270 nan 8.290 nan 0.000 0.403 92 N N 0.035 118.887 118.700 0.254 0.000 2.223 92 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 92 N C 1.751 177.399 175.510 0.230 0.000 1.016 92 N CA 1.565 54.811 53.050 0.327 0.000 0.863 92 N CB -0.578 38.069 38.487 0.266 0.000 0.983 92 N HN 0.509 nan 8.380 nan 0.000 0.429 93 G N 0.139 109.014 108.800 0.126 0.000 2.408 93 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 93 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 93 G C 1.407 176.306 174.900 -0.003 0.000 1.156 93 G CA 0.212 45.343 45.100 0.053 0.000 0.793 93 G HN 0.192 nan 8.290 nan 0.000 0.535 94 L N -1.042 120.177 121.223 -0.007 0.000 2.056 94 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 94 L C 2.607 179.320 176.870 -0.263 0.000 1.078 94 L CA 0.855 55.631 54.840 -0.106 0.000 0.749 94 L CB -0.545 41.468 42.059 -0.077 0.000 0.901 94 L HN 0.135 nan 8.230 nan 0.000 0.433 95 Y N 0.420 120.516 120.300 -0.341 0.000 2.224 95 Y HA -0.282 4.268 4.550 -0.000 0.000 0.289 95 Y C 2.436 177.925 175.900 -0.685 0.000 1.146 95 Y CA 1.738 59.401 58.100 -0.730 0.000 1.182 95 Y CB -0.299 37.265 38.460 -1.494 0.000 0.983 95 Y HN 0.250 nan 8.280 nan 0.000 0.524 96 D N -0.331 119.906 120.400 -0.271 0.000 2.117 96 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 96 D C 2.206 178.471 176.300 -0.058 0.000 0.987 96 D CA 1.414 55.404 54.000 -0.017 0.000 0.829 96 D CB -0.223 40.639 40.800 0.103 0.000 0.961 96 D HN 0.248 nan 8.370 nan 0.000 0.460 97 A N 0.225 122.988 122.820 -0.095 0.000 1.930 97 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 97 A C 2.275 179.803 177.584 -0.092 0.000 1.175 97 A CA 1.527 53.509 52.037 -0.091 0.000 0.627 97 A CB -0.584 18.361 19.000 -0.092 0.000 0.815 97 A HN 0.239 nan 8.150 nan 0.000 0.443 98 R N -0.425 119.993 120.500 -0.136 0.000 2.062 98 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 98 R C 1.856 178.143 176.300 -0.021 0.000 1.136 98 R CA 1.580 57.619 56.100 -0.102 0.000 0.948 98 R CB -0.228 29.952 30.300 -0.200 0.000 0.845 98 R HN 0.408 nan 8.270 nan 0.000 0.430 99 E N 0.675 120.861 120.200 -0.023 0.000 2.150 99 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 99 E C 1.040 177.677 176.600 0.062 0.000 0.985 99 E CA 1.093 57.532 56.400 0.065 0.000 0.814 99 E CB -0.129 29.648 29.700 0.129 0.000 0.752 99 E HN 0.394 nan 8.360 nan 0.000 0.466 100 D N -0.175 120.196 120.400 -0.048 0.000 2.328 100 D HA -0.008 4.631 4.640 -0.000 0.000 0.221 100 D C -0.441 175.494 176.300 -0.608 0.000 1.072 100 D CA 0.176 54.018 54.000 -0.264 0.000 0.850 100 D CB -0.532 40.161 40.800 -0.179 0.000 0.922 100 D HN 0.362 nan 8.370 nan 0.000 0.516 101 H N -2.175 116.903 119.070 0.014 0.000 2.592 101 H HA -0.143 4.413 4.556 0.000 0.000 0.323 101 H C -0.686 174.654 175.328 0.020 0.000 1.117 101 H CA 0.293 56.351 56.048 0.017 0.000 1.120 101 H CB -2.640 27.140 29.762 0.031 0.000 1.561 101 H HN 0.003 nan 8.280 nan 0.000 0.409 102 V N -2.593 117.308 119.914 -0.023 0.000 2.769 102 V HA 0.759 4.879 4.120 -0.000 0.000 0.312 102 V C -2.389 173.681 176.094 -0.040 0.000 1.061 102 V CA -2.523 59.767 62.300 -0.017 0.000 0.931 102 V CB 2.587 34.379 31.823 -0.052 0.000 1.010 102 V HN 0.267 nan 8.190 nan 0.000 0.433 103 P HA 0.354 nan 4.420 nan 0.000 0.276 103 P C -0.804 176.365 177.300 -0.218 0.000 1.253 103 P CA 0.037 63.023 63.100 -0.191 0.000 0.766 103 P CB 1.432 32.904 31.700 -0.380 0.000 0.845 104 V N 5.194 124.997 119.914 -0.185 0.000 2.638 104 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 104 V C -0.120 175.875 176.094 -0.165 0.000 1.052 104 V CA -0.868 61.339 62.300 -0.155 0.000 0.885 104 V CB 2.256 34.021 31.823 -0.097 0.000 0.999 104 V HN 0.387 nan 8.190 nan 0.000 0.424 105 L N 4.639 125.763 121.223 -0.165 0.000 2.282 105 L HA 0.908 5.248 4.340 -0.000 0.000 0.288 105 L C 0.113 176.932 176.870 -0.086 0.000 1.033 105 L CA -0.008 54.744 54.840 -0.146 0.000 0.807 105 L CB 1.184 43.132 42.059 -0.186 0.000 1.209 105 L HN 0.784 nan 8.230 nan 0.000 0.423 106 A N 6.653 129.418 122.820 -0.092 0.000 2.304 106 A HA 0.715 5.035 4.320 -0.000 0.000 0.314 106 A C -1.127 176.394 177.584 -0.105 0.000 1.187 106 A CA -0.572 51.419 52.037 -0.077 0.000 0.810 106 A CB 0.558 19.487 19.000 -0.118 0.000 1.183 106 A HN 0.719 nan 8.150 nan 0.000 0.487 107 L N 3.646 124.848 121.223 -0.034 0.000 2.295 107 L HA 0.519 4.859 4.340 -0.000 0.000 0.285 107 L C -0.718 176.120 176.870 -0.053 0.000 1.035 107 L CA -0.731 54.068 54.840 -0.069 0.000 0.806 107 L CB 1.336 43.352 42.059 -0.070 0.000 1.214 107 L HN 0.470 nan 8.230 nan 0.000 0.426 108 I N 2.227 122.718 120.570 -0.133 0.000 2.406 108 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 108 I C 0.839 176.915 176.117 -0.069 0.000 0.999 108 I CA -0.343 60.889 61.300 -0.112 0.000 1.124 108 I CB 1.300 39.156 38.000 -0.240 0.000 1.289 108 I HN 0.598 nan 8.210 nan 0.000 0.441 109 G N 4.531 113.319 108.800 -0.020 0.000 2.559 109 G HA2 0.286 4.246 3.960 -0.000 0.000 0.235 109 G HA3 0.286 4.246 3.960 -0.000 0.000 0.235 109 G C -0.406 174.487 174.900 -0.010 0.000 1.266 109 G CA 0.133 45.213 45.100 -0.034 0.000 0.847 109 G HN 0.602 nan 8.290 nan 0.000 0.583 110 Q N 0.047 119.839 119.800 -0.014 0.000 2.353 110 Q HA 0.468 4.808 4.340 -0.000 0.000 0.275 110 Q C -0.948 175.094 176.000 0.069 0.000 1.029 110 Q CA -0.907 54.922 55.803 0.043 0.000 0.848 110 Q CB 1.299 30.055 28.738 0.031 0.000 1.390 110 Q HN 0.459 nan 8.270 nan 0.000 0.401 111 F N 1.698 121.652 119.950 0.005 0.000 2.626 111 F HA 0.399 4.926 4.527 -0.000 0.000 0.354 111 F C 1.246 177.058 175.800 0.021 0.000 1.168 111 F CA 1.729 59.745 58.000 0.027 0.000 1.368 111 F CB 0.581 39.603 39.000 0.037 0.000 1.092 111 F HN 0.657 nan 8.300 nan 0.000 0.612 112 G N 2.518 111.205 108.800 -0.187 0.000 2.559 112 G HA2 0.146 4.106 3.960 -0.000 0.000 0.235 112 G HA3 0.146 4.106 3.960 -0.000 0.000 0.235 112 G C 0.894 175.904 174.900 0.184 0.000 1.266 112 G CA 0.010 45.099 45.100 -0.019 0.000 0.847 112 G HN 0.944 nan 8.290 nan 0.000 0.583 113 T N -1.915 112.704 114.554 0.108 0.000 2.881 113 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 113 T C 2.295 177.072 174.700 0.127 0.000 1.068 113 T CA 2.025 64.188 62.100 0.105 0.000 1.131 113 T CB -0.613 68.291 68.868 0.061 0.000 0.871 113 T HN 0.722 nan 8.240 nan 0.000 0.479 114 T N -1.560 113.083 114.554 0.149 0.000 3.055 114 T HA 0.252 4.602 4.350 -0.000 0.000 0.265 114 T C 2.033 176.851 174.700 0.196 0.000 1.111 114 T CA 0.733 62.920 62.100 0.144 0.000 1.118 114 T CB -0.460 68.484 68.868 0.127 0.000 0.909 114 T HN 0.497 nan 8.240 nan 0.000 0.501 115 G N 0.271 109.279 108.800 0.347 0.000 2.850 115 G HA2 0.365 4.325 3.960 -0.000 0.000 0.211 115 G HA3 0.365 4.325 3.960 -0.000 0.000 0.211 115 G C 0.432 175.331 174.900 -0.001 0.000 1.124 115 G CA -0.611 44.615 45.100 0.210 0.000 0.769 115 G HN 0.418 nan 8.290 nan 0.000 0.535 116 M N 1.581 121.267 119.600 0.143 0.000 2.251 116 M HA 0.069 4.549 4.480 -0.000 0.000 0.343 116 M C 0.561 176.861 176.300 -0.000 0.000 1.245 116 M CA 0.392 55.728 55.300 0.059 0.000 1.061 116 M CB 0.248 32.902 32.600 0.089 0.000 1.723 116 M HN 0.187 nan 8.290 nan 0.000 0.449 117 N N 0.744 119.427 118.700 -0.027 0.000 2.828 117 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 117 N C 0.081 175.563 175.510 -0.047 0.000 1.044 117 N CA 0.934 53.965 53.050 -0.030 0.000 0.851 117 N CB -0.746 37.736 38.487 -0.009 0.000 1.136 117 N HN 0.628 nan 8.380 nan 0.000 0.572 118 M N 0.395 119.944 119.600 -0.085 0.000 2.495 118 M HA 0.056 4.536 4.480 -0.000 0.000 0.237 118 M C -0.192 176.048 176.300 -0.101 0.000 1.131 118 M CA 0.468 55.713 55.300 -0.091 0.000 1.032 118 M CB -0.601 31.928 32.600 -0.119 0.000 1.513 118 M HN -0.002 nan 8.290 nan 0.000 0.488 119 D N 1.647 121.981 120.400 -0.109 0.000 2.746 119 D HA -0.142 4.498 4.640 -0.000 0.000 0.241 119 D C 0.432 176.662 176.300 -0.117 0.000 1.140 119 D CA 0.865 54.807 54.000 -0.097 0.000 0.707 119 D CB -1.048 39.717 40.800 -0.058 0.000 1.034 119 D HN 0.303 nan 8.370 nan 0.000 0.423 120 T N -1.091 113.339 114.554 -0.207 0.000 2.888 120 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 120 T C -0.036 174.603 174.700 -0.101 0.000 1.013 120 T CA -0.715 61.258 62.100 -0.212 0.000 0.938 120 T CB 0.672 69.250 68.868 -0.484 0.000 1.298 120 T HN 0.084 nan 8.240 nan 0.000 0.580 121 F N 1.876 121.743 119.950 -0.139 0.000 2.578 121 F HA 0.199 4.726 4.527 0.000 0.000 0.376 121 F C 1.394 177.205 175.800 0.018 0.000 1.085 121 F CA 0.401 58.386 58.000 -0.025 0.000 1.260 121 F CB -0.211 38.813 39.000 0.040 0.000 1.095 121 F HN 0.807 nan 8.300 nan 0.000 0.573 122 Q N 1.653 121.020 119.800 -0.721 0.000 2.436 122 Q HA -0.303 4.037 4.340 -0.000 0.000 0.264 122 Q C -0.354 175.544 176.000 -0.170 0.000 1.093 122 Q CA 1.188 56.704 55.803 -0.479 0.000 0.994 122 Q CB -1.022 27.407 28.738 -0.514 0.000 1.434 122 Q HN 0.678 nan 8.270 nan 0.000 0.520 123 E N 0.945 121.064 120.200 -0.134 0.000 2.171 123 E HA 0.565 4.915 4.350 -0.000 0.000 0.271 123 E C -0.354 176.203 176.600 -0.071 0.000 0.916 123 E CA -0.311 56.044 56.400 -0.075 0.000 0.774 123 E CB 0.907 30.503 29.700 -0.175 0.000 1.128 123 E HN 0.337 nan 8.360 nan 0.000 0.403 124 M N 2.272 121.853 119.600 -0.032 0.000 2.833 124 M HA 0.385 4.864 4.480 -0.000 0.000 0.270 124 M C -1.067 175.231 176.300 -0.002 0.000 1.209 124 M CA -1.061 54.222 55.300 -0.028 0.000 0.826 124 M CB 1.156 33.735 32.600 -0.034 0.000 1.657 124 M HN 0.157 nan 8.290 nan 0.000 0.492 125 N N 1.809 120.507 118.700 -0.004 0.000 2.406 125 N HA 0.083 4.823 4.740 -0.000 0.000 0.274 125 N C 0.005 175.527 175.510 0.021 0.000 1.249 125 N CA 0.607 53.662 53.050 0.008 0.000 0.951 125 N CB 0.304 38.792 38.487 0.001 0.000 1.241 125 N HN 0.744 nan 8.380 nan 0.000 0.485 126 E N 2.024 122.254 120.200 0.049 0.000 2.385 126 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 126 E C 1.160 177.854 176.600 0.156 0.000 1.013 126 E CA -0.037 56.427 56.400 0.106 0.000 0.866 126 E CB 0.099 29.885 29.700 0.143 0.000 0.832 126 E HN 0.630 nan 8.360 nan 0.000 0.500 127 N N 1.442 120.199 118.700 0.095 0.000 2.069 127 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 127 N C -0.974 174.579 175.510 0.072 0.000 1.031 127 N CA 1.221 54.323 53.050 0.087 0.000 0.852 127 N CB -0.421 38.081 38.487 0.023 0.000 1.018 127 N HN 0.083 nan 8.380 nan 0.000 0.423 128 P HA -0.001 nan 4.420 nan 0.000 0.226 128 P C 1.367 178.635 177.300 -0.054 0.000 1.153 128 P CA 0.691 63.786 63.100 -0.007 0.000 0.777 128 P CB -0.041 31.650 31.700 -0.015 0.000 0.794 129 I N -2.361 118.139 120.570 -0.117 0.000 2.394 129 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 129 I C 1.339 177.144 176.117 -0.519 0.000 1.136 129 I CA 1.589 62.674 61.300 -0.359 0.000 1.425 129 I CB -0.493 37.157 38.000 -0.583 0.000 1.079 129 I HN -0.017 nan 8.210 nan 0.000 0.425 130 Y N -0.105 120.190 120.300 -0.007 0.000 2.467 130 Y HA 0.379 4.929 4.550 -0.000 0.000 0.250 130 Y C 2.225 178.097 175.900 -0.047 0.000 1.155 130 Y CA 0.169 58.250 58.100 -0.032 0.000 1.249 130 Y CB -0.281 38.148 38.460 -0.052 0.000 1.146 130 Y HN -0.009 nan 8.280 nan 0.000 0.524 131 A N 0.284 123.130 122.820 0.045 0.000 1.933 131 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 131 A C 1.814 179.406 177.584 0.014 0.000 1.175 131 A CA 2.308 54.360 52.037 0.024 0.000 0.628 131 A CB -0.551 18.456 19.000 0.013 0.000 0.814 131 A HN 0.452 nan 8.150 nan 0.000 0.444 132 D N -1.217 119.195 120.400 0.019 0.000 2.137 132 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 132 D C 1.666 177.937 176.300 -0.048 0.000 0.970 132 D CA 1.246 55.266 54.000 0.033 0.000 0.837 132 D CB -0.019 40.851 40.800 0.117 0.000 0.981 132 D HN 0.092 nan 8.370 nan 0.000 0.475 133 V N -0.277 119.533 119.914 -0.174 0.000 2.871 133 V HA 0.282 4.402 4.120 -0.000 0.000 0.256 133 V C 0.716 176.663 176.094 -0.244 0.000 1.082 133 V CA 0.927 62.937 62.300 -0.484 0.000 1.105 133 V CB -0.276 31.039 31.823 -0.846 0.000 0.713 133 V HN 0.324 nan 8.190 nan 0.000 0.473 134 A N -0.253 122.507 122.820 -0.100 0.000 2.305 134 A HA 0.384 4.704 4.320 -0.000 0.000 0.322 134 A C 0.753 178.338 177.584 0.001 0.000 1.187 134 A CA 0.185 52.196 52.037 -0.043 0.000 0.825 134 A CB 0.984 19.980 19.000 -0.006 0.000 1.164 134 A HN 0.436 nan 8.150 nan 0.000 0.498 135 D N 0.120 120.543 120.400 0.037 0.000 2.183 135 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 135 D C -0.199 176.216 176.300 0.192 0.000 0.969 135 D CA 1.434 55.495 54.000 0.103 0.000 0.842 135 D CB 0.034 40.920 40.800 0.142 0.000 0.957 135 D HN 0.476 nan 8.370 nan 0.000 0.484 136 Y N -0.039 120.263 120.300 0.002 0.000 2.421 136 Y HA 0.495 5.045 4.550 -0.000 0.000 0.339 136 Y C -1.695 174.190 175.900 -0.025 0.000 0.996 136 Y CA -1.519 56.579 58.100 -0.004 0.000 1.046 136 Y CB 1.445 39.892 38.460 -0.021 0.000 1.226 136 Y HN -0.175 nan 8.280 nan 0.000 0.445 137 N N 4.939 123.412 118.700 -0.377 0.000 2.653 137 N HA 0.485 5.225 4.740 -0.000 0.000 0.261 137 N C -2.298 172.998 175.510 -0.356 0.000 1.216 137 N CA -0.358 52.525 53.050 -0.279 0.000 0.784 137 N CB 1.067 39.502 38.487 -0.087 0.000 1.327 137 N HN 0.537 nan 8.380 nan 0.000 0.539 138 V N -0.066 119.591 119.914 -0.428 0.000 2.876 138 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 138 V C -0.176 175.807 176.094 -0.185 0.000 1.085 138 V CA -0.639 61.466 62.300 -0.325 0.000 0.945 138 V CB 1.672 33.229 31.823 -0.443 0.000 1.017 138 V HN 0.373 nan 8.190 nan 0.000 0.428 139 T N 3.747 118.234 114.554 -0.112 0.000 2.744 139 T HA 0.711 5.061 4.350 -0.000 0.000 0.291 139 T C 0.403 175.071 174.700 -0.054 0.000 0.957 139 T CA 0.361 62.419 62.100 -0.070 0.000 1.002 139 T CB 1.037 69.885 68.868 -0.034 0.000 0.919 139 T HN 1.398 nan 8.240 nan 0.000 0.468 140 A N 2.526 125.314 122.820 -0.052 0.000 2.462 140 A HA 0.463 4.783 4.320 -0.000 0.000 0.243 140 A C 1.214 178.788 177.584 -0.016 0.000 1.076 140 A CA -0.422 51.597 52.037 -0.030 0.000 0.773 140 A CB 0.103 19.078 19.000 -0.041 0.000 1.010 140 A HN 1.086 nan 8.150 nan 0.000 0.493 141 V N -0.651 119.263 119.914 -0.001 0.000 3.382 141 V HA 0.384 4.504 4.120 -0.000 0.000 0.296 141 V C 0.018 176.119 176.094 0.013 0.000 1.529 141 V CA 0.137 62.442 62.300 0.007 0.000 1.048 141 V CB -0.773 31.058 31.823 0.013 0.000 0.878 141 V HN 0.827 nan 8.190 nan 0.000 0.442 142 N N 0.085 118.792 118.700 0.012 0.000 2.324 142 N HA 0.594 5.334 4.740 -0.000 0.000 0.285 142 N C 0.665 176.181 175.510 0.010 0.000 1.076 142 N CA 0.467 53.527 53.050 0.017 0.000 0.864 142 N CB 2.610 41.114 38.487 0.028 0.000 1.632 142 N HN 0.107 nan 8.380 nan 0.000 0.478 143 A N 2.991 125.817 122.820 0.009 0.000 1.872 143 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 143 A C 2.016 179.605 177.584 0.009 0.000 1.187 143 A CA 1.828 53.863 52.037 -0.003 0.000 0.614 143 A CB -0.824 18.176 19.000 -0.000 0.000 0.826 143 A HN 0.761 nan 8.150 nan 0.000 0.442 144 A N -0.176 122.664 122.820 0.032 0.000 1.978 144 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 144 A C 2.271 179.901 177.584 0.076 0.000 1.170 144 A CA 2.397 54.469 52.037 0.058 0.000 0.636 144 A CB -1.200 17.837 19.000 0.062 0.000 0.810 144 A HN 0.795 nan 8.150 nan 0.000 0.448 145 T N -2.940 111.654 114.554 0.067 0.000 3.107 145 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 145 T C 1.502 176.263 174.700 0.103 0.000 1.096 145 T CA 0.726 62.884 62.100 0.098 0.000 1.012 145 T CB -0.139 68.782 68.868 0.088 0.000 0.977 145 T HN 0.156 nan 8.240 nan 0.000 0.527 146 L N 2.395 123.643 121.223 0.041 0.000 2.046 146 L HA 0.188 4.528 4.340 -0.000 0.000 0.208 146 L C -0.937 175.921 176.870 -0.020 0.000 1.077 146 L CA 1.612 56.450 54.840 -0.004 0.000 0.747 146 L CB -1.224 40.803 42.059 -0.055 0.000 0.896 146 L HN 0.090 nan 8.230 nan 0.000 0.432 147 P HA -0.220 nan 4.420 nan 0.000 0.216 147 P C 1.520 178.829 177.300 0.016 0.000 1.150 147 P CA 1.682 64.761 63.100 -0.035 0.000 0.843 147 P CB -0.335 31.368 31.700 0.004 0.000 0.787 148 H N -0.327 118.740 119.070 -0.005 0.000 2.389 148 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 148 H C 1.639 176.960 175.328 -0.011 0.000 1.081 148 H CA 1.223 57.252 56.048 -0.032 0.000 1.345 148 H CB -0.327 29.433 29.762 -0.003 0.000 1.393 148 H HN -0.105 nan 8.280 nan 0.000 0.520 149 V N 1.596 121.488 119.914 -0.036 0.000 2.358 149 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 149 V C 2.781 178.830 176.094 -0.075 0.000 1.047 149 V CA 1.210 63.499 62.300 -0.018 0.000 1.035 149 V CB -0.435 31.436 31.823 0.079 0.000 0.658 149 V HN 0.353 nan 8.190 nan 0.000 0.452 150 I N 0.473 120.983 120.570 -0.100 0.000 2.179 150 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 150 I C 2.373 178.365 176.117 -0.208 0.000 1.088 150 I CA 2.081 63.300 61.300 -0.134 0.000 1.357 150 I CB -1.368 36.555 38.000 -0.128 0.000 1.051 150 I HN 0.413 nan 8.210 nan 0.000 0.409 151 D N 0.826 121.116 120.400 -0.182 0.000 2.116 151 D HA -0.284 4.356 4.640 -0.000 0.000 0.193 151 D C 2.113 178.241 176.300 -0.287 0.000 0.998 151 D CA 1.657 55.573 54.000 -0.140 0.000 0.836 151 D CB 0.121 40.887 40.800 -0.057 0.000 0.951 151 D HN 0.256 nan 8.370 nan 0.000 0.449 152 E N -0.183 119.762 120.200 -0.425 0.000 2.077 152 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 152 E C 1.866 178.139 176.600 -0.544 0.000 0.989 152 E CA 1.486 57.593 56.400 -0.488 0.000 0.800 152 E CB -0.541 28.816 29.700 -0.572 0.000 0.746 152 E HN 0.329 nan 8.360 nan 0.000 0.452 153 A N 0.517 123.094 122.820 -0.405 0.000 1.877 153 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 153 A C 2.350 179.720 177.584 -0.357 0.000 1.186 153 A CA 1.662 53.534 52.037 -0.275 0.000 0.620 153 A CB -0.745 18.251 19.000 -0.008 0.000 0.822 153 A HN 0.362 nan 8.150 nan 0.000 0.443 154 I N -1.158 119.127 120.570 -0.475 0.000 2.179 154 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 154 I C 2.725 178.472 176.117 -0.617 0.000 1.088 154 I CA 1.779 62.669 61.300 -0.683 0.000 1.357 154 I CB -0.355 36.973 38.000 -1.120 0.000 1.051 154 I HN 0.373 nan 8.210 nan 0.000 0.409 155 R N 1.180 121.350 120.500 -0.549 0.000 2.096 155 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 155 R C 2.467 178.650 176.300 -0.195 0.000 1.127 155 R CA 1.435 57.406 56.100 -0.216 0.000 0.968 155 R CB -0.075 30.210 30.300 -0.026 0.000 0.861 155 R HN 0.269 nan 8.270 nan 0.000 0.440 156 R N -0.265 120.028 120.500 -0.346 0.000 2.073 156 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 156 R C 2.387 178.487 176.300 -0.335 0.000 1.120 156 R CA 1.179 57.001 56.100 -0.462 0.000 0.967 156 R CB -0.341 29.689 30.300 -0.450 0.000 0.862 156 R HN 0.255 nan 8.270 nan 0.000 0.436 157 A N 0.610 123.284 122.820 -0.243 0.000 1.908 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 157 A C 1.918 179.426 177.584 -0.126 0.000 1.181 157 A CA 1.266 53.191 52.037 -0.185 0.000 0.627 157 A CB -0.815 18.015 19.000 -0.283 0.000 0.818 157 A HN 0.355 nan 8.150 nan 0.000 0.445 158 Y N -0.437 119.783 120.300 -0.134 0.000 2.114 158 Y HA -0.163 4.387 4.550 -0.000 0.000 0.284 158 Y C 3.007 178.918 175.900 0.017 0.000 1.143 158 Y CA 1.007 59.101 58.100 -0.010 0.000 1.135 158 Y CB -0.260 38.256 38.460 0.094 0.000 0.980 158 Y HN 0.362 nan 8.280 nan 0.000 0.499 159 A N -0.636 122.242 122.820 0.095 0.000 1.933 159 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 159 A C 1.386 179.034 177.584 0.106 0.000 1.175 159 A CA 2.008 54.047 52.037 0.004 0.000 0.628 159 A CB -0.975 17.904 19.000 -0.202 0.000 0.814 159 A HN 0.688 nan 8.150 nan 0.000 0.444 160 H N -1.678 117.431 119.070 0.065 0.000 2.652 160 H HA 0.151 4.707 4.556 0.000 0.000 0.274 160 H C -0.304 175.056 175.328 0.052 0.000 1.021 160 H CA -0.226 55.848 56.048 0.043 0.000 1.187 160 H CB 0.389 30.165 29.762 0.023 0.000 1.505 160 H HN 0.316 nan 8.280 nan 0.000 0.530 161 Q N 0.628 120.527 119.800 0.166 0.000 2.453 161 Q HA -0.144 4.196 4.340 -0.000 0.000 0.330 161 Q C 0.253 176.317 176.000 0.106 0.000 1.417 161 Q CA 1.018 56.906 55.803 0.141 0.000 0.902 161 Q CB -1.512 27.334 28.738 0.180 0.000 1.154 161 Q HN 0.827 nan 8.270 nan 0.000 0.395 162 G N -2.104 106.725 108.800 0.048 0.000 2.664 162 G HA2 0.567 4.527 3.960 -0.000 0.000 0.303 162 G HA3 0.567 4.527 3.960 -0.000 0.000 0.303 162 G C -1.143 173.732 174.900 -0.041 0.000 1.243 162 G CA -0.229 44.879 45.100 0.013 0.000 0.826 162 G HN 0.099 nan 8.290 nan 0.000 0.498 163 V N 0.931 120.814 119.914 -0.051 0.000 2.439 163 V HA 0.668 4.788 4.120 -0.000 0.000 0.282 163 V C 0.461 176.532 176.094 -0.037 0.000 1.039 163 V CA -0.185 62.070 62.300 -0.075 0.000 0.913 163 V CB 0.903 32.661 31.823 -0.110 0.000 0.983 163 V HN 1.174 nan 8.190 nan 0.000 0.460 164 A N 5.053 127.843 122.820 -0.049 0.000 2.303 164 A HA 0.838 5.158 4.320 -0.000 0.000 0.320 164 A C -0.788 176.766 177.584 -0.049 0.000 1.192 164 A CA -0.500 51.545 52.037 0.013 0.000 0.821 164 A CB 1.347 20.363 19.000 0.027 0.000 1.188 164 A HN 0.653 nan 8.150 nan 0.000 0.492 165 V N 2.881 122.750 119.914 -0.074 0.000 2.540 165 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 165 V C -0.529 175.450 176.094 -0.191 0.000 1.035 165 V CA -0.522 61.670 62.300 -0.181 0.000 0.873 165 V CB 1.665 33.329 31.823 -0.266 0.000 0.992 165 V HN 0.646 nan 8.190 nan 0.000 0.428 166 V N 4.442 124.242 119.914 -0.190 0.000 2.483 166 V HA 0.429 4.549 4.120 -0.000 0.000 0.297 166 V C -0.535 175.452 176.094 -0.177 0.000 1.027 166 V CA -0.754 61.445 62.300 -0.167 0.000 0.855 166 V CB 1.788 33.544 31.823 -0.111 0.000 0.995 166 V HN 0.950 nan 8.190 nan 0.000 0.424 167 Q N 4.415 124.121 119.800 -0.157 0.000 2.279 167 Q HA 0.658 4.998 4.340 -0.000 0.000 0.256 167 Q C -0.774 175.169 176.000 -0.095 0.000 0.937 167 Q CA 0.173 55.904 55.803 -0.121 0.000 0.933 167 Q CB 1.798 30.491 28.738 -0.073 0.000 1.189 167 Q HN 0.687 nan 8.270 nan 0.000 0.417 168 I N 4.414 124.926 120.570 -0.098 0.000 2.420 168 I HA 0.331 4.501 4.170 -0.000 0.000 0.282 168 I C -2.340 173.721 176.117 -0.094 0.000 1.019 168 I CA -2.593 58.644 61.300 -0.106 0.000 1.130 168 I CB 1.747 39.657 38.000 -0.151 0.000 1.262 168 I HN 0.342 nan 8.210 nan 0.000 0.454 169 P HA -0.046 nan 4.420 nan 0.000 0.264 169 P C 0.897 178.137 177.300 -0.100 0.000 1.193 169 P CA 0.144 63.218 63.100 -0.043 0.000 0.763 169 P CB 1.098 32.796 31.700 -0.004 0.000 0.810 170 V N 3.412 123.248 119.914 -0.129 0.000 2.759 170 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 170 V C 1.603 177.589 176.094 -0.181 0.000 1.080 170 V CA 2.378 64.548 62.300 -0.218 0.000 1.101 170 V CB -0.915 30.777 31.823 -0.219 0.000 0.698 170 V HN 0.622 nan 8.190 nan 0.000 0.477 171 D N -0.067 120.305 120.400 -0.047 0.000 2.117 171 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 171 D C 2.026 178.340 176.300 0.024 0.000 0.987 171 D CA 1.734 55.772 54.000 0.063 0.000 0.829 171 D CB -0.723 40.112 40.800 0.058 0.000 0.961 171 D HN 0.496 nan 8.370 nan 0.000 0.460 172 L N 0.543 121.740 121.223 -0.044 0.000 2.013 172 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 172 L C -0.269 176.551 176.870 -0.084 0.000 1.073 172 L CA 1.531 56.342 54.840 -0.048 0.000 0.753 172 L CB -1.996 40.026 42.059 -0.062 0.000 0.890 172 L HN 0.118 nan 8.230 nan 0.000 0.432 173 P HA -0.155 nan 4.420 nan 0.000 0.228 173 P C 0.993 178.182 177.300 -0.186 0.000 1.151 173 P CA 1.074 64.021 63.100 -0.255 0.000 0.770 173 P CB -0.048 31.401 31.700 -0.418 0.000 0.786 174 W N -0.044 121.204 121.300 -0.086 0.000 3.290 174 W HA 0.217 4.877 4.660 0.000 0.000 0.287 174 W C 0.367 176.852 176.519 -0.057 0.000 1.288 174 W CA 0.136 57.437 57.345 -0.074 0.000 1.725 174 W CB -0.527 28.890 29.460 -0.072 0.000 1.103 174 W HN 0.128 nan 8.180 nan 0.000 0.670 175 Q N 1.021 120.901 119.800 0.132 0.000 2.259 175 Q HA 0.140 4.480 4.340 -0.000 0.000 0.249 175 Q C 0.377 176.406 176.000 0.049 0.000 0.914 175 Q CA -0.315 55.535 55.803 0.077 0.000 0.904 175 Q CB 1.184 29.952 28.738 0.050 0.000 1.213 175 Q HN -0.194 nan 8.270 nan 0.000 0.428 176 Q N 2.429 122.256 119.800 0.045 0.000 2.313 176 Q HA 0.304 4.644 4.340 -0.000 0.000 0.266 176 Q C -0.163 175.859 176.000 0.038 0.000 0.989 176 Q CA 0.213 56.038 55.803 0.037 0.000 0.890 176 Q CB 0.579 29.338 28.738 0.036 0.000 1.200 176 Q HN 0.585 nan 8.270 nan 0.000 0.396 177 I N -1.301 119.295 120.570 0.043 0.000 2.892 177 I HA 0.619 4.789 4.170 -0.000 0.000 0.306 177 I C -2.628 173.545 176.117 0.095 0.000 1.078 177 I CA -3.238 58.100 61.300 0.064 0.000 1.032 177 I CB 2.274 40.311 38.000 0.061 0.000 1.229 177 I HN 0.198 nan 8.210 nan 0.000 0.435 178 P HA 0.065 nan 4.420 nan 0.000 0.264 178 P C 0.347 177.756 177.300 0.182 0.000 1.193 178 P CA 0.137 63.306 63.100 0.115 0.000 0.763 178 P CB 1.093 32.850 31.700 0.095 0.000 0.810 179 A N 4.508 127.426 122.820 0.163 0.000 2.070 179 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 179 A C 1.578 179.273 177.584 0.186 0.000 1.159 179 A CA 1.398 53.573 52.037 0.231 0.000 0.656 179 A CB -0.615 18.479 19.000 0.156 0.000 0.800 179 A HN 0.607 nan 8.150 nan 0.000 0.453 180 E N -0.649 119.602 120.200 0.086 0.000 2.498 180 E HA 0.009 4.359 4.350 -0.000 0.000 0.203 180 E C -0.012 176.553 176.600 -0.058 0.000 1.013 180 E CA 0.479 56.863 56.400 -0.027 0.000 0.927 180 E CB -0.259 29.430 29.700 -0.018 0.000 1.012 180 E HN 0.419 nan 8.360 nan 0.000 0.482 181 D N 0.861 121.288 120.400 0.045 0.000 2.216 181 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 181 D C 0.821 177.202 176.300 0.136 0.000 0.960 181 D CA 0.327 54.375 54.000 0.080 0.000 0.861 181 D CB -0.338 40.539 40.800 0.128 0.000 0.985 181 D HN 0.370 nan 8.370 nan 0.000 0.493 182 W N 2.178 123.553 121.300 0.126 0.000 2.150 182 W HA 0.358 5.018 4.660 -0.000 0.000 0.341 182 W C -0.568 176.086 176.519 0.224 0.000 1.276 182 W CA -0.691 56.739 57.345 0.142 0.000 1.238 182 W CB -0.315 29.184 29.460 0.065 0.000 1.128 182 W HN -0.058 nan 8.180 nan 0.000 0.581 183 Y N 0.158 120.536 120.300 0.131 0.000 2.655 183 Y HA 0.777 5.327 4.550 -0.000 0.000 0.336 183 Y C -1.475 174.598 175.900 0.288 0.000 1.154 183 Y CA -2.059 55.996 58.100 -0.074 0.000 1.055 183 Y CB 0.512 38.894 38.460 -0.131 0.000 1.295 183 Y HN 0.722 nan 8.280 nan 0.000 0.465 184 A N 0.650 123.568 122.820 0.162 0.000 2.337 184 A HA 0.562 4.882 4.320 -0.000 0.000 0.329 184 A C 0.208 177.857 177.584 0.107 0.000 1.146 184 A CA -0.319 51.795 52.037 0.129 0.000 0.800 184 A CB 0.679 19.774 19.000 0.158 0.000 1.220 184 A HN 1.232 nan 8.150 nan 0.000 0.472 185 S N 1.228 117.006 115.700 0.130 0.000 2.660 185 S HA 0.292 4.762 4.470 -0.000 0.000 0.227 185 S C 1.333 175.745 174.600 -0.313 0.000 0.948 185 S CA 0.448 58.727 58.200 0.130 0.000 0.948 185 S CB -0.033 63.351 63.200 0.307 0.000 0.779 185 S HN 1.216 nan 8.310 nan 0.000 0.487 186 A N 4.101 126.316 122.820 -1.009 0.000 1.940 186 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 186 A C 2.279 179.459 177.584 -0.672 0.000 1.176 186 A CA 1.732 52.750 52.037 -1.699 0.000 0.631 186 A CB -0.916 17.037 19.000 -1.745 0.000 0.814 186 A HN 0.812 nan 8.150 nan 0.000 0.446 187 N N 0.205 118.684 118.700 -0.369 0.000 2.205 187 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 187 N C 1.278 176.720 175.510 -0.114 0.000 1.015 187 N CA 1.888 54.827 53.050 -0.185 0.000 0.862 187 N CB -0.642 37.773 38.487 -0.120 0.000 0.986 187 N HN 0.334 nan 8.380 nan 0.000 0.429 188 S N -0.651 114.993 115.700 -0.093 0.000 2.558 188 S HA 0.003 4.473 4.470 -0.000 0.000 0.217 188 S C 0.177 174.777 174.600 -0.001 0.000 0.975 188 S CA -0.627 57.556 58.200 -0.028 0.000 0.912 188 S CB -0.457 62.755 63.200 0.020 0.000 0.776 188 S HN 0.498 nan 8.310 nan 0.000 0.526 189 Y N 3.955 124.160 120.300 -0.157 0.000 2.811 189 Y HA 0.072 4.622 4.550 -0.000 0.000 0.334 189 Y C 0.212 176.067 175.900 -0.075 0.000 1.247 189 Y CA 0.387 58.435 58.100 -0.087 0.000 1.526 189 Y CB 0.279 38.642 38.460 -0.161 0.000 1.284 189 Y HN 0.091 nan 8.280 nan 0.000 0.586 190 Q N 3.478 122.793 119.800 -0.809 0.000 2.456 190 Q HA 0.296 4.636 4.340 -0.000 0.000 0.284 190 Q C -0.669 174.790 176.000 -0.902 0.000 1.061 190 Q CA -0.735 54.605 55.803 -0.772 0.000 0.799 190 Q CB 1.823 30.369 28.738 -0.321 0.000 1.445 190 Q HN 0.799 nan 8.270 nan 0.000 0.411 191 T N -1.704 112.510 114.554 -0.567 0.000 2.913 191 T HA 0.620 4.970 4.350 -0.000 0.000 0.287 191 T C -2.075 172.531 174.700 -0.156 0.000 1.008 191 T CA -1.386 60.540 62.100 -0.291 0.000 1.067 191 T CB 0.214 69.010 68.868 -0.120 0.000 0.996 191 T HN 0.204 nan 8.240 nan 0.000 0.513 192 P HA 0.160 nan 4.420 nan 0.000 0.266 192 P C -0.051 177.226 177.300 -0.038 0.000 1.193 192 P CA -0.387 62.689 63.100 -0.040 0.000 0.770 192 P CB 0.222 31.922 31.700 0.001 0.000 0.836 193 L N 1.995 123.199 121.223 -0.033 0.000 2.525 193 L HA 0.010 4.350 4.340 -0.000 0.000 0.278 193 L C 0.638 177.500 176.870 -0.014 0.000 1.218 193 L CA 0.046 54.870 54.840 -0.026 0.000 0.878 193 L CB -0.373 41.673 42.059 -0.021 0.000 1.127 193 L HN 0.232 nan 8.230 nan 0.000 0.492 194 L N 5.595 126.810 121.223 -0.013 0.000 2.278 194 L HA 0.316 4.656 4.340 -0.000 0.000 0.287 194 L C -1.716 175.149 176.870 -0.007 0.000 1.072 194 L CA -1.939 52.896 54.840 -0.008 0.000 0.819 194 L CB 0.551 42.605 42.059 -0.008 0.000 1.176 194 L HN 0.431 nan 8.230 nan 0.000 0.435 195 P HA 0.092 nan 4.420 nan 0.000 0.269 195 P C -0.794 176.503 177.300 -0.005 0.000 1.215 195 P CA -0.260 62.837 63.100 -0.003 0.000 0.780 195 P CB 0.834 32.534 31.700 -0.000 0.000 0.898 196 E N 2.003 122.200 120.200 -0.005 0.000 2.204 196 E HA 0.339 4.689 4.350 -0.000 0.000 0.276 196 E C -2.142 174.455 176.600 -0.006 0.000 0.974 196 E CA -1.965 54.431 56.400 -0.006 0.000 0.815 196 E CB 0.493 30.189 29.700 -0.007 0.000 1.119 196 E HN 0.377 nan 8.360 nan 0.000 0.393 197 P HA 0.091 nan 4.420 nan 0.000 0.276 197 P C -0.434 176.862 177.300 -0.007 0.000 1.235 197 P CA -0.298 62.798 63.100 -0.007 0.000 0.772 197 P CB 0.460 32.154 31.700 -0.009 0.000 0.871 198 D N 2.036 122.432 120.400 -0.006 0.000 2.450 198 D HA -0.026 4.614 4.640 -0.000 0.000 0.247 198 D C 1.492 177.787 176.300 -0.009 0.000 1.162 198 D CA -0.242 53.755 54.000 -0.006 0.000 0.879 198 D CB 0.853 41.650 40.800 -0.005 0.000 1.163 198 D HN 0.142 nan 8.370 nan 0.000 0.472 199 V N 2.215 122.124 119.914 -0.009 0.000 2.287 199 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 199 V C 1.846 177.933 176.094 -0.012 0.000 1.053 199 V CA 1.625 63.919 62.300 -0.011 0.000 1.027 199 V CB -1.153 30.664 31.823 -0.011 0.000 0.646 199 V HN 0.639 nan 8.190 nan 0.000 0.447 200 Q N 0.972 120.765 119.800 -0.012 0.000 2.124 200 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 200 Q C 2.488 178.479 176.000 -0.016 0.000 0.977 200 Q CA 1.850 57.645 55.803 -0.013 0.000 0.850 200 Q CB -0.552 28.179 28.738 -0.012 0.000 0.901 200 Q HN 0.780 nan 8.270 nan 0.000 0.429 201 A N 0.375 123.187 122.820 -0.013 0.000 1.898 201 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 201 A C 2.343 179.917 177.584 -0.017 0.000 1.181 201 A CA 1.253 53.282 52.037 -0.014 0.000 0.620 201 A CB -0.690 18.305 19.000 -0.008 0.000 0.819 201 A HN 0.212 nan 8.150 nan 0.000 0.442 202 V N -0.119 119.786 119.914 -0.016 0.000 2.343 202 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 202 V C 2.740 178.821 176.094 -0.021 0.000 1.051 202 V CA 2.479 64.769 62.300 -0.018 0.000 1.036 202 V CB -1.263 30.551 31.823 -0.015 0.000 0.654 202 V HN 0.613 nan 8.190 nan 0.000 0.451 203 T N -0.291 114.250 114.554 -0.021 0.000 2.708 203 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 203 T C 2.061 176.743 174.700 -0.030 0.000 1.037 203 T CA 1.542 63.627 62.100 -0.023 0.000 1.146 203 T CB -0.241 68.614 68.868 -0.021 0.000 0.865 203 T HN 0.441 nan 8.240 nan 0.000 0.435 204 R N 0.485 120.965 120.500 -0.033 0.000 2.091 204 R HA 0.017 4.357 4.340 -0.000 0.000 0.238 204 R C 2.519 178.787 176.300 -0.055 0.000 1.136 204 R CA 1.105 57.178 56.100 -0.045 0.000 0.959 204 R CB -0.680 29.593 30.300 -0.043 0.000 0.856 204 R HN 0.319 nan 8.270 nan 0.000 0.437 205 L N 0.660 121.857 121.223 -0.043 0.000 2.012 205 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 205 L C 1.972 178.818 176.870 -0.040 0.000 1.073 205 L CA 1.749 56.563 54.840 -0.043 0.000 0.748 205 L CB -0.418 41.623 42.059 -0.030 0.000 0.891 205 L HN 0.190 nan 8.230 nan 0.000 0.431 206 T N -0.702 113.832 114.554 -0.032 0.000 2.720 206 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 206 T C 1.872 176.553 174.700 -0.032 0.000 1.037 206 T CA 1.332 63.416 62.100 -0.027 0.000 1.144 206 T CB -0.187 68.667 68.868 -0.024 0.000 0.864 206 T HN 0.348 nan 8.240 nan 0.000 0.444 207 Q N 0.749 120.525 119.800 -0.040 0.000 2.084 207 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 207 Q C 2.663 178.628 176.000 -0.058 0.000 0.978 207 Q CA 1.451 57.227 55.803 -0.045 0.000 0.844 207 Q CB -1.173 27.537 28.738 -0.046 0.000 0.898 207 Q HN 0.513 nan 8.270 nan 0.000 0.426 208 T N 1.787 116.290 114.554 -0.086 0.000 2.746 208 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 208 T C 1.871 176.544 174.700 -0.045 0.000 1.039 208 T CA 1.073 63.102 62.100 -0.119 0.000 1.142 208 T CB -0.329 68.419 68.868 -0.200 0.000 0.866 208 T HN 0.120 nan 8.240 nan 0.000 0.444 209 L N 0.803 122.010 121.223 -0.026 0.000 2.046 209 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 209 L C 2.113 178.987 176.870 0.007 0.000 1.077 209 L CA 1.578 56.420 54.840 0.004 0.000 0.747 209 L CB -0.562 41.502 42.059 0.007 0.000 0.896 209 L HN 0.253 nan 8.230 nan 0.000 0.432 210 L N -0.983 120.236 121.223 -0.007 0.000 2.156 210 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 210 L C 2.490 179.358 176.870 -0.004 0.000 1.095 210 L CA 0.851 55.687 54.840 -0.007 0.000 0.770 210 L CB -0.758 41.292 42.059 -0.015 0.000 0.914 210 L HN 0.340 nan 8.230 nan 0.000 0.439 211 A N 0.323 123.140 122.820 -0.005 0.000 2.119 211 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 211 A C 1.405 179.000 177.584 0.018 0.000 1.153 211 A CA 0.611 52.651 52.037 0.005 0.000 0.692 211 A CB -0.471 18.529 19.000 0.001 0.000 0.799 211 A HN 0.295 nan 8.150 nan 0.000 0.458 212 A N 0.151 122.982 122.820 0.018 0.000 2.531 212 A HA 0.298 4.618 4.320 -0.000 0.000 0.236 212 A C 1.005 178.556 177.584 -0.056 0.000 1.062 212 A CA 0.036 52.071 52.037 -0.003 0.000 0.760 212 A CB 0.252 19.248 19.000 -0.006 0.000 0.995 212 A HN 0.406 nan 8.150 nan 0.000 0.501 213 E N 1.390 121.523 120.200 -0.112 0.000 2.190 213 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 213 E C 0.273 176.654 176.600 -0.364 0.000 0.978 213 E CA 0.811 57.121 56.400 -0.150 0.000 0.839 213 E CB 0.181 29.805 29.700 -0.126 0.000 0.787 213 E HN 0.691 nan 8.360 nan 0.000 0.473 214 R N 1.135 121.279 120.500 -0.592 0.000 2.738 214 R HA 0.234 4.574 4.340 -0.000 0.000 0.280 214 R C -2.523 173.276 176.300 -0.836 0.000 1.456 214 R CA -1.330 53.894 56.100 -1.459 0.000 1.612 214 R CB 1.430 30.707 30.300 -1.706 0.000 1.286 214 R HN 0.027 nan 8.270 nan 0.000 0.660 215 P HA 0.185 nan 4.420 nan 0.000 0.275 215 P C -0.545 176.971 177.300 0.361 0.000 1.228 215 P CA -0.076 63.075 63.100 0.084 0.000 0.786 215 P CB 1.481 33.255 31.700 0.122 0.000 0.927 216 L N 2.580 123.972 121.223 0.280 0.000 2.388 216 L HA 0.536 4.876 4.340 -0.000 0.000 0.264 216 L C 0.090 177.112 176.870 0.254 0.000 0.998 216 L CA -1.008 54.017 54.840 0.308 0.000 0.817 216 L CB 2.261 44.489 42.059 0.282 0.000 1.338 216 L HN 0.242 nan 8.230 nan 0.000 0.414 217 I N 2.495 123.230 120.570 0.276 0.000 2.339 217 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 217 I C -1.338 175.018 176.117 0.398 0.000 0.994 217 I CA -0.530 60.948 61.300 0.295 0.000 1.191 217 I CB 1.329 39.493 38.000 0.273 0.000 1.343 217 I HN 0.399 nan 8.210 nan 0.000 0.458 218 Y N 9.553 129.980 120.300 0.211 0.000 2.426 218 Y HA 0.405 4.955 4.550 -0.000 0.000 0.325 218 Y C -1.281 174.667 175.900 0.081 0.000 0.989 218 Y CA -1.803 56.383 58.100 0.144 0.000 1.284 218 Y CB 0.534 39.142 38.460 0.247 0.000 1.104 218 Y HN 0.457 nan 8.280 nan 0.000 0.481 219 Y N 2.884 123.326 120.300 0.236 0.000 2.487 219 Y HA 0.968 5.518 4.550 -0.000 0.000 0.337 219 Y C 0.163 176.050 175.900 -0.022 0.000 1.076 219 Y CA -1.216 56.887 58.100 0.005 0.000 1.115 219 Y CB 1.234 39.726 38.460 0.053 0.000 1.235 219 Y HN 0.579 nan 8.280 nan 0.000 0.468 220 G N 1.142 109.946 108.800 0.006 0.000 2.971 220 G HA2 0.373 4.333 3.960 -0.000 0.000 0.235 220 G HA3 0.373 4.333 3.960 -0.000 0.000 0.235 220 G C 0.369 175.351 174.900 0.136 0.000 1.351 220 G CA -0.734 44.383 45.100 0.029 0.000 1.039 220 G HN 1.113 nan 8.290 nan 0.000 0.563 221 I N -1.570 119.057 120.570 0.095 0.000 3.083 221 I HA 0.127 4.297 4.170 -0.000 0.000 0.273 221 I C 1.968 178.130 176.117 0.074 0.000 1.297 221 I CA 1.007 62.362 61.300 0.092 0.000 1.452 221 I CB -0.203 37.834 38.000 0.061 0.000 1.078 221 I HN 0.386 nan 8.210 nan 0.000 0.484 222 G N 1.234 110.065 108.800 0.051 0.000 2.498 222 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.219 222 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.219 222 G C 1.402 176.315 174.900 0.023 0.000 1.119 222 G CA 0.546 45.662 45.100 0.027 0.000 0.766 222 G HN 0.612 nan 8.290 nan 0.000 0.552 223 A N 0.708 123.553 122.820 0.042 0.000 2.460 223 A HA 0.318 4.638 4.320 -0.000 0.000 0.258 223 A C 2.070 179.649 177.584 -0.008 0.000 1.300 223 A CA 0.459 52.501 52.037 0.007 0.000 0.913 223 A CB -0.224 18.777 19.000 0.002 0.000 1.031 223 A HN 0.463 nan 8.150 nan 0.000 0.512 224 R N 0.198 120.714 120.500 0.027 0.000 2.200 224 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 224 R C 0.993 177.291 176.300 -0.003 0.000 1.127 224 R CA 1.779 57.892 56.100 0.022 0.000 0.989 224 R CB -0.373 29.950 30.300 0.038 0.000 0.869 224 R HN 0.316 nan 8.270 nan 0.000 0.459 225 K N 0.148 120.542 120.400 -0.010 0.000 2.404 225 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 225 K C 0.760 177.334 176.600 -0.043 0.000 1.023 225 K CA 0.476 56.753 56.287 -0.018 0.000 1.094 225 K CB 0.914 33.411 32.500 -0.006 0.000 0.841 225 K HN 0.282 nan 8.250 nan 0.000 0.523 226 A N 0.344 123.120 122.820 -0.072 0.000 2.594 226 A HA 0.261 4.581 4.320 -0.000 0.000 0.287 226 A C 1.605 179.094 177.584 -0.158 0.000 1.227 226 A CA -0.056 51.920 52.037 -0.102 0.000 0.952 226 A CB -0.010 18.929 19.000 -0.101 0.000 1.161 226 A HN 0.287 nan 8.150 nan 0.000 0.524 227 G N 0.664 109.373 108.800 -0.152 0.000 2.440 227 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 227 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 227 G C 1.623 176.418 174.900 -0.175 0.000 1.154 227 G CA 1.215 46.202 45.100 -0.188 0.000 0.767 227 G HN 0.473 nan 8.290 nan 0.000 0.552 228 K N 0.148 120.473 120.400 -0.125 0.000 2.009 228 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 228 K C 2.594 179.122 176.600 -0.121 0.000 1.049 228 K CA 1.738 57.958 56.287 -0.111 0.000 0.929 228 K CB -0.117 32.337 32.500 -0.076 0.000 0.714 228 K HN 0.235 nan 8.250 nan 0.000 0.440 229 E N 0.861 120.994 120.200 -0.111 0.000 2.077 229 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 229 E C 2.009 178.538 176.600 -0.118 0.000 0.989 229 E CA 0.877 57.218 56.400 -0.099 0.000 0.800 229 E CB -0.140 29.511 29.700 -0.081 0.000 0.746 229 E HN 0.216 nan 8.360 nan 0.000 0.452 230 L N 0.577 121.697 121.223 -0.171 0.000 1.989 230 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 230 L C 2.603 179.376 176.870 -0.162 0.000 1.071 230 L CA 1.658 56.380 54.840 -0.196 0.000 0.749 230 L CB -0.366 41.446 42.059 -0.411 0.000 0.890 230 L HN 0.187 nan 8.230 nan 0.000 0.431 231 E N -0.446 119.610 120.200 -0.241 0.000 2.077 231 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 231 E C 2.190 178.639 176.600 -0.252 0.000 0.989 231 E CA 1.346 57.521 56.400 -0.376 0.000 0.800 231 E CB 0.106 29.522 29.700 -0.472 0.000 0.746 231 E HN 0.295 nan 8.360 nan 0.000 0.452 232 Q N 0.080 119.788 119.800 -0.155 0.000 2.123 232 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 232 Q C 1.985 177.951 176.000 -0.058 0.000 0.966 232 Q CA 0.778 56.527 55.803 -0.091 0.000 0.845 232 Q CB -0.221 28.472 28.738 -0.074 0.000 0.907 232 Q HN 0.245 nan 8.270 nan 0.000 0.439 233 L N 0.029 121.221 121.223 -0.053 0.000 2.012 233 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 233 L C 2.371 179.239 176.870 -0.004 0.000 1.073 233 L CA 2.163 56.986 54.840 -0.028 0.000 0.748 233 L CB -1.525 40.524 42.059 -0.017 0.000 0.891 233 L HN 0.329 nan 8.230 nan 0.000 0.431 234 S N -0.814 114.913 115.700 0.044 0.000 2.353 234 S HA -0.250 4.220 4.470 -0.000 0.000 0.222 234 S C 2.060 176.717 174.600 0.094 0.000 1.035 234 S CA 1.680 59.978 58.200 0.162 0.000 1.025 234 S CB -0.061 63.349 63.200 0.350 0.000 0.902 234 S HN 0.452 nan 8.310 nan 0.000 0.440 235 K N -0.220 120.252 120.400 0.120 0.000 2.057 235 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 235 K C 2.353 178.885 176.600 -0.114 0.000 1.049 235 K CA 1.790 58.128 56.287 0.085 0.000 0.931 235 K CB -0.543 32.030 32.500 0.122 0.000 0.714 235 K HN 0.358 nan 8.250 nan 0.000 0.440 236 T N 1.526 116.025 114.554 -0.092 0.000 2.777 236 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 236 T C 1.668 176.269 174.700 -0.165 0.000 1.040 236 T CA 0.987 63.023 62.100 -0.106 0.000 1.141 236 T CB 0.005 68.833 68.868 -0.066 0.000 0.868 236 T HN 0.104 nan 8.240 nan 0.000 0.444 237 L N 0.056 121.175 121.223 -0.173 0.000 2.567 237 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 237 L C 0.173 176.855 176.870 -0.313 0.000 1.119 237 L CA -0.008 54.729 54.840 -0.173 0.000 0.871 237 L CB -0.005 42.006 42.059 -0.078 0.000 1.036 237 L HN 0.080 nan 8.230 nan 0.000 0.459 238 K N 1.068 121.094 120.400 -0.623 0.000 3.239 238 K HA -0.124 4.196 4.320 -0.000 0.000 0.270 238 K C -0.648 175.679 176.600 -0.455 0.000 1.049 238 K CA 0.781 56.254 56.287 -1.358 0.000 0.769 238 K CB -2.223 29.544 32.500 -1.223 0.000 1.305 238 K HN 0.324 nan 8.250 nan 0.000 0.469 239 I N 1.113 121.636 120.570 -0.079 0.000 2.410 239 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 239 I C -2.091 174.307 176.117 0.468 0.000 1.009 239 I CA -2.381 59.095 61.300 0.294 0.000 1.111 239 I CB 1.983 40.104 38.000 0.201 0.000 1.262 239 I HN -0.163 nan 8.210 nan 0.000 0.443 240 P HA 0.156 nan 4.420 nan 0.000 0.269 240 P C -0.870 176.608 177.300 0.297 0.000 1.217 240 P CA -0.033 63.239 63.100 0.287 0.000 0.783 240 P CB 0.617 32.316 31.700 -0.001 0.000 0.898 241 L N 2.379 123.788 121.223 0.309 0.000 2.334 241 L HA 0.641 4.981 4.340 -0.000 0.000 0.276 241 L C 0.365 177.359 176.870 0.208 0.000 1.014 241 L CA -0.646 54.434 54.840 0.401 0.000 0.815 241 L CB 1.163 43.611 42.059 0.649 0.000 1.268 241 L HN 0.419 nan 8.230 nan 0.000 0.428 242 M N 1.434 121.111 119.600 0.128 0.000 2.575 242 M HA 0.796 5.276 4.480 -0.000 0.000 0.284 242 M C -0.900 175.281 176.300 -0.198 0.000 1.253 242 M CA -0.511 54.693 55.300 -0.160 0.000 0.861 242 M CB 2.481 34.854 32.600 -0.377 0.000 1.733 242 M HN 0.476 nan 8.290 nan 0.000 0.462 243 S N -0.259 115.327 115.700 -0.189 0.000 2.651 243 S HA 0.768 5.238 4.470 -0.000 0.000 0.279 243 S C -0.280 174.412 174.600 0.153 0.000 1.148 243 S CA -0.156 57.899 58.200 -0.241 0.000 0.837 243 S CB 1.617 64.550 63.200 -0.445 0.000 1.138 243 S HN 1.028 nan 8.310 nan 0.000 0.478 244 T N -0.060 114.595 114.554 0.168 0.000 2.860 244 T HA 0.201 4.551 4.350 -0.000 0.000 0.299 244 T C 0.962 175.836 174.700 0.291 0.000 1.045 244 T CA -0.015 62.252 62.100 0.278 0.000 1.071 244 T CB 0.013 69.021 68.868 0.233 0.000 0.985 244 T HN 0.879 nan 8.240 nan 0.000 0.537 245 Y N 3.208 123.658 120.300 0.249 0.000 2.114 245 Y HA 0.036 4.586 4.550 -0.000 0.000 0.282 245 Y C -1.076 174.990 175.900 0.276 0.000 1.165 245 Y CA 1.116 59.357 58.100 0.235 0.000 1.148 245 Y CB -1.988 36.606 38.460 0.223 0.000 0.972 245 Y HN 0.513 nan 8.280 nan 0.000 0.504 246 P HA -0.121 nan 4.420 nan 0.000 0.219 246 P C 1.151 178.426 177.300 -0.041 0.000 1.146 246 P CA 2.318 65.239 63.100 -0.298 0.000 0.808 246 P CB -0.352 31.230 31.700 -0.198 0.000 0.779 247 A N -0.954 121.921 122.820 0.091 0.000 2.235 247 A HA -0.064 4.256 4.320 -0.000 0.000 0.208 247 A C 1.157 178.890 177.584 0.249 0.000 1.172 247 A CA 0.028 52.172 52.037 0.179 0.000 0.786 247 A CB -1.034 18.082 19.000 0.193 0.000 0.804 247 A HN 0.093 nan 8.150 nan 0.000 0.479 248 K N -0.080 120.487 120.400 0.278 0.000 2.489 248 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 248 K C 1.192 177.903 176.600 0.184 0.000 1.000 248 K CA 0.981 57.400 56.287 0.221 0.000 1.012 248 K CB -0.097 32.512 32.500 0.183 0.000 0.903 248 K HN 0.666 nan 8.250 nan 0.000 0.485 249 G N 3.838 112.647 108.800 0.016 0.000 2.258 249 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.233 249 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.233 249 G C 0.900 175.817 174.900 0.028 0.000 1.006 249 G CA 0.300 45.417 45.100 0.028 0.000 0.620 249 G HN 0.652 nan 8.290 nan 0.000 0.511 250 I N 0.638 121.248 120.570 0.067 0.000 2.226 250 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 250 I C 1.126 177.208 176.117 -0.057 0.000 1.100 250 I CA 1.252 62.572 61.300 0.033 0.000 1.374 250 I CB -0.137 37.922 38.000 0.098 0.000 1.057 250 I HN 0.113 nan 8.210 nan 0.000 0.413 251 V N 1.519 121.384 119.914 -0.081 0.000 2.435 251 V HA 0.475 4.595 4.120 -0.000 0.000 0.290 251 V C 0.406 176.408 176.094 -0.154 0.000 1.030 251 V CA -1.219 60.999 62.300 -0.136 0.000 0.881 251 V CB 1.315 33.071 31.823 -0.111 0.000 0.983 251 V HN 0.253 nan 8.190 nan 0.000 0.445 252 A N 3.066 125.838 122.820 -0.080 0.000 2.584 252 A HA 0.015 4.335 4.320 -0.000 0.000 0.239 252 A C 1.235 178.796 177.584 -0.040 0.000 1.043 252 A CA 0.085 52.100 52.037 -0.037 0.000 0.756 252 A CB -0.123 18.888 19.000 0.018 0.000 0.963 252 A HN 0.931 nan 8.150 nan 0.000 0.511 253 D N 1.766 122.140 120.400 -0.045 0.000 2.221 253 D HA -0.188 4.452 4.640 -0.000 0.000 0.204 253 D C 1.968 178.342 176.300 0.123 0.000 0.982 253 D CA 1.809 55.830 54.000 0.034 0.000 0.857 253 D CB 0.012 40.840 40.800 0.047 0.000 0.934 253 D HN 0.850 nan 8.370 nan 0.000 0.475 254 R N -0.075 120.480 120.500 0.092 0.000 2.235 254 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 254 R C 0.941 177.315 176.300 0.124 0.000 1.059 254 R CA -0.061 56.092 56.100 0.087 0.000 0.997 254 R CB -0.737 29.599 30.300 0.061 0.000 0.884 254 R HN 0.032 nan 8.270 nan 0.000 0.462 255 Y N 3.689 124.020 120.300 0.051 0.000 2.802 255 Y HA 0.065 4.615 4.550 -0.000 0.000 0.333 255 Y C -1.706 174.244 175.900 0.083 0.000 1.244 255 Y CA -2.601 55.541 58.100 0.071 0.000 1.558 255 Y CB 0.921 39.430 38.460 0.081 0.000 1.233 255 Y HN -0.030 nan 8.280 nan 0.000 0.547 256 P HA -0.070 nan 4.420 nan 0.000 0.222 256 P C 0.216 177.134 177.300 -0.636 0.000 1.147 256 P CA 1.926 64.731 63.100 -0.491 0.000 0.790 256 P CB 0.286 31.753 31.700 -0.388 0.000 0.780 257 A N -2.329 119.877 122.820 -1.023 0.000 2.500 257 A HA 0.121 4.441 4.320 -0.000 0.000 0.267 257 A C -0.085 177.440 177.584 -0.099 0.000 1.290 257 A CA -0.299 51.397 52.037 -0.569 0.000 0.928 257 A CB -1.027 17.722 19.000 -0.418 0.000 1.066 257 A HN 0.061 nan 8.150 nan 0.000 0.516 258 Y N 1.306 121.535 120.300 -0.118 0.000 2.539 258 Y HA 0.363 4.913 4.550 -0.000 0.000 0.352 258 Y C 0.796 176.681 175.900 -0.025 0.000 1.004 258 Y CA -0.890 57.264 58.100 0.090 0.000 1.278 258 Y CB 0.311 38.898 38.460 0.212 0.000 1.136 258 Y HN 0.217 nan 8.280 nan 0.000 0.528 259 L N 5.393 126.325 121.223 -0.486 0.000 2.240 259 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 259 L C 1.487 177.948 176.870 -0.681 0.000 1.106 259 L CA 0.790 55.321 54.840 -0.515 0.000 0.793 259 L CB -0.865 40.951 42.059 -0.406 0.000 0.927 259 L HN 0.976 nan 8.230 nan 0.000 0.446 260 G N 0.019 108.098 108.800 -1.203 0.000 2.451 260 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.208 260 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.208 260 G C -0.388 174.235 174.900 -0.462 0.000 1.248 260 G CA -0.238 44.364 45.100 -0.829 0.000 0.989 260 G HN 0.355 nan 8.290 nan 0.000 0.559 261 S N -0.337 115.250 115.700 -0.189 0.000 2.664 261 S HA 0.955 5.425 4.470 -0.000 0.000 0.304 261 S C 0.304 174.822 174.600 -0.137 0.000 1.099 261 S CA 0.639 58.791 58.200 -0.081 0.000 1.003 261 S CB 1.835 65.121 63.200 0.143 0.000 1.092 261 S HN 2.415 nan 8.310 nan 0.000 0.525 262 A N 0.977 123.732 122.820 -0.109 0.000 2.269 262 A HA 0.766 5.086 4.320 -0.000 0.000 0.327 262 A C 0.719 178.331 177.584 0.046 0.000 1.112 262 A CA -0.218 51.756 52.037 -0.106 0.000 0.865 262 A CB -0.011 18.861 19.000 -0.213 0.000 1.227 262 A HN 1.280 nan 8.150 nan 0.000 0.498 263 N N -1.289 117.400 118.700 -0.019 0.000 2.054 263 N HA -0.235 4.505 4.740 -0.000 0.000 0.194 263 N C 1.205 176.612 175.510 -0.172 0.000 0.727 263 N CA 1.702 54.672 53.050 -0.134 0.000 1.387 263 N CB -0.926 37.355 38.487 -0.343 0.000 1.533 263 N HN 0.765 nan 8.380 nan 0.000 0.402 264 R N 0.393 120.776 120.500 -0.196 0.000 2.215 264 R HA 0.331 4.671 4.340 -0.000 0.000 0.190 264 R C 0.137 176.464 176.300 0.045 0.000 0.968 264 R CA 0.705 56.741 56.100 -0.108 0.000 1.122 264 R CB 0.338 30.540 30.300 -0.162 0.000 1.151 264 R HN 0.195 nan 8.270 nan 0.000 0.582 265 V N 2.763 122.732 119.914 0.090 0.000 2.242 265 V HA 0.426 4.546 4.120 -0.000 0.000 0.242 265 V C -0.226 175.861 176.094 -0.011 0.000 1.240 265 V CA 0.218 62.514 62.300 -0.007 0.000 1.211 265 V CB -0.009 31.677 31.823 -0.227 0.000 1.338 265 V HN 0.420 nan 8.190 nan 0.000 0.499 266 A N 4.567 127.379 122.820 -0.012 0.000 2.610 266 A HA 0.815 5.135 4.320 -0.000 0.000 0.291 266 A C -1.126 176.409 177.584 -0.082 0.000 1.086 266 A CA -0.821 51.186 52.037 -0.050 0.000 0.677 266 A CB 1.766 20.711 19.000 -0.091 0.000 1.278 266 A HN 0.497 nan 8.150 nan 0.000 0.414 267 Q N 0.709 120.378 119.800 -0.218 0.000 2.375 267 Q HA 0.330 4.670 4.340 -0.000 0.000 0.271 267 Q C 0.356 175.869 176.000 -0.812 0.000 1.074 267 Q CA -0.785 54.747 55.803 -0.452 0.000 0.808 267 Q CB 2.702 31.270 28.738 -0.283 0.000 1.327 267 Q HN 0.866 nan 8.270 nan 0.000 0.441 268 K N 2.203 121.748 120.400 -1.425 0.000 2.034 268 K HA -0.193 4.127 4.320 -0.000 0.000 0.214 268 K C -1.026 175.139 176.600 -0.726 0.000 1.051 268 K CA 2.067 57.742 56.287 -1.020 0.000 0.931 268 K CB -0.664 31.169 32.500 -1.112 0.000 0.715 268 K HN 0.328 nan 8.250 nan 0.000 0.446 269 P HA -0.111 nan 4.420 nan 0.000 0.218 269 P C 0.831 177.885 177.300 -0.409 0.000 1.148 269 P CA 1.775 64.577 63.100 -0.496 0.000 0.822 269 P CB -0.040 31.386 31.700 -0.456 0.000 0.784 270 A N -0.318 122.237 122.820 -0.442 0.000 1.873 270 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 270 A C 2.197 179.597 177.584 -0.307 0.000 1.186 270 A CA 1.758 53.569 52.037 -0.377 0.000 0.616 270 A CB -1.447 17.309 19.000 -0.407 0.000 0.823 270 A HN 0.099 nan 8.150 nan 0.000 0.442 271 N N -0.007 118.515 118.700 -0.297 0.000 2.120 271 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 271 N C 1.698 177.105 175.510 -0.173 0.000 1.024 271 N CA 1.622 54.539 53.050 -0.223 0.000 0.852 271 N CB -0.348 38.008 38.487 -0.217 0.000 1.003 271 N HN 0.669 nan 8.380 nan 0.000 0.424 272 E N 0.359 120.446 120.200 -0.188 0.000 2.046 272 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 272 E C 1.943 178.514 176.600 -0.048 0.000 0.982 272 E CA 0.968 57.295 56.400 -0.122 0.000 0.800 272 E CB -0.078 29.538 29.700 -0.142 0.000 0.756 272 E HN 0.329 nan 8.360 nan 0.000 0.449 273 A N 1.341 124.114 122.820 -0.077 0.000 1.902 273 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 273 A C 2.173 179.864 177.584 0.177 0.000 1.181 273 A CA 1.032 53.102 52.037 0.055 0.000 0.623 273 A CB -0.566 18.367 19.000 -0.111 0.000 0.818 273 A HN 0.218 nan 8.150 nan 0.000 0.443 274 L N -0.129 121.105 121.223 0.018 0.000 2.079 274 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 274 L C 2.638 179.537 176.870 0.047 0.000 1.081 274 L CA 2.109 56.962 54.840 0.022 0.000 0.752 274 L CB -0.735 41.259 42.059 -0.109 0.000 0.896 274 L HN 0.353 nan 8.230 nan 0.000 0.433 275 A N -1.494 121.335 122.820 0.015 0.000 2.019 275 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 275 A C 2.062 179.671 177.584 0.042 0.000 1.164 275 A CA 1.593 53.637 52.037 0.011 0.000 0.644 275 A CB -0.329 18.661 19.000 -0.016 0.000 0.805 275 A HN 0.613 nan 8.150 nan 0.000 0.449 276 Q N -0.811 119.051 119.800 0.103 0.000 2.378 276 Q HA 0.319 4.659 4.340 -0.000 0.000 0.216 276 Q C 0.902 176.871 176.000 -0.052 0.000 0.892 276 Q CA 0.639 56.494 55.803 0.086 0.000 0.931 276 Q CB -0.442 28.452 28.738 0.261 0.000 1.086 276 Q HN 0.565 nan 8.270 nan 0.000 0.528 277 A N 2.911 125.740 122.820 0.015 0.000 2.511 277 A HA 0.044 4.364 4.320 -0.000 0.000 0.242 277 A C 0.813 178.325 177.584 -0.121 0.000 1.069 277 A CA 0.321 52.293 52.037 -0.109 0.000 0.763 277 A CB 0.174 19.241 19.000 0.111 0.000 1.001 277 A HN 0.247 nan 8.150 nan 0.000 0.498 278 D N 1.110 121.385 120.400 -0.208 0.000 2.301 278 D HA 0.051 4.691 4.640 -0.000 0.000 0.206 278 D C 0.097 176.375 176.300 -0.037 0.000 0.979 278 D CA 0.612 54.535 54.000 -0.129 0.000 0.874 278 D CB -0.101 40.602 40.800 -0.161 0.000 0.968 278 D HN 0.185 nan 8.370 nan 0.000 0.510 279 V N 1.052 120.963 119.914 -0.003 0.000 2.638 279 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 279 V C -0.605 175.535 176.094 0.078 0.000 1.052 279 V CA -1.002 61.344 62.300 0.078 0.000 0.885 279 V CB 2.566 34.453 31.823 0.106 0.000 0.999 279 V HN -0.074 nan 8.190 nan 0.000 0.424 280 V N 5.539 125.487 119.914 0.057 0.000 2.409 280 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 280 V C -0.438 175.583 176.094 -0.122 0.000 1.020 280 V CA -0.611 61.707 62.300 0.030 0.000 0.848 280 V CB 1.735 33.617 31.823 0.098 0.000 0.990 280 V HN 0.683 nan 8.190 nan 0.000 0.430 281 L N 6.108 127.330 121.223 -0.001 0.000 2.268 281 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 281 L C -0.870 176.017 176.870 0.029 0.000 1.064 281 L CA 0.117 54.936 54.840 -0.035 0.000 0.824 281 L CB 0.353 42.430 42.059 0.029 0.000 1.202 281 L HN 0.541 nan 8.230 nan 0.000 0.433 282 F N 6.155 125.890 119.950 -0.358 0.000 2.334 282 F HA 0.555 5.082 4.527 0.000 0.000 0.367 282 F C -0.700 175.003 175.800 -0.162 0.000 1.115 282 F CA -0.515 57.294 58.000 -0.319 0.000 1.116 282 F CB 1.301 39.881 39.000 -0.699 0.000 1.230 282 F HN 0.277 nan 8.300 nan 0.000 0.484 283 V N 6.541 126.317 119.914 -0.230 0.000 2.531 283 V HA 0.662 4.782 4.120 -0.000 0.000 0.301 283 V C 0.299 176.286 176.094 -0.179 0.000 1.034 283 V CA 0.035 62.251 62.300 -0.139 0.000 0.865 283 V CB 1.167 32.979 31.823 -0.017 0.000 0.995 283 V HN 1.107 nan 8.190 nan 0.000 0.424 284 G N 4.733 113.444 108.800 -0.148 0.000 2.356 284 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.296 284 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.296 284 G C -0.042 174.749 174.900 -0.182 0.000 1.022 284 G CA 0.899 45.934 45.100 -0.109 0.000 0.961 284 G HN 1.134 nan 8.290 nan 0.000 0.510 285 N N -0.303 118.160 118.700 -0.394 0.000 2.352 285 N HA 0.394 5.133 4.740 -0.000 0.000 0.291 285 N C -0.461 174.825 175.510 -0.374 0.000 1.040 285 N CA -0.891 51.804 53.050 -0.591 0.000 0.864 285 N CB 1.492 39.137 38.487 -1.403 0.000 1.440 285 N HN 0.072 nan 8.380 nan 0.000 0.483 286 N N 2.829 121.511 118.700 -0.030 0.000 2.497 286 N HA 0.067 4.807 4.740 -0.000 0.000 0.284 286 N C -1.231 174.461 175.510 0.303 0.000 1.459 286 N CA -0.414 52.748 53.050 0.187 0.000 0.899 286 N CB -0.246 38.314 38.487 0.123 0.000 1.316 286 N HN 0.447 nan 8.380 nan 0.000 0.500 287 Y N 2.230 122.681 120.300 0.253 0.000 2.867 287 Y HA -0.011 4.539 4.550 -0.000 0.000 0.367 287 Y C -1.301 174.740 175.900 0.234 0.000 1.310 287 Y CA -0.958 57.322 58.100 0.300 0.000 1.655 287 Y CB 0.686 39.413 38.460 0.446 0.000 1.181 287 Y HN 0.316 nan 8.280 nan 0.000 0.533 288 P HA -0.101 nan 4.420 nan 0.000 0.236 288 P C 0.666 177.621 177.300 -0.575 0.000 1.177 288 P CA 1.086 63.973 63.100 -0.354 0.000 0.773 288 P CB -0.020 31.397 31.700 -0.470 0.000 0.878 289 F N 0.139 119.719 119.950 -0.617 0.000 2.789 289 F HA 0.286 4.813 4.527 -0.000 0.000 0.300 289 F C 2.471 178.075 175.800 -0.326 0.000 1.132 289 F CA 0.185 57.854 58.000 -0.552 0.000 1.404 289 F CB -1.090 37.494 39.000 -0.694 0.000 1.114 289 F HN -0.074 nan 8.300 nan 0.000 0.584 290 A N 0.782 123.579 122.820 -0.038 0.000 1.869 290 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 290 A C 2.072 179.710 177.584 0.091 0.000 1.203 290 A CA 2.421 54.576 52.037 0.196 0.000 0.638 290 A CB -0.690 18.563 19.000 0.420 0.000 0.831 290 A HN 0.367 nan 8.150 nan 0.000 0.450 291 E N -0.551 119.698 120.200 0.081 0.000 2.051 291 E HA -0.048 4.302 4.350 -0.000 0.000 0.189 291 E C 2.058 178.683 176.600 0.042 0.000 0.979 291 E CA 1.313 57.751 56.400 0.063 0.000 0.803 291 E CB -0.476 29.251 29.700 0.045 0.000 0.761 291 E HN 0.612 nan 8.360 nan 0.000 0.451 292 V N -0.188 119.749 119.914 0.039 0.000 2.626 292 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 292 V C 1.969 178.094 176.094 0.051 0.000 1.067 292 V CA 1.753 64.080 62.300 0.045 0.000 1.081 292 V CB -0.567 31.289 31.823 0.055 0.000 0.686 292 V HN 0.295 nan 8.190 nan 0.000 0.468 293 S N -0.904 114.832 115.700 0.060 0.000 2.556 293 S HA 0.168 4.638 4.470 -0.000 0.000 0.216 293 S C 0.922 175.524 174.600 0.003 0.000 0.970 293 S CA 0.168 58.390 58.200 0.036 0.000 0.912 293 S CB -0.591 62.641 63.200 0.053 0.000 0.790 293 S HN 0.705 nan 8.310 nan 0.000 0.504 294 K N 0.559 120.962 120.400 0.006 0.000 3.071 294 K HA -0.237 4.083 4.320 -0.000 0.000 0.262 294 K C 1.151 177.710 176.600 -0.068 0.000 0.977 294 K CA 0.358 56.643 56.287 -0.005 0.000 0.721 294 K CB -2.160 30.342 32.500 0.003 0.000 1.293 294 K HN 0.545 nan 8.250 nan 0.000 0.475 295 A N 0.255 122.972 122.820 -0.172 0.000 1.917 295 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 295 A C 1.226 178.550 177.584 -0.432 0.000 1.182 295 A CA 1.622 53.426 52.037 -0.388 0.000 0.633 295 A CB -0.299 18.291 19.000 -0.684 0.000 0.819 295 A HN 0.382 nan 8.150 nan 0.000 0.448 296 F N -0.022 119.923 119.950 -0.009 0.000 2.750 296 F HA 0.205 4.732 4.527 -0.000 0.000 0.297 296 F C 1.682 177.411 175.800 -0.118 0.000 1.138 296 F CA -0.116 57.782 58.000 -0.170 0.000 1.346 296 F CB -0.018 38.624 39.000 -0.598 0.000 0.965 296 F HN 0.346 nan 8.300 nan 0.000 0.514 297 K N -0.383 120.067 120.400 0.084 0.000 2.097 297 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 297 K C 0.672 177.313 176.600 0.068 0.000 1.049 297 K CA 1.607 57.949 56.287 0.090 0.000 0.933 297 K CB -0.132 32.394 32.500 0.044 0.000 0.717 297 K HN 0.122 nan 8.250 nan 0.000 0.442 298 N N 0.927 119.653 118.700 0.042 0.000 2.214 298 N HA 0.042 4.782 4.740 -0.000 0.000 0.214 298 N C -0.630 174.883 175.510 0.006 0.000 1.132 298 N CA 0.148 53.208 53.050 0.017 0.000 0.856 298 N CB 0.949 39.436 38.487 0.001 0.000 1.020 298 N HN 0.136 nan 8.380 nan 0.000 0.509 299 T N 0.687 115.260 114.554 0.031 0.000 2.814 299 T HA 0.121 4.471 4.350 -0.000 0.000 0.297 299 T C 1.476 176.161 174.700 -0.025 0.000 0.956 299 T CA -0.154 61.959 62.100 0.021 0.000 1.123 299 T CB 2.183 71.084 68.868 0.055 0.000 0.902 299 T HN 0.135 nan 8.240 nan 0.000 0.528 300 R N 2.044 122.478 120.500 -0.111 0.000 2.062 300 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 300 R C -0.420 175.677 176.300 -0.339 0.000 1.125 300 R CA 1.086 56.998 56.100 -0.313 0.000 0.966 300 R CB 0.223 30.207 30.300 -0.527 0.000 0.861 300 R HN 0.596 nan 8.270 nan 0.000 0.433 301 Y N -1.302 119.041 120.300 0.072 0.000 2.442 301 Y HA 0.357 4.907 4.550 -0.000 0.000 0.344 301 Y C -1.207 174.769 175.900 0.125 0.000 0.976 301 Y CA -1.334 56.822 58.100 0.093 0.000 1.040 301 Y CB 1.601 40.088 38.460 0.046 0.000 1.228 301 Y HN -0.088 nan 8.280 nan 0.000 0.451 302 F N 4.590 124.622 119.950 0.137 0.000 2.460 302 F HA 0.707 5.233 4.527 -0.000 0.000 0.341 302 F C -1.576 174.242 175.800 0.029 0.000 1.130 302 F CA -0.976 57.019 58.000 -0.008 0.000 0.962 302 F CB 0.741 39.705 39.000 -0.061 0.000 1.171 302 F HN 0.335 nan 8.300 nan 0.000 0.436 303 L N 5.932 126.978 121.223 -0.295 0.000 2.333 303 L HA 0.549 4.889 4.340 -0.000 0.000 0.280 303 L C -0.710 176.011 176.870 -0.249 0.000 1.004 303 L CA -0.639 54.104 54.840 -0.161 0.000 0.820 303 L CB 1.831 43.835 42.059 -0.091 0.000 1.247 303 L HN 0.569 nan 8.230 nan 0.000 0.416 304 Q N 3.568 123.320 119.800 -0.079 0.000 2.356 304 Q HA 0.669 5.009 4.340 -0.000 0.000 0.270 304 Q C -1.515 174.499 176.000 0.023 0.000 1.058 304 Q CA -0.606 55.197 55.803 -0.000 0.000 0.802 304 Q CB 2.611 31.447 28.738 0.164 0.000 1.303 304 Q HN 0.615 nan 8.270 nan 0.000 0.444 305 I N 3.097 123.673 120.570 0.011 0.000 2.418 305 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 305 I C -0.907 175.208 176.117 -0.002 0.000 1.008 305 I CA -0.505 60.796 61.300 0.002 0.000 1.104 305 I CB 1.805 39.797 38.000 -0.013 0.000 1.264 305 I HN 0.547 nan 8.210 nan 0.000 0.438 306 D N 4.723 125.129 120.400 0.010 0.000 2.706 306 D HA 0.260 4.900 4.640 -0.000 0.000 0.225 306 D C 0.028 176.332 176.300 0.007 0.000 1.241 306 D CA -0.477 53.526 54.000 0.004 0.000 0.784 306 D CB 2.892 43.707 40.800 0.025 0.000 1.521 306 D HN 0.470 nan 8.370 nan 0.000 0.461 307 I N 0.987 121.556 120.570 -0.001 0.000 2.761 307 I HA -0.074 4.096 4.170 -0.000 0.000 0.261 307 I C 0.277 176.396 176.117 0.002 0.000 1.198 307 I CA 0.662 61.962 61.300 -0.000 0.000 1.482 307 I CB 0.341 38.340 38.000 -0.003 0.000 1.100 307 I HN 0.204 nan 8.210 nan 0.000 0.445 308 D N 0.659 121.059 120.400 0.001 0.000 2.329 308 D HA 0.164 4.804 4.640 -0.000 0.000 0.232 308 D C -1.621 174.689 176.300 0.016 0.000 1.088 308 D CA -2.673 51.328 54.000 0.001 0.000 0.835 308 D CB 1.434 42.223 40.800 -0.017 0.000 1.078 308 D HN -0.008 nan 8.370 nan 0.000 0.495 309 P HA -0.138 nan 4.420 nan 0.000 0.219 309 P C 0.956 178.273 177.300 0.028 0.000 1.146 309 P CA 0.716 63.830 63.100 0.023 0.000 0.808 309 P CB 0.173 31.883 31.700 0.017 0.000 0.779 310 A N 0.082 122.914 122.820 0.022 0.000 2.121 310 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 310 A C 1.997 179.607 177.584 0.043 0.000 1.154 310 A CA 1.260 53.312 52.037 0.025 0.000 0.679 310 A CB -0.626 18.382 19.000 0.012 0.000 0.795 310 A HN 0.078 nan 8.150 nan 0.000 0.458 311 K N -0.515 119.918 120.400 0.055 0.000 2.361 311 K HA 0.270 4.590 4.320 -0.000 0.000 0.194 311 K C 0.082 176.760 176.600 0.130 0.000 1.032 311 K CA 0.016 56.361 56.287 0.096 0.000 1.048 311 K CB -0.048 32.508 32.500 0.093 0.000 0.842 311 K HN 0.427 nan 8.250 nan 0.000 0.526 312 L N 1.559 122.841 121.223 0.100 0.000 2.456 312 L HA 0.110 4.450 4.340 -0.000 0.000 0.277 312 L C 0.981 177.916 176.870 0.109 0.000 1.124 312 L CA 0.289 55.197 54.840 0.112 0.000 0.880 312 L CB -0.043 42.063 42.059 0.078 0.000 1.192 312 L HN 0.482 nan 8.230 nan 0.000 0.463 313 G N 2.590 111.479 108.800 0.149 0.000 2.148 313 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.254 313 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.254 313 G C 1.090 176.025 174.900 0.058 0.000 0.981 313 G CA 0.633 45.792 45.100 0.098 0.000 0.670 313 G HN 0.732 nan 8.290 nan 0.000 0.528 314 K N -0.207 120.254 120.400 0.103 0.000 2.025 314 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 314 K C 2.425 179.063 176.600 0.064 0.000 1.049 314 K CA 1.182 57.519 56.287 0.085 0.000 0.933 314 K CB -0.129 32.443 32.500 0.121 0.000 0.714 314 K HN 0.255 nan 8.250 nan 0.000 0.438 315 R N -0.565 119.987 120.500 0.085 0.000 2.290 315 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 315 R C 0.197 176.438 176.300 -0.098 0.000 0.913 315 R CA 0.351 56.487 56.100 0.060 0.000 1.040 315 R CB 0.261 30.675 30.300 0.190 0.000 0.992 315 R HN 0.366 nan 8.270 nan 0.000 0.500 316 H N -0.377 118.411 119.070 -0.471 0.000 3.060 316 H HA 0.152 4.708 4.556 -0.000 0.000 0.330 316 H C -1.101 173.943 175.328 -0.473 0.000 1.305 316 H CA -0.681 54.953 56.048 -0.690 0.000 1.209 316 H CB 2.093 30.851 29.762 -1.673 0.000 1.913 316 H HN -0.181 nan 8.280 nan 0.000 0.534 317 K N 2.078 122.116 120.400 -0.602 0.000 2.451 317 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 317 K C -0.114 176.490 176.600 0.007 0.000 1.020 317 K CA 0.237 56.379 56.287 -0.242 0.000 1.008 317 K CB 0.396 32.753 32.500 -0.237 0.000 0.917 317 K HN 0.583 nan 8.250 nan 0.000 0.478 318 T N 0.498 115.127 114.554 0.125 0.000 2.909 318 T HA 0.183 4.533 4.350 -0.000 0.000 0.286 318 T C 0.469 175.276 174.700 0.177 0.000 1.002 318 T CA -0.811 61.445 62.100 0.260 0.000 1.074 318 T CB 1.304 70.307 68.868 0.226 0.000 0.984 318 T HN 0.551 nan 8.240 nan 0.000 0.495 319 D N 1.137 121.656 120.400 0.199 0.000 2.277 319 D HA 0.197 4.837 4.640 -0.000 0.000 0.209 319 D C 0.379 176.714 176.300 0.058 0.000 0.970 319 D CA 0.783 54.859 54.000 0.128 0.000 0.874 319 D CB 0.549 41.447 40.800 0.164 0.000 0.982 319 D HN 0.527 nan 8.370 nan 0.000 0.504 320 I N 0.428 121.032 120.570 0.057 0.000 2.607 320 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 320 I C -1.164 174.978 176.117 0.042 0.000 1.129 320 I CA -0.786 60.530 61.300 0.026 0.000 1.042 320 I CB 2.539 40.533 38.000 -0.010 0.000 1.242 320 I HN -0.230 nan 8.210 nan 0.000 0.421 321 A N 5.822 128.667 122.820 0.042 0.000 2.343 321 A HA 0.846 5.165 4.320 -0.000 0.000 0.308 321 A C -1.201 176.402 177.584 0.032 0.000 1.092 321 A CA -0.555 51.514 52.037 0.052 0.000 0.751 321 A CB 1.565 20.607 19.000 0.071 0.000 1.203 321 A HN 0.401 nan 8.150 nan 0.000 0.452 322 V N 3.478 123.408 119.914 0.026 0.000 2.378 322 V HA 0.282 4.402 4.120 -0.000 0.000 0.288 322 V C -0.519 175.585 176.094 0.017 0.000 1.016 322 V CA -0.375 61.934 62.300 0.015 0.000 0.840 322 V CB 1.362 33.188 31.823 0.004 0.000 0.994 322 V HN 0.795 nan 8.190 nan 0.000 0.431 323 L N 6.139 127.371 121.223 0.016 0.000 2.375 323 L HA 0.771 5.111 4.340 -0.000 0.000 0.276 323 L C 0.236 177.110 176.870 0.007 0.000 1.162 323 L CA 0.525 55.373 54.840 0.014 0.000 0.991 323 L CB -0.363 41.705 42.059 0.015 0.000 1.315 323 L HN 0.812 nan 8.230 nan 0.000 0.431 324 A N 2.892 125.715 122.820 0.004 0.000 2.601 324 A HA 0.408 4.728 4.320 -0.000 0.000 0.291 324 A C -1.253 176.329 177.584 -0.004 0.000 1.075 324 A CA -0.838 51.198 52.037 -0.001 0.000 0.671 324 A CB 0.538 19.536 19.000 -0.004 0.000 1.277 324 A HN 0.477 nan 8.150 nan 0.000 0.417 325 D N 0.976 121.372 120.400 -0.006 0.000 2.493 325 D HA 0.381 5.021 4.640 -0.000 0.000 0.240 325 D C 1.374 177.667 176.300 -0.012 0.000 1.142 325 D CA 1.007 55.002 54.000 -0.008 0.000 0.872 325 D CB 1.129 41.924 40.800 -0.008 0.000 1.173 325 D HN 0.819 nan 8.370 nan 0.000 0.467 326 A N 3.719 126.530 122.820 -0.014 0.000 1.865 326 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 326 A C 1.997 179.564 177.584 -0.028 0.000 1.191 326 A CA 1.968 53.992 52.037 -0.021 0.000 0.623 326 A CB -0.821 18.166 19.000 -0.022 0.000 0.826 326 A HN 0.832 nan 8.150 nan 0.000 0.444 327 Q N -0.352 119.432 119.800 -0.028 0.000 2.079 327 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 327 Q C 1.995 177.978 176.000 -0.029 0.000 0.974 327 Q CA 1.767 57.550 55.803 -0.034 0.000 0.840 327 Q CB -0.142 28.578 28.738 -0.031 0.000 0.898 327 Q HN 0.689 nan 8.270 nan 0.000 0.430 328 K N -0.469 119.918 120.400 -0.022 0.000 2.057 328 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 328 K C 2.096 178.684 176.600 -0.020 0.000 1.049 328 K CA 1.797 58.072 56.287 -0.019 0.000 0.931 328 K CB -0.062 32.429 32.500 -0.015 0.000 0.714 328 K HN 0.237 nan 8.250 nan 0.000 0.440 329 T N 1.774 116.316 114.554 -0.019 0.000 2.812 329 T HA -0.041 4.309 4.350 -0.000 0.000 0.264 329 T C 1.897 176.584 174.700 -0.021 0.000 1.042 329 T CA 0.898 62.987 62.100 -0.018 0.000 1.140 329 T CB -0.124 68.734 68.868 -0.015 0.000 0.870 329 T HN 0.082 nan 8.240 nan 0.000 0.445 330 L N 0.815 122.022 121.223 -0.027 0.000 2.093 330 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 330 L C 3.040 179.890 176.870 -0.033 0.000 1.085 330 L CA 0.993 55.814 54.840 -0.031 0.000 0.755 330 L CB -0.652 41.380 42.059 -0.045 0.000 0.904 330 L HN 0.234 nan 8.230 nan 0.000 0.435 331 A N 0.190 122.991 122.820 -0.033 0.000 1.902 331 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 331 A C 2.529 180.098 177.584 -0.025 0.000 1.181 331 A CA 1.827 53.845 52.037 -0.030 0.000 0.623 331 A CB -0.725 18.258 19.000 -0.028 0.000 0.818 331 A HN 0.394 nan 8.150 nan 0.000 0.443 332 A N -0.269 122.538 122.820 -0.022 0.000 1.930 332 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 332 A C 2.095 179.667 177.584 -0.020 0.000 1.175 332 A CA 1.441 53.467 52.037 -0.020 0.000 0.627 332 A CB -0.581 18.409 19.000 -0.017 0.000 0.815 332 A HN 0.507 nan 8.150 nan 0.000 0.443 333 I N -0.954 119.604 120.570 -0.021 0.000 2.179 333 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 333 I C 2.394 178.497 176.117 -0.022 0.000 1.088 333 I CA 1.255 62.543 61.300 -0.020 0.000 1.357 333 I CB -0.290 37.699 38.000 -0.018 0.000 1.051 333 I HN 0.377 nan 8.210 nan 0.000 0.409 334 L N 1.164 122.371 121.223 -0.025 0.000 2.083 334 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 334 L C 2.428 179.282 176.870 -0.026 0.000 1.083 334 L CA 1.956 56.779 54.840 -0.028 0.000 0.752 334 L CB -0.643 41.395 42.059 -0.033 0.000 0.899 334 L HN 0.196 nan 8.230 nan 0.000 0.433 335 A N -0.849 121.957 122.820 -0.023 0.000 2.121 335 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 335 A C 1.941 179.514 177.584 -0.019 0.000 1.154 335 A CA 1.294 53.318 52.037 -0.021 0.000 0.679 335 A CB -0.526 18.462 19.000 -0.019 0.000 0.795 335 A HN 0.761 nan 8.150 nan 0.000 0.458 336 Q N -0.334 119.454 119.800 -0.020 0.000 2.159 336 Q HA 0.367 4.707 4.340 -0.000 0.000 0.217 336 Q C -0.146 175.842 176.000 -0.021 0.000 0.818 336 Q CA 0.189 55.981 55.803 -0.019 0.000 1.008 336 Q CB -0.050 28.677 28.738 -0.018 0.000 1.148 336 Q HN 0.474 nan 8.270 nan 0.000 0.491 337 V N -1.705 118.195 119.914 -0.023 0.000 3.074 337 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 337 V C -0.364 175.713 176.094 -0.028 0.000 1.117 337 V CA -0.328 61.956 62.300 -0.026 0.000 1.014 337 V CB 1.772 33.577 31.823 -0.029 0.000 1.057 337 V HN 0.321 nan 8.190 nan 0.000 0.438 338 S N -0.037 115.645 115.700 -0.030 0.000 2.740 338 S HA 0.668 5.138 4.470 -0.000 0.000 0.300 338 S C -0.377 174.198 174.600 -0.041 0.000 1.147 338 S CA -0.619 57.562 58.200 -0.031 0.000 0.871 338 S CB 1.424 64.610 63.200 -0.025 0.000 1.173 338 S HN 1.223 nan 8.310 nan 0.000 0.510 339 E N 0.997 121.172 120.200 -0.042 0.000 2.694 339 E HA 0.024 4.374 4.350 -0.000 0.000 0.250 339 E C -0.399 176.164 176.600 -0.062 0.000 0.963 339 E CA 0.640 57.006 56.400 -0.055 0.000 0.949 339 E CB 0.196 29.871 29.700 -0.041 0.000 0.911 339 E HN 0.439 nan 8.360 nan 0.000 0.500 340 R N 4.099 124.543 120.500 -0.093 0.000 2.540 340 R HA 0.226 4.566 4.340 -0.000 0.000 0.287 340 R C 0.005 176.239 176.300 -0.110 0.000 0.980 340 R CA -0.806 55.238 56.100 -0.093 0.000 0.966 340 R CB 1.024 31.258 30.300 -0.110 0.000 1.106 340 R HN 0.657 nan 8.270 nan 0.000 0.480 341 E N 1.022 121.179 120.200 -0.072 0.000 2.437 341 E HA -0.064 4.286 4.350 -0.000 0.000 0.263 341 E C 0.011 176.554 176.600 -0.095 0.000 1.030 341 E CA 0.305 56.671 56.400 -0.057 0.000 0.934 341 E CB 0.781 30.473 29.700 -0.015 0.000 0.943 341 E HN 0.394 nan 8.360 nan 0.000 0.444 342 S N 1.462 117.121 115.700 -0.068 0.000 2.554 342 S HA -0.031 4.439 4.470 -0.000 0.000 0.290 342 S C -0.084 174.545 174.600 0.048 0.000 1.309 342 S CA 0.361 58.553 58.200 -0.013 0.000 1.047 342 S CB 0.267 63.548 63.200 0.135 0.000 0.828 342 S HN 0.550 nan 8.310 nan 0.000 0.509 343 T N 2.002 116.627 114.554 0.119 0.000 2.916 343 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 343 T C -2.381 172.415 174.700 0.160 0.000 1.064 343 T CA -1.739 60.449 62.100 0.147 0.000 1.011 343 T CB 1.331 70.305 68.868 0.177 0.000 1.152 343 T HN 0.331 nan 8.240 nan 0.000 0.510 344 P HA -0.058 nan 4.420 nan 0.000 0.215 344 P C 1.365 178.745 177.300 0.134 0.000 1.153 344 P CA 0.777 63.959 63.100 0.137 0.000 0.853 344 P CB -0.053 31.791 31.700 0.240 0.000 0.788 345 W N -0.283 121.045 121.300 0.046 0.000 2.335 345 W HA -0.203 4.457 4.660 0.000 0.000 0.311 345 W C 2.036 178.584 176.519 0.049 0.000 1.213 345 W CA 0.993 58.371 57.345 0.054 0.000 1.274 345 W CB -0.969 28.540 29.460 0.082 0.000 1.148 345 W HN 0.067 nan 8.180 nan 0.000 0.498 346 W N 1.709 122.942 121.300 -0.112 0.000 2.355 346 W HA -0.252 4.408 4.660 -0.000 0.000 0.309 346 W C 2.162 178.449 176.519 -0.387 0.000 1.206 346 W CA 1.645 58.831 57.345 -0.265 0.000 1.284 346 W CB -0.512 28.887 29.460 -0.102 0.000 1.145 346 W HN 0.009 nan 8.180 nan 0.000 0.502 347 Q N 0.600 120.131 119.800 -0.448 0.000 2.084 347 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 347 Q C 2.495 177.995 176.000 -0.835 0.000 0.978 347 Q CA 1.948 57.218 55.803 -0.888 0.000 0.844 347 Q CB -1.249 26.571 28.738 -1.530 0.000 0.898 347 Q HN 0.403 nan 8.270 nan 0.000 0.426 348 A N 1.862 124.324 122.820 -0.596 0.000 1.908 348 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 348 A C 1.942 179.320 177.584 -0.342 0.000 1.181 348 A CA 1.716 53.651 52.037 -0.170 0.000 0.627 348 A CB -0.556 18.462 19.000 0.030 0.000 0.818 348 A HN 0.359 nan 8.150 nan 0.000 0.445 349 N N -0.160 118.208 118.700 -0.555 0.000 2.188 349 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 349 N C 1.757 176.918 175.510 -0.582 0.000 1.018 349 N CA 1.289 53.976 53.050 -0.606 0.000 0.858 349 N CB -0.313 37.714 38.487 -0.766 0.000 0.989 349 N HN 0.493 nan 8.380 nan 0.000 0.426 350 L N 0.924 121.737 121.223 -0.684 0.000 2.046 350 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 350 L C 2.517 179.086 176.870 -0.502 0.000 1.077 350 L CA 1.007 55.456 54.840 -0.652 0.000 0.747 350 L CB -0.446 41.146 42.059 -0.778 0.000 0.896 350 L HN 0.110 nan 8.230 nan 0.000 0.432 351 A N -0.013 122.497 122.820 -0.517 0.000 1.930 351 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 351 A C 2.057 179.097 177.584 -0.907 0.000 1.175 351 A CA 1.947 53.617 52.037 -0.613 0.000 0.627 351 A CB -0.615 18.057 19.000 -0.547 0.000 0.815 351 A HN 0.429 nan 8.150 nan 0.000 0.443 352 N N 0.163 118.362 118.700 -0.835 0.000 2.120 352 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 352 N C 1.532 176.888 175.510 -0.257 0.000 1.024 352 N CA 1.669 54.409 53.050 -0.516 0.000 0.852 352 N CB -0.380 37.953 38.487 -0.256 0.000 1.003 352 N HN 0.159 nan 8.380 nan 0.000 0.424 353 V N 1.089 120.837 119.914 -0.277 0.000 2.287 353 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 353 V C 2.210 178.264 176.094 -0.068 0.000 1.053 353 V CA 1.704 63.918 62.300 -0.143 0.000 1.027 353 V CB -0.443 31.246 31.823 -0.223 0.000 0.646 353 V HN 0.374 nan 8.190 nan 0.000 0.447 354 K N 0.160 120.461 120.400 -0.166 0.000 2.063 354 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 354 K C 2.174 178.745 176.600 -0.048 0.000 1.048 354 K CA 1.720 57.938 56.287 -0.114 0.000 0.928 354 K CB -0.448 31.964 32.500 -0.148 0.000 0.713 354 K HN 0.533 nan 8.250 nan 0.000 0.442 355 N N 0.601 119.273 118.700 -0.047 0.000 2.120 355 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 355 N C 1.717 177.320 175.510 0.156 0.000 1.024 355 N CA 1.106 54.195 53.050 0.066 0.000 0.852 355 N CB -0.109 38.456 38.487 0.129 0.000 1.003 355 N HN 0.423 nan 8.380 nan 0.000 0.424 356 W N 1.988 123.266 121.300 -0.038 0.000 2.355 356 W HA -0.120 4.540 4.660 0.000 0.000 0.309 356 W C 1.905 178.444 176.519 0.034 0.000 1.206 356 W CA 0.854 58.201 57.345 0.003 0.000 1.284 356 W CB -0.175 29.248 29.460 -0.062 0.000 1.145 356 W HN 0.105 nan 8.180 nan 0.000 0.502 357 R N 0.283 120.731 120.500 -0.085 0.000 2.096 357 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 357 R C 2.520 178.705 176.300 -0.190 0.000 1.127 357 R CA 1.497 57.467 56.100 -0.218 0.000 0.968 357 R CB -0.786 29.459 30.300 -0.092 0.000 0.861 357 R HN 0.154 nan 8.270 nan 0.000 0.440 358 A N 0.622 123.386 122.820 -0.092 0.000 1.902 358 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 358 A C 1.947 179.484 177.584 -0.079 0.000 1.181 358 A CA 1.168 53.165 52.037 -0.067 0.000 0.623 358 A CB -0.719 18.273 19.000 -0.013 0.000 0.818 358 A HN 0.439 nan 8.150 nan 0.000 0.443 359 Y N 0.812 120.994 120.300 -0.198 0.000 2.081 359 Y HA -0.253 4.297 4.550 0.000 0.000 0.280 359 Y C 1.958 177.639 175.900 -0.364 0.000 1.163 359 Y CA 2.120 60.066 58.100 -0.257 0.000 1.135 359 Y CB -0.470 37.840 38.460 -0.251 0.000 0.970 359 Y HN 0.229 nan 8.280 nan 0.000 0.498 360 L N -0.327 120.482 121.223 -0.689 0.000 2.046 360 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 360 L C 2.831 179.478 176.870 -0.373 0.000 1.077 360 L CA 1.146 55.583 54.840 -0.673 0.000 0.747 360 L CB -1.168 40.479 42.059 -0.686 0.000 0.896 360 L HN 0.341 nan 8.230 nan 0.000 0.432 361 A N 0.456 123.109 122.820 -0.277 0.000 1.908 361 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 361 A C 2.567 180.036 177.584 -0.192 0.000 1.181 361 A CA 2.234 54.162 52.037 -0.181 0.000 0.627 361 A CB -0.824 18.097 19.000 -0.132 0.000 0.818 361 A HN 0.540 nan 8.150 nan 0.000 0.445 362 S N 0.053 115.617 115.700 -0.227 0.000 2.383 362 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 362 S C 1.899 176.359 174.600 -0.233 0.000 1.030 362 S CA 1.578 59.662 58.200 -0.194 0.000 1.002 362 S CB -0.754 62.353 63.200 -0.155 0.000 0.829 362 S HN 0.476 nan 8.310 nan 0.000 0.467 363 L N 0.980 121.976 121.223 -0.378 0.000 2.027 363 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 363 L C 2.945 179.705 176.870 -0.184 0.000 1.074 363 L CA 1.687 56.311 54.840 -0.361 0.000 0.745 363 L CB -0.692 40.904 42.059 -0.772 0.000 0.898 363 L HN 0.366 nan 8.230 nan 0.000 0.433 364 E N 0.114 120.197 120.200 -0.195 0.000 2.153 364 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 364 E C 1.193 177.721 176.600 -0.119 0.000 0.988 364 E CA 1.147 57.454 56.400 -0.155 0.000 0.811 364 E CB -0.012 29.605 29.700 -0.137 0.000 0.746 364 E HN 0.439 nan 8.360 nan 0.000 0.466 365 D N 0.589 120.922 120.400 -0.111 0.000 2.340 365 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 365 D C -0.124 176.134 176.300 -0.070 0.000 1.039 365 D CA 0.303 54.251 54.000 -0.087 0.000 0.866 365 D CB 0.124 40.876 40.800 -0.080 0.000 0.913 365 D HN 0.047 nan 8.370 nan 0.000 0.523 366 K N 0.901 121.261 120.400 -0.067 0.000 2.485 366 K HA 0.008 4.328 4.320 -0.000 0.000 0.277 366 K C 1.127 177.698 176.600 -0.048 0.000 0.990 366 K CA 0.340 56.598 56.287 -0.049 0.000 0.994 366 K CB 0.824 33.303 32.500 -0.035 0.000 0.906 366 K HN -0.066 nan 8.250 nan 0.000 0.488 367 Q N 1.406 121.183 119.800 -0.038 0.000 2.316 367 Q HA 0.026 4.366 4.340 -0.000 0.000 0.235 367 Q C -0.177 175.805 176.000 -0.030 0.000 0.863 367 Q CA 0.682 56.463 55.803 -0.037 0.000 0.939 367 Q CB 0.883 29.602 28.738 -0.032 0.000 1.108 367 Q HN 0.795 nan 8.270 nan 0.000 0.522 368 E N -1.625 118.560 120.200 -0.025 0.000 2.407 368 E HA 0.612 4.962 4.350 -0.000 0.000 0.279 368 E C -0.278 176.311 176.600 -0.018 0.000 1.012 368 E CA -0.613 55.775 56.400 -0.020 0.000 0.800 368 E CB 1.923 31.613 29.700 -0.016 0.000 1.276 368 E HN 0.007 nan 8.360 nan 0.000 0.452 369 G N 0.671 109.462 108.800 -0.015 0.000 2.343 369 G HA2 0.018 3.978 3.960 -0.000 0.000 0.562 369 G HA3 0.018 3.978 3.960 -0.000 0.000 0.562 369 G C -3.032 171.859 174.900 -0.015 0.000 1.269 369 G CA -0.684 44.408 45.100 -0.013 0.000 1.011 369 G HN 0.511 nan 8.290 nan 0.000 0.498 370 P HA 0.400 nan 4.420 nan 0.000 0.267 370 P C 0.140 177.424 177.300 -0.027 0.000 1.209 370 P CA -0.370 62.718 63.100 -0.019 0.000 0.763 370 P CB 0.739 32.428 31.700 -0.018 0.000 0.816 371 L N 4.521 125.725 121.223 -0.032 0.000 2.499 371 L HA 0.046 4.386 4.340 -0.000 0.000 0.273 371 L C 0.219 177.047 176.870 -0.070 0.000 1.195 371 L CA 0.981 55.792 54.840 -0.047 0.000 0.882 371 L CB -0.311 41.723 42.059 -0.042 0.000 1.133 371 L HN 0.403 nan 8.230 nan 0.000 0.483 372 Q N 3.196 122.933 119.800 -0.105 0.000 2.378 372 Q HA 0.575 4.915 4.340 -0.000 0.000 0.276 372 Q C 0.906 176.756 176.000 -0.249 0.000 1.083 372 Q CA -0.302 55.371 55.803 -0.218 0.000 0.856 372 Q CB 1.414 29.963 28.738 -0.315 0.000 1.383 372 Q HN 0.769 nan 8.270 nan 0.000 0.458 373 A N 0.300 122.912 122.820 -0.347 0.000 1.940 373 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 373 A C 1.485 178.955 177.584 -0.190 0.000 1.176 373 A CA 1.726 53.691 52.037 -0.120 0.000 0.631 373 A CB -0.819 18.087 19.000 -0.155 0.000 0.814 373 A HN 0.765 nan 8.150 nan 0.000 0.446 374 Y N 0.042 120.240 120.300 -0.170 0.000 2.165 374 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 374 Y C 2.547 178.200 175.900 -0.412 0.000 1.155 374 Y CA 1.573 59.368 58.100 -0.507 0.000 1.164 374 Y CB -1.088 37.100 38.460 -0.453 0.000 0.978 374 Y HN 0.377 nan 8.280 nan 0.000 0.513 375 Q N -0.271 119.460 119.800 -0.116 0.000 2.187 375 Q HA -0.047 4.293 4.340 -0.000 0.000 0.199 375 Q C 2.384 178.263 176.000 -0.203 0.000 0.957 375 Q CA 1.152 56.867 55.803 -0.146 0.000 0.857 375 Q CB -0.501 28.173 28.738 -0.106 0.000 0.929 375 Q HN 0.348 nan 8.270 nan 0.000 0.453 376 V N 0.630 120.452 119.914 -0.154 0.000 2.287 376 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 376 V C 2.055 178.036 176.094 -0.187 0.000 1.053 376 V CA 1.650 63.838 62.300 -0.186 0.000 1.027 376 V CB -0.597 31.167 31.823 -0.098 0.000 0.646 376 V HN 0.319 nan 8.190 nan 0.000 0.447 377 L N -0.315 120.880 121.223 -0.048 0.000 2.046 377 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 377 L C 2.806 179.579 176.870 -0.161 0.000 1.077 377 L CA 1.571 56.376 54.840 -0.057 0.000 0.747 377 L CB -0.676 41.365 42.059 -0.030 0.000 0.896 377 L HN 0.254 nan 8.230 nan 0.000 0.432 378 R N 0.790 121.166 120.500 -0.207 0.000 2.091 378 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 378 R C 2.142 178.289 176.300 -0.254 0.000 1.136 378 R CA 1.854 57.839 56.100 -0.193 0.000 0.959 378 R CB -0.357 29.836 30.300 -0.179 0.000 0.856 378 R HN 0.365 nan 8.270 nan 0.000 0.437 379 A N 0.342 122.907 122.820 -0.424 0.000 1.969 379 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 379 A C 2.437 179.651 177.584 -0.618 0.000 1.169 379 A CA 1.374 52.999 52.037 -0.686 0.000 0.635 379 A CB -0.453 17.784 19.000 -1.272 0.000 0.810 379 A HN 0.203 nan 8.150 nan 0.000 0.445 380 V N 1.099 120.739 119.914 -0.456 0.000 2.255 380 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 380 V C 2.343 178.379 176.094 -0.097 0.000 1.051 380 V CA 2.232 64.449 62.300 -0.138 0.000 1.018 380 V CB -0.982 30.741 31.823 -0.167 0.000 0.641 380 V HN 0.563 nan 8.190 nan 0.000 0.445 381 N N 0.307 118.940 118.700 -0.112 0.000 2.094 381 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 381 N C 1.749 177.255 175.510 -0.006 0.000 1.023 381 N CA 1.274 54.295 53.050 -0.048 0.000 0.857 381 N CB -0.377 38.073 38.487 -0.060 0.000 1.013 381 N HN 0.399 nan 8.380 nan 0.000 0.426 382 K N 0.967 121.345 120.400 -0.038 0.000 2.209 382 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 382 K C 1.907 178.542 176.600 0.059 0.000 1.048 382 K CA 0.617 56.900 56.287 -0.006 0.000 0.940 382 K CB -0.201 32.272 32.500 -0.045 0.000 0.729 382 K HN 0.523 nan 8.250 nan 0.000 0.451 383 I N -2.876 117.769 120.570 0.126 0.000 3.956 383 I HA 0.274 4.444 4.170 -0.000 0.000 0.333 383 I C 0.516 176.790 176.117 0.263 0.000 1.302 383 I CA -0.441 60.980 61.300 0.203 0.000 1.122 383 I CB 0.318 38.492 38.000 0.291 0.000 1.013 383 I HN -0.254 nan 8.210 nan 0.000 0.405 384 A N 1.906 124.880 122.820 0.257 0.000 2.362 384 A HA 0.344 4.664 4.320 -0.000 0.000 0.276 384 A C 0.145 177.851 177.584 0.204 0.000 1.153 384 A CA -0.230 52.002 52.037 0.325 0.000 0.813 384 A CB 0.035 19.198 19.000 0.272 0.000 1.081 384 A HN 0.479 nan 8.150 nan 0.000 0.507 385 E N 2.793 123.100 120.200 0.179 0.000 2.390 385 E HA 0.107 4.457 4.350 -0.000 0.000 0.261 385 E C -1.444 175.220 176.600 0.107 0.000 1.076 385 E CA -1.518 54.945 56.400 0.104 0.000 0.905 385 E CB 0.472 30.207 29.700 0.059 0.000 0.984 385 E HN 0.446 nan 8.360 nan 0.000 0.427 386 P HA -0.155 nan 4.420 nan 0.000 0.221 386 P C 0.078 177.423 177.300 0.075 0.000 1.145 386 P CA 1.230 64.374 63.100 0.074 0.000 0.795 386 P CB 0.112 31.843 31.700 0.051 0.000 0.775 387 D N -1.886 118.549 120.400 0.057 0.000 2.559 387 D HA 0.253 4.893 4.640 -0.000 0.000 0.234 387 D C 0.263 176.572 176.300 0.016 0.000 1.226 387 D CA -0.760 53.260 54.000 0.034 0.000 0.830 387 D CB -0.692 40.113 40.800 0.008 0.000 1.028 387 D HN -0.030 nan 8.370 nan 0.000 0.492 388 A N 0.538 123.391 122.820 0.054 0.000 2.466 388 A HA 0.410 4.730 4.320 -0.000 0.000 0.238 388 A C 0.228 177.762 177.584 -0.084 0.000 1.074 388 A CA -0.069 51.951 52.037 -0.028 0.000 0.774 388 A CB 0.174 19.181 19.000 0.011 0.000 1.015 388 A HN 0.397 nan 8.150 nan 0.000 0.498 389 I N 0.914 121.378 120.570 -0.176 0.000 2.404 389 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 389 I C -1.296 174.742 176.117 -0.131 0.000 0.992 389 I CA -0.306 60.944 61.300 -0.083 0.000 1.149 389 I CB 1.437 39.381 38.000 -0.094 0.000 1.315 389 I HN 0.590 nan 8.210 nan 0.000 0.446 390 Y N 3.859 124.276 120.300 0.196 0.000 2.328 390 Y HA 0.346 4.896 4.550 0.000 0.000 0.337 390 Y C 0.427 176.436 175.900 0.182 0.000 0.966 390 Y CA -0.645 57.591 58.100 0.227 0.000 1.136 390 Y CB 1.938 40.509 38.460 0.185 0.000 1.170 390 Y HN 0.417 nan 8.280 nan 0.000 0.470 391 S N 5.077 120.945 115.700 0.280 0.000 2.422 391 S HA 0.667 5.137 4.470 -0.000 0.000 0.308 391 S C -0.763 173.961 174.600 0.207 0.000 1.097 391 S CA -0.422 57.897 58.200 0.199 0.000 1.099 391 S CB -0.227 63.053 63.200 0.132 0.000 0.976 391 S HN 0.579 nan 8.310 nan 0.000 0.471 392 I N 4.367 125.047 120.570 0.183 0.000 2.433 392 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 392 I C 0.722 176.896 176.117 0.095 0.000 1.001 392 I CA -0.792 60.602 61.300 0.157 0.000 1.119 392 I CB 1.622 39.738 38.000 0.193 0.000 1.289 392 I HN 0.632 nan 8.210 nan 0.000 0.438 393 D N 3.996 124.430 120.400 0.056 0.000 2.277 393 D HA 0.316 4.956 4.640 -0.000 0.000 0.279 393 D C -0.841 175.440 176.300 -0.032 0.000 1.197 393 D CA 0.156 54.165 54.000 0.016 0.000 1.037 393 D CB 1.323 42.130 40.800 0.011 0.000 1.128 393 D HN 0.105 nan 8.370 nan 0.000 0.531 394 V N -0.485 119.382 119.914 -0.078 0.000 2.577 394 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 394 V C 0.639 176.578 176.094 -0.259 0.000 1.042 394 V CA 0.279 62.475 62.300 -0.172 0.000 0.872 394 V CB 0.988 32.732 31.823 -0.132 0.000 0.998 394 V HN 0.913 nan 8.190 nan 0.000 0.423 395 G N 3.801 112.289 108.800 -0.521 0.000 2.288 395 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.227 395 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.227 395 G C -0.058 174.485 174.900 -0.594 0.000 1.339 395 G CA 0.085 44.855 45.100 -0.551 0.000 1.057 395 G HN 0.440 nan 8.290 nan 0.000 0.470 396 D N -0.361 119.989 120.400 -0.083 0.000 2.182 396 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 396 D C 2.383 178.586 176.300 -0.160 0.000 0.986 396 D CA 1.234 55.272 54.000 0.063 0.000 0.847 396 D CB -0.015 40.856 40.800 0.119 0.000 0.942 396 D HN 0.308 nan 8.370 nan 0.000 0.467 397 I N 1.261 121.664 120.570 -0.279 0.000 2.335 397 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 397 I C 1.299 177.251 176.117 -0.276 0.000 1.129 397 I CA 1.371 62.449 61.300 -0.369 0.000 1.402 397 I CB -0.303 37.468 38.000 -0.382 0.000 1.069 397 I HN -0.034 nan 8.210 nan 0.000 0.424 398 N N 0.135 118.643 118.700 -0.320 0.000 2.142 398 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 398 N C 1.925 177.177 175.510 -0.429 0.000 1.023 398 N CA 1.604 54.430 53.050 -0.375 0.000 0.852 398 N CB -0.385 37.801 38.487 -0.501 0.000 0.998 398 N HN 0.435 nan 8.380 nan 0.000 0.424 399 L N 0.810 121.865 121.223 -0.280 0.000 2.027 399 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 399 L C 1.583 178.431 176.870 -0.038 0.000 1.074 399 L CA 1.402 56.193 54.840 -0.083 0.000 0.745 399 L CB -0.222 41.952 42.059 0.192 0.000 0.898 399 L HN 0.193 nan 8.230 nan 0.000 0.433 400 N N 0.484 119.171 118.700 -0.022 0.000 2.106 400 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 400 N C 1.829 177.368 175.510 0.048 0.000 1.029 400 N CA 1.599 54.694 53.050 0.076 0.000 0.848 400 N CB -0.455 38.033 38.487 0.002 0.000 1.007 400 N HN 0.503 nan 8.380 nan 0.000 0.423 401 A N 1.189 123.962 122.820 -0.079 0.000 1.902 401 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 401 A C 2.153 179.692 177.584 -0.076 0.000 1.181 401 A CA 1.704 53.689 52.037 -0.088 0.000 0.623 401 A CB -0.824 18.112 19.000 -0.106 0.000 0.818 401 A HN 0.341 nan 8.150 nan 0.000 0.443 402 N N -0.133 118.531 118.700 -0.061 0.000 2.061 402 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 402 N C 1.861 177.369 175.510 -0.002 0.000 1.030 402 N CA 2.089 55.141 53.050 0.003 0.000 0.856 402 N CB -0.273 38.166 38.487 -0.079 0.000 1.023 402 N HN 0.547 nan 8.380 nan 0.000 0.424 403 R N -1.491 118.970 120.500 -0.065 0.000 2.073 403 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 403 R C 1.677 177.784 176.300 -0.321 0.000 1.120 403 R CA 1.241 57.228 56.100 -0.188 0.000 0.967 403 R CB -0.293 29.797 30.300 -0.350 0.000 0.862 403 R HN 0.490 nan 8.270 nan 0.000 0.436 404 H N -0.126 118.910 119.070 -0.057 0.000 2.557 404 H HA 0.200 4.756 4.556 0.000 0.000 0.281 404 H C 0.670 175.928 175.328 -0.118 0.000 0.990 404 H CA 0.035 56.029 56.048 -0.092 0.000 1.278 404 H CB 0.287 30.005 29.762 -0.074 0.000 1.451 404 H HN 0.008 nan 8.280 nan 0.000 0.516 405 L N 2.351 123.533 121.223 -0.067 0.000 2.453 405 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 405 L C 0.335 177.124 176.870 -0.135 0.000 1.182 405 L CA 0.392 55.118 54.840 -0.191 0.000 0.858 405 L CB 0.544 42.349 42.059 -0.423 0.000 1.120 405 L HN -0.105 nan 8.230 nan 0.000 0.474 406 K N 5.688 126.025 120.400 -0.104 0.000 2.296 406 K HA 0.478 4.798 4.320 -0.000 0.000 0.257 406 K C -0.833 175.743 176.600 -0.040 0.000 1.088 406 K CA -0.217 56.041 56.287 -0.048 0.000 0.980 406 K CB 0.719 33.208 32.500 -0.020 0.000 1.430 406 K HN 0.441 nan 8.250 nan 0.000 0.441 407 L N 1.493 122.684 121.223 -0.053 0.000 2.352 407 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 407 L C 0.631 177.499 176.870 -0.003 0.000 1.034 407 L CA -0.713 54.111 54.840 -0.026 0.000 0.806 407 L CB 1.793 43.810 42.059 -0.070 0.000 1.244 407 L HN 0.598 nan 8.230 nan 0.000 0.447 408 T N -3.181 111.388 114.554 0.025 0.000 2.838 408 T HA 0.406 4.756 4.350 -0.000 0.000 0.292 408 T C -2.449 172.267 174.700 0.026 0.000 1.113 408 T CA -1.722 60.388 62.100 0.016 0.000 1.008 408 T CB 1.799 70.681 68.868 0.023 0.000 1.259 408 T HN 0.206 nan 8.240 nan 0.000 0.520 409 P HA -0.043 nan 4.420 nan 0.000 0.220 409 P C 1.475 178.790 177.300 0.025 0.000 1.144 409 P CA 0.987 64.095 63.100 0.013 0.000 0.800 409 P CB -0.113 31.584 31.700 -0.006 0.000 0.772 410 S N -1.486 114.232 115.700 0.029 0.000 2.447 410 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 410 S C 0.850 175.473 174.600 0.038 0.000 1.006 410 S CA 0.641 58.859 58.200 0.029 0.000 0.957 410 S CB -0.886 62.333 63.200 0.032 0.000 0.773 410 S HN 0.357 nan 8.310 nan 0.000 0.507 411 N N 1.032 119.776 118.700 0.074 0.000 2.445 411 N HA 0.338 5.078 4.740 -0.000 0.000 0.264 411 N C -0.137 175.439 175.510 0.110 0.000 1.227 411 N CA -0.262 52.862 53.050 0.124 0.000 0.963 411 N CB 0.517 39.133 38.487 0.216 0.000 1.188 411 N HN -0.042 nan 8.380 nan 0.000 0.491 412 R N 0.631 121.207 120.500 0.127 0.000 2.686 412 R HA 0.396 4.736 4.340 -0.000 0.000 0.286 412 R C -1.086 175.387 176.300 0.288 0.000 0.969 412 R CA -0.826 55.348 56.100 0.124 0.000 0.898 412 R CB 1.058 31.351 30.300 -0.011 0.000 1.183 412 R HN 0.921 nan 8.270 nan 0.000 0.456 413 H N -0.403 118.736 119.070 0.116 0.000 2.894 413 H HA 0.758 5.314 4.556 -0.000 0.000 0.367 413 H C -0.480 174.884 175.328 0.061 0.000 1.144 413 H CA -1.018 55.114 56.048 0.141 0.000 1.180 413 H CB 1.579 31.411 29.762 0.117 0.000 1.758 413 H HN 0.563 nan 8.280 nan 0.000 0.541 414 I N -0.137 120.453 120.570 0.033 0.000 2.865 414 I HA 0.832 5.002 4.170 -0.000 0.000 0.302 414 I C -0.844 175.299 176.117 0.043 0.000 1.140 414 I CA -0.818 60.454 61.300 -0.046 0.000 1.021 414 I CB 2.549 40.547 38.000 -0.003 0.000 1.233 414 I HN 0.795 nan 8.210 nan 0.000 0.427 415 T N 1.041 115.603 114.554 0.014 0.000 2.645 415 T HA 0.343 4.693 4.350 -0.000 0.000 0.300 415 T C -1.116 173.610 174.700 0.043 0.000 1.210 415 T CA -0.438 61.700 62.100 0.064 0.000 1.034 415 T CB 1.846 70.796 68.868 0.136 0.000 1.537 415 T HN 0.753 nan 8.240 nan 0.000 0.492 416 S N 1.729 117.468 115.700 0.065 0.000 2.681 416 S HA 0.236 4.706 4.470 -0.000 0.000 0.313 416 S C 1.029 175.686 174.600 0.096 0.000 1.137 416 S CA -0.592 57.658 58.200 0.083 0.000 1.045 416 S CB -0.689 62.574 63.200 0.105 0.000 1.208 416 S HN 0.533 nan 8.310 nan 0.000 0.523 417 N N 3.598 122.343 118.700 0.075 0.000 2.120 417 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 417 N C 1.208 176.800 175.510 0.136 0.000 1.024 417 N CA 1.087 54.196 53.050 0.097 0.000 0.852 417 N CB -0.203 38.311 38.487 0.045 0.000 1.003 417 N HN 0.572 nan 8.380 nan 0.000 0.424 418 L N -1.671 119.631 121.223 0.131 0.000 2.586 418 L HA 0.304 4.644 4.340 -0.000 0.000 0.204 418 L C 1.582 178.563 176.870 0.185 0.000 1.053 418 L CA 0.417 55.337 54.840 0.135 0.000 0.856 418 L CB -0.691 41.442 42.059 0.124 0.000 1.192 418 L HN -0.108 nan 8.230 nan 0.000 0.484 419 F N 2.165 122.144 119.950 0.048 0.000 2.234 419 F HA 0.180 4.707 4.527 -0.000 0.000 0.299 419 F C 1.619 177.441 175.800 0.036 0.000 1.087 419 F CA 0.818 58.849 58.000 0.051 0.000 1.340 419 F CB -0.391 38.654 39.000 0.075 0.000 1.031 419 F HN 0.249 nan 8.300 nan 0.000 0.500 420 A N 0.794 123.672 122.820 0.098 0.000 2.739 420 A HA -0.246 4.074 4.320 -0.000 0.000 0.296 420 A C 0.762 178.272 177.584 -0.124 0.000 1.488 420 A CA 0.925 52.956 52.037 -0.010 0.000 0.746 420 A CB -2.669 16.321 19.000 -0.017 0.000 1.047 420 A HN 0.457 nan 8.150 nan 0.000 0.477 421 T N 0.738 115.250 114.554 -0.071 0.000 2.814 421 T HA 0.502 4.852 4.350 -0.000 0.000 0.297 421 T C 0.721 175.395 174.700 -0.042 0.000 0.956 421 T CA -0.044 62.000 62.100 -0.093 0.000 1.123 421 T CB -0.158 68.760 68.868 0.083 0.000 0.902 421 T HN 0.456 nan 8.240 nan 0.000 0.528 422 M N 3.974 123.530 119.600 -0.074 0.000 2.250 422 M HA 0.304 4.784 4.480 -0.000 0.000 0.325 422 M C 1.661 177.945 176.300 -0.027 0.000 1.084 422 M CA 1.392 56.664 55.300 -0.046 0.000 1.161 422 M CB 0.352 32.924 32.600 -0.047 0.000 1.481 422 M HN 1.012 nan 8.290 nan 0.000 0.449 423 G N 0.182 108.973 108.800 -0.015 0.000 2.194 423 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 423 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 423 G C 0.452 175.342 174.900 -0.017 0.000 0.987 423 G CA 0.291 45.378 45.100 -0.021 0.000 0.635 423 G HN 0.808 nan 8.290 nan 0.000 0.520 424 V N -0.350 119.564 119.914 -0.001 0.000 2.970 424 V HA 0.322 4.442 4.120 -0.000 0.000 0.260 424 V C 2.641 178.745 176.094 0.017 0.000 1.100 424 V CA 1.977 64.281 62.300 0.007 0.000 1.122 424 V CB -1.101 30.737 31.823 0.026 0.000 0.721 424 V HN 0.942 nan 8.190 nan 0.000 0.483 425 G N 1.245 110.062 108.800 0.027 0.000 2.514 425 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 425 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 425 G C 1.484 176.408 174.900 0.040 0.000 1.198 425 G CA 1.613 46.743 45.100 0.049 0.000 0.780 425 G HN 0.528 nan 8.290 nan 0.000 0.565 426 I N 1.932 122.513 120.570 0.018 0.000 2.099 426 I HA -0.134 4.036 4.170 -0.000 0.000 0.239 426 I C 0.094 176.208 176.117 -0.004 0.000 1.066 426 I CA 1.447 62.754 61.300 0.011 0.000 1.324 426 I CB -0.933 37.071 38.000 0.007 0.000 1.037 426 I HN 0.198 nan 8.210 nan 0.000 0.401 427 P HA -0.148 nan 4.420 nan 0.000 0.215 427 P C 1.626 178.893 177.300 -0.055 0.000 1.153 427 P CA 2.070 65.122 63.100 -0.080 0.000 0.853 427 P CB -0.372 31.256 31.700 -0.120 0.000 0.788 428 G N 0.285 109.077 108.800 -0.013 0.000 2.442 428 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 428 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 428 G C 1.739 176.668 174.900 0.050 0.000 1.141 428 G CA 1.068 46.183 45.100 0.024 0.000 0.763 428 G HN 0.389 nan 8.290 nan 0.000 0.554 429 A N 0.381 123.229 122.820 0.045 0.000 1.930 429 A HA 0.232 4.552 4.320 -0.000 0.000 0.215 429 A C 2.353 179.959 177.584 0.038 0.000 1.176 429 A CA 0.802 52.868 52.037 0.049 0.000 0.632 429 A CB -0.221 18.807 19.000 0.047 0.000 0.819 429 A HN 0.344 nan 8.150 nan 0.000 0.445 430 I N -0.038 120.547 120.570 0.024 0.000 2.163 430 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 430 I C 2.983 179.126 176.117 0.043 0.000 1.085 430 I CA 1.226 62.542 61.300 0.026 0.000 1.347 430 I CB -0.268 37.742 38.000 0.016 0.000 1.044 430 I HN 0.358 nan 8.210 nan 0.000 0.408 431 A N 0.543 123.402 122.820 0.065 0.000 1.902 431 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 431 A C 2.535 180.200 177.584 0.136 0.000 1.181 431 A CA 1.822 53.944 52.037 0.142 0.000 0.623 431 A CB -0.917 18.172 19.000 0.148 0.000 0.818 431 A HN 0.440 nan 8.150 nan 0.000 0.443 432 A N -0.184 122.720 122.820 0.139 0.000 1.908 432 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 432 A C 2.089 179.791 177.584 0.196 0.000 1.181 432 A CA 2.465 54.627 52.037 0.210 0.000 0.627 432 A CB -0.408 18.678 19.000 0.144 0.000 0.818 432 A HN 0.436 nan 8.150 nan 0.000 0.445 433 K N -0.057 120.396 120.400 0.087 0.000 2.155 433 K HA 0.077 4.397 4.320 -0.000 0.000 0.203 433 K C 1.700 178.304 176.600 0.005 0.000 1.052 433 K CA 1.121 57.437 56.287 0.049 0.000 0.948 433 K CB -0.545 31.963 32.500 0.014 0.000 0.728 433 K HN 0.475 nan 8.250 nan 0.000 0.448 434 L N 0.610 121.797 121.223 -0.060 0.000 2.056 434 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 434 L C 1.825 178.607 176.870 -0.147 0.000 1.078 434 L CA 1.188 55.906 54.840 -0.203 0.000 0.749 434 L CB -0.422 41.318 42.059 -0.533 0.000 0.901 434 L HN 0.246 nan 8.230 nan 0.000 0.433 435 N N -1.005 117.644 118.700 -0.084 0.000 2.416 435 N HA -0.064 4.676 4.740 -0.000 0.000 0.177 435 N C -0.213 174.983 175.510 -0.524 0.000 1.036 435 N CA 0.901 53.792 53.050 -0.266 0.000 0.901 435 N CB 0.341 38.627 38.487 -0.335 0.000 0.976 435 N HN 0.329 nan 8.380 nan 0.000 0.444 436 Y N -0.168 120.147 120.300 0.024 0.000 2.490 436 Y HA 0.316 4.866 4.550 -0.000 0.000 0.346 436 Y C -1.822 174.074 175.900 -0.008 0.000 1.023 436 Y CA -1.642 56.466 58.100 0.014 0.000 1.142 436 Y CB 1.323 39.794 38.460 0.018 0.000 1.126 436 Y HN -0.046 nan 8.280 nan 0.000 0.647 437 P HA -0.149 nan 4.420 nan 0.000 0.221 437 P C 0.802 178.122 177.300 0.033 0.000 1.145 437 P CA 1.382 64.503 63.100 0.035 0.000 0.795 437 P CB 0.617 32.320 31.700 0.005 0.000 0.775 438 E N -1.122 119.110 120.200 0.054 0.000 2.479 438 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 438 E C 0.724 177.341 176.600 0.029 0.000 1.049 438 E CA 0.129 56.550 56.400 0.034 0.000 0.870 438 E CB -0.024 29.700 29.700 0.040 0.000 0.944 438 E HN 0.225 nan 8.360 nan 0.000 0.492 439 R N 0.537 121.066 120.500 0.048 0.000 2.540 439 R HA 0.284 4.624 4.340 -0.000 0.000 0.287 439 R C -0.010 176.261 176.300 -0.049 0.000 0.980 439 R CA -0.600 55.502 56.100 0.003 0.000 0.966 439 R CB 1.163 31.457 30.300 -0.010 0.000 1.106 439 R HN 0.107 nan 8.270 nan 0.000 0.480 440 Q N 1.739 121.486 119.800 -0.090 0.000 2.311 440 Q HA 0.181 4.521 4.340 -0.000 0.000 0.272 440 Q C -1.123 174.734 176.000 -0.238 0.000 1.012 440 Q CA 0.102 55.794 55.803 -0.185 0.000 0.891 440 Q CB 0.931 29.565 28.738 -0.173 0.000 1.201 440 Q HN 0.275 nan 8.270 nan 0.000 0.391 441 V N 5.533 125.251 119.914 -0.327 0.000 2.531 441 V HA 0.431 4.551 4.120 -0.000 0.000 0.301 441 V C -0.944 174.916 176.094 -0.391 0.000 1.034 441 V CA -0.609 61.538 62.300 -0.254 0.000 0.865 441 V CB 1.248 33.008 31.823 -0.104 0.000 0.995 441 V HN 0.635 nan 8.190 nan 0.000 0.424 442 F N 2.867 122.720 119.950 -0.162 0.000 2.458 442 F HA 0.545 5.072 4.527 -0.000 0.000 0.330 442 F C 0.374 176.204 175.800 0.050 0.000 1.082 442 F CA -0.544 57.434 58.000 -0.038 0.000 0.995 442 F CB 1.676 40.677 39.000 0.002 0.000 1.170 442 F HN 0.513 nan 8.300 nan 0.000 0.478 443 N N 3.477 122.335 118.700 0.264 0.000 2.479 443 N HA 0.398 5.138 4.740 -0.000 0.000 0.261 443 N C -1.852 173.815 175.510 0.260 0.000 0.979 443 N CA -0.335 52.840 53.050 0.209 0.000 0.930 443 N CB 0.603 39.157 38.487 0.112 0.000 1.172 443 N HN 0.575 nan 8.380 nan 0.000 0.499 444 L N 2.493 123.886 121.223 0.284 0.000 2.276 444 L HA 0.832 5.172 4.340 -0.000 0.000 0.286 444 L C -0.247 176.753 176.870 0.216 0.000 1.024 444 L CA -0.875 54.165 54.840 0.333 0.000 0.826 444 L CB 1.158 43.404 42.059 0.312 0.000 1.211 444 L HN 0.634 nan 8.230 nan 0.000 0.422 445 A N 2.314 125.288 122.820 0.256 0.000 2.486 445 A HA 0.791 5.111 4.320 -0.000 0.000 0.300 445 A C -0.059 177.628 177.584 0.171 0.000 1.048 445 A CA -0.353 51.758 52.037 0.124 0.000 0.696 445 A CB 1.557 20.579 19.000 0.036 0.000 1.278 445 A HN 0.687 nan 8.150 nan 0.000 0.405 446 G N 0.301 109.151 108.800 0.083 0.000 2.606 446 G HA2 0.373 4.333 3.960 -0.000 0.000 0.252 446 G HA3 0.373 4.333 3.960 -0.000 0.000 0.252 446 G C 0.444 175.387 174.900 0.072 0.000 1.206 446 G CA 0.428 45.598 45.100 0.116 0.000 0.861 446 G HN 0.843 nan 8.290 nan 0.000 0.561 447 D N -0.092 120.378 120.400 0.117 0.000 2.144 447 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 447 D C 2.225 178.661 176.300 0.226 0.000 0.978 447 D CA 1.361 55.446 54.000 0.143 0.000 0.833 447 D CB -0.972 40.004 40.800 0.293 0.000 0.961 447 D HN 0.473 nan 8.370 nan 0.000 0.470 448 G N 0.515 109.484 108.800 0.281 0.000 2.459 448 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 448 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 448 G C 1.730 176.768 174.900 0.231 0.000 1.183 448 G CA 1.114 46.411 45.100 0.328 0.000 0.776 448 G HN 0.500 nan 8.290 nan 0.000 0.552 449 G N 0.835 109.729 108.800 0.158 0.000 2.394 449 G HA2 0.137 4.097 3.960 -0.000 0.000 0.215 449 G HA3 0.137 4.097 3.960 -0.000 0.000 0.215 449 G C 2.068 176.996 174.900 0.047 0.000 1.165 449 G CA 1.388 46.533 45.100 0.075 0.000 0.784 449 G HN 0.645 nan 8.290 nan 0.000 0.535 450 A N 0.889 123.715 122.820 0.011 0.000 1.940 450 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 450 A C 2.665 180.356 177.584 0.178 0.000 1.176 450 A CA 2.288 54.301 52.037 -0.039 0.000 0.631 450 A CB -0.701 18.039 19.000 -0.434 0.000 0.814 450 A HN 0.299 nan 8.150 nan 0.000 0.446 451 S N -0.603 115.278 115.700 0.302 0.000 2.370 451 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 451 S C 1.987 176.652 174.600 0.108 0.000 1.033 451 S CA 1.852 60.222 58.200 0.283 0.000 1.011 451 S CB -0.402 62.894 63.200 0.161 0.000 0.852 451 S HN 0.608 nan 8.310 nan 0.000 0.457 452 M N 0.669 120.303 119.600 0.058 0.000 2.213 452 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 452 M C 1.560 177.816 176.300 -0.073 0.000 1.062 452 M CA 1.438 56.727 55.300 -0.019 0.000 1.105 452 M CB -0.488 32.092 32.600 -0.032 0.000 1.385 452 M HN 0.420 nan 8.290 nan 0.000 0.417 453 T N -3.459 111.076 114.554 -0.031 0.000 3.200 453 T HA 0.280 4.630 4.350 -0.000 0.000 0.284 453 T C 1.149 175.856 174.700 0.012 0.000 1.009 453 T CA -0.389 61.676 62.100 -0.058 0.000 0.907 453 T CB -0.373 68.453 68.868 -0.070 0.000 1.120 453 T HN 0.413 nan 8.240 nan 0.000 0.534 454 M N 1.178 120.820 119.600 0.070 0.000 2.149 454 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 454 M C 2.345 178.686 176.300 0.068 0.000 1.064 454 M CA 1.709 57.091 55.300 0.136 0.000 1.102 454 M CB -0.812 31.912 32.600 0.208 0.000 1.369 454 M HN 0.209 nan 8.290 nan 0.000 0.408 455 Q N 0.990 120.810 119.800 0.034 0.000 2.234 455 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 455 Q C 0.693 176.710 176.000 0.027 0.000 0.980 455 Q CA 2.002 57.819 55.803 0.024 0.000 0.869 455 Q CB -1.109 27.651 28.738 0.036 0.000 0.912 455 Q HN 0.665 nan 8.270 nan 0.000 0.436 456 D N 0.490 120.908 120.400 0.029 0.000 2.328 456 D HA 0.123 4.763 4.640 -0.000 0.000 0.226 456 D C 1.730 178.048 176.300 0.030 0.000 1.066 456 D CA -0.045 53.974 54.000 0.031 0.000 0.861 456 D CB 0.228 41.040 40.800 0.019 0.000 0.912 456 D HN 0.283 nan 8.370 nan 0.000 0.521 457 L N 0.822 122.065 121.223 0.032 0.000 2.127 457 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 457 L C 2.590 179.463 176.870 0.005 0.000 1.089 457 L CA 0.867 55.722 54.840 0.026 0.000 0.757 457 L CB -0.308 41.776 42.059 0.041 0.000 0.899 457 L HN 0.004 nan 8.230 nan 0.000 0.434 458 A N -0.552 122.267 122.820 -0.002 0.000 2.019 458 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 458 A C 2.325 179.903 177.584 -0.010 0.000 1.164 458 A CA 2.099 54.124 52.037 -0.020 0.000 0.644 458 A CB -0.686 18.303 19.000 -0.020 0.000 0.805 458 A HN 0.399 nan 8.150 nan 0.000 0.449 459 T N 0.043 114.620 114.554 0.039 0.000 2.857 459 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 459 T C 1.980 176.764 174.700 0.140 0.000 1.048 459 T CA 1.531 63.704 62.100 0.121 0.000 1.139 459 T CB -0.205 68.751 68.868 0.147 0.000 0.874 459 T HN 0.656 nan 8.240 nan 0.000 0.455 460 Q N 0.471 120.310 119.800 0.065 0.000 2.084 460 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 460 Q C 2.554 178.542 176.000 -0.020 0.000 0.978 460 Q CA 1.089 56.918 55.803 0.044 0.000 0.844 460 Q CB -0.434 28.316 28.738 0.020 0.000 0.898 460 Q HN 0.350 nan 8.270 nan 0.000 0.426 461 V N 0.969 120.841 119.914 -0.071 0.000 2.261 461 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 461 V C 2.334 178.220 176.094 -0.347 0.000 1.047 461 V CA 2.189 64.384 62.300 -0.174 0.000 1.015 461 V CB -0.685 31.073 31.823 -0.108 0.000 0.642 461 V HN 0.394 nan 8.190 nan 0.000 0.446 462 Q N -0.669 118.963 119.800 -0.282 0.000 2.096 462 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 462 Q C 1.694 177.350 176.000 -0.573 0.000 0.982 462 Q CA 2.170 57.701 55.803 -0.452 0.000 0.850 462 Q CB -0.108 28.326 28.738 -0.505 0.000 0.901 462 Q HN 0.770 nan 8.270 nan 0.000 0.422 463 Y N -0.901 119.350 120.300 -0.082 0.000 2.524 463 Y HA 0.185 4.735 4.550 -0.000 0.000 0.266 463 Y C -0.583 175.369 175.900 0.086 0.000 1.180 463 Y CA 0.066 58.177 58.100 0.017 0.000 1.244 463 Y CB 0.050 38.501 38.460 -0.014 0.000 1.125 463 Y HN 0.216 nan 8.280 nan 0.000 0.524 464 H N -0.569 118.535 119.070 0.056 0.000 2.677 464 H HA -0.163 4.393 4.556 -0.000 0.000 0.321 464 H C -0.876 174.481 175.328 0.049 0.000 1.171 464 H CA 0.275 56.348 56.048 0.041 0.000 1.139 464 H CB -1.899 27.880 29.762 0.029 0.000 1.515 464 H HN 0.287 nan 8.280 nan 0.000 0.423 465 L N 1.424 122.704 121.223 0.096 0.000 2.272 465 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 465 L C -1.816 175.070 176.870 0.027 0.000 1.045 465 L CA -1.909 52.969 54.840 0.063 0.000 0.842 465 L CB 1.022 43.115 42.059 0.057 0.000 1.224 465 L HN -0.012 nan 8.230 nan 0.000 0.430 466 P HA 0.043 nan 4.420 nan 0.000 0.231 466 P C -0.129 177.127 177.300 -0.072 0.000 1.756 466 P CA 0.032 63.119 63.100 -0.021 0.000 0.990 466 P CB -0.056 31.625 31.700 -0.032 0.000 1.973 467 V N 2.481 122.359 119.914 -0.059 0.000 2.686 467 V HA 0.098 4.218 4.120 -0.000 0.000 0.295 467 V C 0.983 177.009 176.094 -0.113 0.000 1.055 467 V CA -0.160 62.086 62.300 -0.089 0.000 1.050 467 V CB 0.802 32.604 31.823 -0.034 0.000 0.984 467 V HN 0.252 nan 8.190 nan 0.000 0.482 468 I N 5.260 125.708 120.570 -0.204 0.000 2.287 468 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 468 I C 0.198 176.321 176.117 0.010 0.000 1.069 468 I CA -0.096 61.109 61.300 -0.158 0.000 1.237 468 I CB 0.070 37.852 38.000 -0.363 0.000 1.418 468 I HN 0.617 nan 8.210 nan 0.000 0.481 469 N N 6.495 125.207 118.700 0.020 0.000 2.434 469 N HA 0.339 5.079 4.740 -0.000 0.000 0.272 469 N C -0.754 174.783 175.510 0.045 0.000 1.040 469 N CA -0.264 52.816 53.050 0.051 0.000 0.956 469 N CB 2.670 41.166 38.487 0.016 0.000 1.108 469 N HN 0.196 nan 8.380 nan 0.000 0.481 470 V N 2.564 122.534 119.914 0.093 0.000 2.443 470 V HA 0.267 4.387 4.120 -0.000 0.000 0.293 470 V C 0.084 176.154 176.094 -0.040 0.000 1.021 470 V CA -0.850 61.452 62.300 0.004 0.000 0.848 470 V CB 1.770 33.650 31.823 0.096 0.000 0.998 470 V HN 0.288 nan 8.190 nan 0.000 0.424 471 V N 5.226 125.032 119.914 -0.179 0.000 2.394 471 V HA 0.457 4.577 4.120 -0.000 0.000 0.282 471 V C -0.488 175.480 176.094 -0.210 0.000 1.031 471 V CA -0.346 61.843 62.300 -0.185 0.000 0.881 471 V CB 1.301 32.861 31.823 -0.438 0.000 0.982 471 V HN 0.683 nan 8.190 nan 0.000 0.451 472 F N 2.364 122.277 119.950 -0.062 0.000 2.351 472 F HA 0.319 4.846 4.527 0.000 0.000 0.362 472 F C 1.075 176.864 175.800 -0.018 0.000 1.131 472 F CA -0.337 57.645 58.000 -0.029 0.000 1.187 472 F CB 0.755 39.738 39.000 -0.029 0.000 1.434 472 F HN 0.340 nan 8.300 nan 0.000 0.553 473 T N 3.078 117.684 114.554 0.087 0.000 2.875 473 T HA 0.073 4.423 4.350 -0.000 0.000 0.307 473 T C 1.031 175.761 174.700 0.050 0.000 1.013 473 T CA -0.435 61.722 62.100 0.095 0.000 0.970 473 T CB -0.177 68.759 68.868 0.113 0.000 0.986 473 T HN 0.497 nan 8.240 nan 0.000 0.536 474 N N 0.357 119.071 118.700 0.024 0.000 2.236 474 N HA 0.025 4.765 4.740 -0.000 0.000 0.196 474 N C 0.556 175.961 175.510 -0.175 0.000 1.114 474 N CA -0.476 52.538 53.050 -0.060 0.000 0.859 474 N CB -0.648 37.803 38.487 -0.059 0.000 0.982 474 N HN 0.543 nan 8.380 nan 0.000 0.493 475 C N 0.493 119.685 119.300 -0.181 0.000 4.268 475 C HA -0.170 4.290 4.460 -0.000 0.000 0.299 475 C C -0.257 174.037 174.990 -1.161 0.000 1.429 475 C CA 0.487 59.236 59.018 -0.448 0.000 2.018 475 C CB -2.990 24.608 27.740 -0.237 0.000 1.277 475 C HN 0.609 nan 8.230 nan 0.000 0.767 476 Q N -2.550 116.632 119.800 -1.030 0.000 2.456 476 Q HA 0.507 4.847 4.340 -0.000 0.000 0.284 476 Q C -1.004 174.706 176.000 -0.482 0.000 1.061 476 Q CA -0.784 54.433 55.803 -0.977 0.000 0.799 476 Q CB 1.270 29.747 28.738 -0.435 0.000 1.445 476 Q HN 0.316 nan 8.270 nan 0.000 0.411 477 Y N 0.940 121.252 120.300 0.020 0.000 2.632 477 Y HA 0.192 4.742 4.550 -0.000 0.000 0.336 477 Y C 1.333 177.280 175.900 0.079 0.000 1.237 477 Y CA -0.230 57.980 58.100 0.182 0.000 1.595 477 Y CB -0.043 38.565 38.460 0.246 0.000 1.508 477 Y HN 0.950 nan 8.280 nan 0.000 0.480 478 G N 2.042 110.942 108.800 0.168 0.000 2.418 478 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 478 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 478 G C 1.622 176.631 174.900 0.182 0.000 1.158 478 G CA 0.163 45.321 45.100 0.095 0.000 0.771 478 G HN 0.772 nan 8.290 nan 0.000 0.545 479 W N 0.867 122.197 121.300 0.050 0.000 2.321 479 W HA -0.172 4.488 4.660 -0.000 0.000 0.306 479 W C 1.962 178.512 176.519 0.051 0.000 1.217 479 W CA 1.115 58.485 57.345 0.041 0.000 1.257 479 W CB 0.034 29.518 29.460 0.040 0.000 1.145 479 W HN 0.138 nan 8.180 nan 0.000 0.509 480 I N 0.470 121.188 120.570 0.247 0.000 2.480 480 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 480 I C 2.237 178.414 176.117 0.100 0.000 1.124 480 I CA 1.248 62.634 61.300 0.143 0.000 1.444 480 I CB -1.601 36.509 38.000 0.182 0.000 1.098 480 I HN -0.025 nan 8.210 nan 0.000 0.428 481 K N 1.405 121.846 120.400 0.069 0.000 2.044 481 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 481 K C 1.596 178.222 176.600 0.044 0.000 1.049 481 K CA 2.040 58.291 56.287 -0.060 0.000 0.927 481 K CB 0.051 32.374 32.500 -0.296 0.000 0.713 481 K HN 0.206 nan 8.250 nan 0.000 0.443 482 D N 0.523 120.922 120.400 -0.002 0.000 2.144 482 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 482 D C 1.746 178.041 176.300 -0.007 0.000 0.978 482 D CA 1.138 55.138 54.000 -0.000 0.000 0.833 482 D CB -0.094 40.654 40.800 -0.086 0.000 0.961 482 D HN 0.416 nan 8.370 nan 0.000 0.470 483 E N 0.680 120.842 120.200 -0.062 0.000 2.051 483 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 483 E C 2.195 178.818 176.600 0.039 0.000 0.991 483 E CA 0.769 57.138 56.400 -0.053 0.000 0.799 483 E CB -0.069 29.586 29.700 -0.076 0.000 0.748 483 E HN 0.367 nan 8.360 nan 0.000 0.449 484 Q N 0.556 120.430 119.800 0.123 0.000 2.096 484 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 484 Q C 2.212 178.293 176.000 0.135 0.000 0.982 484 Q CA 1.304 57.207 55.803 0.167 0.000 0.850 484 Q CB -0.150 28.776 28.738 0.312 0.000 0.901 484 Q HN 0.334 nan 8.270 nan 0.000 0.422 485 E N 0.785 121.151 120.200 0.276 0.000 2.085 485 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 485 E C 1.071 177.700 176.600 0.047 0.000 0.994 485 E CA 1.461 57.961 56.400 0.166 0.000 0.801 485 E CB 0.151 30.023 29.700 0.286 0.000 0.743 485 E HN 0.298 nan 8.360 nan 0.000 0.453 486 D N -0.898 119.527 120.400 0.042 0.000 2.183 486 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 486 D C 1.904 178.201 176.300 -0.006 0.000 0.969 486 D CA 1.872 55.877 54.000 0.008 0.000 0.842 486 D CB 0.044 40.834 40.800 -0.016 0.000 0.957 486 D HN 0.397 nan 8.370 nan 0.000 0.484 487 T N -3.276 111.274 114.554 -0.005 0.000 2.987 487 T HA 0.111 4.461 4.350 -0.000 0.000 0.248 487 T C 0.755 175.444 174.700 -0.019 0.000 0.997 487 T CA -0.443 61.650 62.100 -0.011 0.000 1.013 487 T CB 0.155 69.020 68.868 -0.005 0.000 1.077 487 T HN -0.212 nan 8.240 nan 0.000 0.483 488 N N 2.144 120.829 118.700 -0.026 0.000 2.525 488 N HA 0.338 5.078 4.740 -0.000 0.000 0.271 488 N C 0.931 176.398 175.510 -0.071 0.000 1.194 488 N CA -0.376 52.649 53.050 -0.041 0.000 0.964 488 N CB 1.022 39.488 38.487 -0.035 0.000 1.126 488 N HN 0.167 nan 8.380 nan 0.000 0.452 489 Q N 0.391 120.156 119.800 -0.059 0.000 2.204 489 Q HA 0.161 4.501 4.340 -0.000 0.000 0.198 489 Q C -0.125 175.824 176.000 -0.085 0.000 0.946 489 Q CA 0.962 56.726 55.803 -0.065 0.000 0.859 489 Q CB 0.040 28.753 28.738 -0.042 0.000 0.946 489 Q HN 0.546 nan 8.270 nan 0.000 0.474 490 N N 1.358 120.011 118.700 -0.078 0.000 2.448 490 N HA 0.091 4.831 4.740 -0.000 0.000 0.274 490 N C -0.341 175.089 175.510 -0.134 0.000 1.239 490 N CA -0.386 52.615 53.050 -0.081 0.000 0.982 490 N CB 0.416 38.878 38.487 -0.042 0.000 1.199 490 N HN -0.046 nan 8.380 nan 0.000 0.576 491 D N 0.235 120.567 120.400 -0.114 0.000 2.419 491 D HA 0.041 4.681 4.640 -0.000 0.000 0.236 491 D C 0.192 176.440 176.300 -0.086 0.000 1.165 491 D CA 0.345 54.254 54.000 -0.150 0.000 0.882 491 D CB 0.134 40.909 40.800 -0.041 0.000 1.201 491 D HN 0.176 nan 8.370 nan 0.000 0.443 492 F N 0.831 120.791 119.950 0.017 0.000 2.637 492 F HA 0.010 4.537 4.527 -0.000 0.000 0.372 492 F C 1.019 176.842 175.800 0.037 0.000 1.107 492 F CA 0.495 58.511 58.000 0.026 0.000 1.325 492 F CB -0.151 38.861 39.000 0.020 0.000 1.016 492 F HN 0.123 nan 8.300 nan 0.000 0.593 493 I N 1.523 122.256 120.570 0.272 0.000 2.610 493 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 493 I C 0.310 176.541 176.117 0.190 0.000 1.163 493 I CA -0.072 61.338 61.300 0.183 0.000 1.044 493 I CB 1.633 39.708 38.000 0.124 0.000 1.251 493 I HN 0.689 nan 8.210 nan 0.000 0.424 494 G N 4.352 113.267 108.800 0.191 0.000 2.159 494 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 494 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 494 G C 0.390 175.508 174.900 0.363 0.000 0.977 494 G CA 0.573 45.822 45.100 0.248 0.000 0.652 494 G HN 1.329 nan 8.290 nan 0.000 0.531 495 V N -3.397 116.664 119.914 0.246 0.000 3.556 495 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 495 V C 0.384 176.411 176.094 -0.111 0.000 1.422 495 V CA 0.712 63.133 62.300 0.200 0.000 1.038 495 V CB 0.361 32.247 31.823 0.104 0.000 0.850 495 V HN 0.356 nan 8.190 nan 0.000 0.437 496 E N 1.404 121.525 120.200 -0.132 0.000 2.234 496 E HA 0.697 5.047 4.350 -0.000 0.000 0.266 496 E C -1.333 175.160 176.600 -0.178 0.000 0.877 496 E CA -0.597 55.597 56.400 -0.344 0.000 0.758 496 E CB 2.447 32.012 29.700 -0.226 0.000 1.170 496 E HN 0.468 nan 8.360 nan 0.000 0.415 497 F N -0.783 119.102 119.950 -0.109 0.000 2.754 497 F HA 0.487 5.014 4.527 -0.000 0.000 0.320 497 F C -0.494 175.264 175.800 -0.069 0.000 1.156 497 F CA -1.669 56.278 58.000 -0.087 0.000 0.950 497 F CB 0.360 39.282 39.000 -0.132 0.000 1.388 497 F HN 0.120 nan 8.300 nan 0.000 0.485 498 N N 0.702 119.580 118.700 0.296 0.000 2.479 498 N HA 0.124 4.864 4.740 -0.000 0.000 0.257 498 N C -1.121 174.518 175.510 0.215 0.000 1.232 498 N CA 0.158 53.309 53.050 0.169 0.000 0.920 498 N CB 0.257 38.800 38.487 0.093 0.000 1.105 498 N HN 0.817 nan 8.380 nan 0.000 0.444 499 D N 1.051 121.519 120.400 0.113 0.000 2.455 499 D HA 0.115 4.755 4.640 -0.000 0.000 0.241 499 D C -0.643 175.693 176.300 0.059 0.000 1.138 499 D CA 0.279 54.338 54.000 0.098 0.000 0.877 499 D CB 0.401 41.230 40.800 0.049 0.000 1.187 499 D HN 0.295 nan 8.370 nan 0.000 0.451 500 I N 2.801 123.409 120.570 0.062 0.000 2.406 500 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 500 I C -0.373 175.715 176.117 -0.049 0.000 0.999 500 I CA -0.900 60.353 61.300 -0.078 0.000 1.124 500 I CB 1.803 39.656 38.000 -0.245 0.000 1.289 500 I HN 0.390 nan 8.210 nan 0.000 0.441 501 D N 5.926 126.270 120.400 -0.093 0.000 2.402 501 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 501 D C 0.641 176.889 176.300 -0.086 0.000 1.226 501 D CA 0.060 54.042 54.000 -0.030 0.000 0.918 501 D CB 0.471 41.252 40.800 -0.030 0.000 1.043 501 D HN 0.314 nan 8.370 nan 0.000 0.506 502 F N 1.432 121.377 119.950 -0.008 0.000 2.451 502 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 502 F C 2.675 178.456 175.800 -0.031 0.000 1.101 502 F CA 0.779 58.770 58.000 -0.015 0.000 1.436 502 F CB 0.069 39.067 39.000 -0.003 0.000 1.074 502 F HN 0.382 nan 8.300 nan 0.000 0.553 503 S N -0.182 115.584 115.700 0.109 0.000 2.402 503 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 503 S C 1.877 176.459 174.600 -0.029 0.000 1.021 503 S CA 0.878 59.092 58.200 0.023 0.000 0.974 503 S CB -0.346 62.855 63.200 0.001 0.000 0.800 503 S HN 0.384 nan 8.310 nan 0.000 0.484 504 K N 0.469 120.843 120.400 -0.043 0.000 2.116 504 K HA 0.152 4.472 4.320 -0.000 0.000 0.203 504 K C 1.973 178.514 176.600 -0.099 0.000 1.052 504 K CA 0.872 57.115 56.287 -0.073 0.000 0.952 504 K CB -0.249 32.206 32.500 -0.075 0.000 0.729 504 K HN 0.295 nan 8.250 nan 0.000 0.446 505 I N 1.709 122.202 120.570 -0.130 0.000 2.127 505 I HA -0.268 3.901 4.170 -0.000 0.000 0.241 505 I C 2.535 178.603 176.117 -0.082 0.000 1.075 505 I CA 1.491 62.703 61.300 -0.146 0.000 1.334 505 I CB -1.466 36.379 38.000 -0.259 0.000 1.040 505 I HN 0.102 nan 8.210 nan 0.000 0.405 506 A N 0.570 123.376 122.820 -0.023 0.000 1.883 506 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 506 A C 2.156 179.689 177.584 -0.085 0.000 1.186 506 A CA 2.264 54.283 52.037 -0.029 0.000 0.624 506 A CB -0.925 18.075 19.000 -0.001 0.000 0.822 506 A HN 0.442 nan 8.150 nan 0.000 0.444 507 D N -0.404 119.944 120.400 -0.086 0.000 2.133 507 D HA -0.127 4.513 4.640 -0.000 0.000 0.192 507 D C 1.999 178.204 176.300 -0.157 0.000 1.001 507 D CA 1.917 55.864 54.000 -0.088 0.000 0.844 507 D CB -0.700 40.059 40.800 -0.070 0.000 0.944 507 D HN 0.324 nan 8.370 nan 0.000 0.447 508 G N -0.019 108.672 108.800 -0.181 0.000 2.450 508 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 508 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 508 G C 1.614 176.220 174.900 -0.489 0.000 1.130 508 G CA 1.505 46.447 45.100 -0.264 0.000 0.760 508 G HN 0.448 nan 8.290 nan 0.000 0.557 509 V N -3.478 116.209 119.914 -0.380 0.000 3.649 509 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 509 V C 0.883 176.751 176.094 -0.377 0.000 1.281 509 V CA 0.434 62.516 62.300 -0.364 0.000 1.143 509 V CB -1.029 30.706 31.823 -0.145 0.000 0.892 509 V HN 0.550 nan 8.190 nan 0.000 0.441 510 H N -1.408 117.633 119.070 -0.048 0.000 2.933 510 H HA -0.133 4.423 4.556 -0.000 0.000 0.301 510 H C -0.069 175.223 175.328 -0.059 0.000 1.280 510 H CA 1.152 57.167 56.048 -0.055 0.000 1.155 510 H CB -1.756 27.973 29.762 -0.056 0.000 1.379 510 H HN 0.674 nan 8.280 nan 0.000 0.419 511 M N 1.003 120.595 119.600 -0.013 0.000 2.294 511 M HA 0.255 4.735 4.480 -0.000 0.000 0.335 511 M C 0.207 176.476 176.300 -0.052 0.000 1.079 511 M CA -0.482 54.804 55.300 -0.024 0.000 0.982 511 M CB 1.330 33.913 32.600 -0.028 0.000 1.651 511 M HN 0.152 nan 8.290 nan 0.000 0.437 512 Q N 2.355 122.117 119.800 -0.062 0.000 2.361 512 Q HA 0.462 4.802 4.340 -0.000 0.000 0.276 512 Q C -0.865 175.016 176.000 -0.198 0.000 1.022 512 Q CA 0.241 55.958 55.803 -0.144 0.000 0.898 512 Q CB 0.859 29.532 28.738 -0.108 0.000 1.246 512 Q HN 0.744 nan 8.270 nan 0.000 0.410 513 A N 2.348 124.921 122.820 -0.411 0.000 2.601 513 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 513 A C -1.816 175.350 177.584 -0.695 0.000 1.075 513 A CA -0.691 51.139 52.037 -0.345 0.000 0.671 513 A CB 1.144 20.064 19.000 -0.133 0.000 1.277 513 A HN 0.559 nan 8.150 nan 0.000 0.417 514 F N -0.298 119.622 119.950 -0.050 0.000 2.599 514 F HA 0.806 5.333 4.527 -0.000 0.000 0.311 514 F C 0.115 175.892 175.800 -0.038 0.000 1.076 514 F CA -0.525 57.446 58.000 -0.047 0.000 0.937 514 F CB 2.440 41.395 39.000 -0.076 0.000 1.282 514 F HN 0.667 nan 8.300 nan 0.000 0.460 515 R N 1.657 122.250 120.500 0.156 0.000 2.534 515 R HA 0.861 5.200 4.340 -0.000 0.000 0.301 515 R C -1.923 174.429 176.300 0.087 0.000 0.961 515 R CA -0.681 55.476 56.100 0.094 0.000 0.871 515 R CB 1.716 32.053 30.300 0.061 0.000 1.170 515 R HN 0.611 nan 8.270 nan 0.000 0.446 516 V N 2.254 122.201 119.914 0.056 0.000 2.876 516 V HA 0.617 4.737 4.120 -0.000 0.000 0.312 516 V C -0.638 175.468 176.094 0.019 0.000 1.085 516 V CA -0.771 61.554 62.300 0.042 0.000 0.945 516 V CB 2.233 34.084 31.823 0.047 0.000 1.017 516 V HN 1.011 nan 8.190 nan 0.000 0.428 517 N N 0.382 119.090 118.700 0.013 0.000 2.116 517 N HA 0.233 4.973 4.740 -0.000 0.000 0.230 517 N C -0.362 175.145 175.510 -0.006 0.000 1.326 517 N CA -0.493 52.557 53.050 -0.000 0.000 0.867 517 N CB 0.575 39.063 38.487 0.002 0.000 1.174 517 N HN 0.794 nan 8.380 nan 0.000 0.506 518 K N 0.331 120.730 120.400 -0.003 0.000 2.371 518 K HA 0.482 4.802 4.320 -0.000 0.000 0.251 518 K C 0.750 177.342 176.600 -0.013 0.000 0.934 518 K CA -0.756 55.526 56.287 -0.008 0.000 0.798 518 K CB 2.582 35.080 32.500 -0.004 0.000 1.204 518 K HN -0.205 nan 8.250 nan 0.000 0.427 519 I N 1.992 122.549 120.570 -0.023 0.000 2.151 519 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 519 I C 2.330 178.429 176.117 -0.029 0.000 1.080 519 I CA 1.505 62.785 61.300 -0.034 0.000 1.339 519 I CB -0.195 37.783 38.000 -0.037 0.000 1.039 519 I HN 0.746 nan 8.210 nan 0.000 0.409 520 E N 1.420 121.608 120.200 -0.020 0.000 2.333 520 E HA -0.279 4.071 4.350 -0.000 0.000 0.198 520 E C 1.650 178.245 176.600 -0.008 0.000 1.007 520 E CA 1.197 57.587 56.400 -0.016 0.000 0.845 520 E CB -0.510 29.183 29.700 -0.011 0.000 0.766 520 E HN 0.658 nan 8.360 nan 0.000 0.507 521 Q N 0.284 120.083 119.800 -0.000 0.000 2.435 521 Q HA 0.121 4.461 4.340 -0.000 0.000 0.207 521 Q C 2.322 178.337 176.000 0.024 0.000 0.956 521 Q CA 0.328 56.137 55.803 0.011 0.000 0.917 521 Q CB 0.019 28.768 28.738 0.019 0.000 0.997 521 Q HN 0.317 nan 8.270 nan 0.000 0.497 522 L N 0.483 121.722 121.223 0.027 0.000 2.027 522 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 522 L C -0.687 176.244 176.870 0.101 0.000 1.074 522 L CA 1.048 55.939 54.840 0.085 0.000 0.745 522 L CB -1.481 40.544 42.059 -0.058 0.000 0.898 522 L HN 0.123 nan 8.230 nan 0.000 0.433 523 P HA -0.194 nan 4.420 nan 0.000 0.215 523 P C 1.001 178.322 177.300 0.035 0.000 1.157 523 P CA 1.614 64.724 63.100 0.017 0.000 0.868 523 P CB 0.051 31.744 31.700 -0.011 0.000 0.788 524 D N -1.263 119.138 120.400 0.002 0.000 2.149 524 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 524 D C 1.798 178.025 176.300 -0.123 0.000 0.972 524 D CA 0.582 54.561 54.000 -0.035 0.000 0.835 524 D CB -0.447 40.336 40.800 -0.029 0.000 0.966 524 D HN -0.186 nan 8.370 nan 0.000 0.476 525 V N -0.060 119.756 119.914 -0.162 0.000 2.343 525 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 525 V C 1.946 177.754 176.094 -0.476 0.000 1.051 525 V CA 1.363 63.381 62.300 -0.471 0.000 1.036 525 V CB -0.582 31.024 31.823 -0.362 0.000 0.654 525 V HN 0.234 nan 8.190 nan 0.000 0.451 526 F N -0.001 119.805 119.950 -0.239 0.000 2.206 526 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 526 F C 2.497 178.236 175.800 -0.102 0.000 1.090 526 F CA 1.194 59.113 58.000 -0.136 0.000 1.323 526 F CB -0.328 38.636 39.000 -0.059 0.000 1.028 526 F HN 0.125 nan 8.300 nan 0.000 0.492 527 E N 0.267 120.494 120.200 0.046 0.000 2.058 527 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 527 E C 2.172 178.747 176.600 -0.041 0.000 0.997 527 E CA 1.190 57.596 56.400 0.011 0.000 0.801 527 E CB -0.578 29.126 29.700 0.006 0.000 0.746 527 E HN 0.535 nan 8.360 nan 0.000 0.450 528 Q N 0.066 119.791 119.800 -0.125 0.000 2.050 528 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 528 Q C 2.201 178.163 176.000 -0.063 0.000 0.980 528 Q CA 1.464 57.207 55.803 -0.100 0.000 0.840 528 Q CB -0.207 28.419 28.738 -0.188 0.000 0.898 528 Q HN 0.242 nan 8.270 nan 0.000 0.424 529 A N 1.631 124.339 122.820 -0.186 0.000 1.908 529 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 529 A C 2.021 179.574 177.584 -0.051 0.000 1.181 529 A CA 1.785 53.765 52.037 -0.095 0.000 0.627 529 A CB -0.550 18.295 19.000 -0.259 0.000 0.818 529 A HN 0.251 nan 8.150 nan 0.000 0.445 530 K N -0.395 119.983 120.400 -0.036 0.000 2.074 530 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 530 K C 2.140 178.723 176.600 -0.028 0.000 1.048 530 K CA 1.453 57.733 56.287 -0.012 0.000 0.926 530 K CB -0.330 32.194 32.500 0.041 0.000 0.713 530 K HN 0.400 nan 8.250 nan 0.000 0.444 531 A N 1.201 124.016 122.820 -0.008 0.000 1.872 531 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 531 A C 2.091 179.685 177.584 0.016 0.000 1.187 531 A CA 1.273 53.313 52.037 0.005 0.000 0.614 531 A CB -0.528 18.489 19.000 0.028 0.000 0.826 531 A HN 0.326 nan 8.150 nan 0.000 0.442 532 I N 0.215 120.811 120.570 0.043 0.000 2.194 532 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 532 I C 2.600 178.730 176.117 0.022 0.000 1.093 532 I CA 1.325 62.664 61.300 0.066 0.000 1.355 532 I CB -0.209 37.849 38.000 0.098 0.000 1.046 532 I HN 0.332 nan 8.210 nan 0.000 0.413 533 A N -0.217 122.584 122.820 -0.032 0.000 2.255 533 A HA -0.085 4.235 4.320 -0.000 0.000 0.206 533 A C 1.943 179.447 177.584 -0.133 0.000 1.193 533 A CA 0.557 52.546 52.037 -0.080 0.000 0.794 533 A CB -0.293 18.629 19.000 -0.130 0.000 0.794 533 A HN 0.379 nan 8.150 nan 0.000 0.481 534 Q N -0.787 118.904 119.800 -0.183 0.000 2.369 534 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 534 Q C 0.605 176.231 176.000 -0.623 0.000 0.963 534 Q CA 1.594 57.156 55.803 -0.402 0.000 0.894 534 Q CB -0.173 28.265 28.738 -0.501 0.000 0.965 534 Q HN 0.968 nan 8.270 nan 0.000 0.475 535 H N -1.818 117.255 119.070 0.005 0.000 3.734 535 H HA 0.262 4.818 4.556 -0.000 0.000 0.253 535 H C -0.129 175.225 175.328 0.042 0.000 1.072 535 H CA -0.117 55.942 56.048 0.018 0.000 1.147 535 H CB 1.224 30.997 29.762 0.017 0.000 1.495 535 H HN -0.101 nan 8.280 nan 0.000 0.588 536 E N 0.631 120.904 120.200 0.122 0.000 2.413 536 E HA 0.252 4.602 4.350 -0.000 0.000 0.277 536 E C -2.825 173.798 176.600 0.037 0.000 0.958 536 E CA -2.233 54.226 56.400 0.099 0.000 0.779 536 E CB 2.305 32.070 29.700 0.108 0.000 1.278 536 E HN -0.078 nan 8.360 nan 0.000 0.456 537 P HA 0.162 nan 4.420 nan 0.000 0.272 537 P C -0.461 176.839 177.300 0.001 0.000 1.230 537 P CA -0.226 62.872 63.100 -0.004 0.000 0.788 537 P CB 1.001 32.696 31.700 -0.007 0.000 0.949 538 V N 3.028 122.940 119.914 -0.004 0.000 3.049 538 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 538 V C -1.323 174.779 176.094 0.013 0.000 1.148 538 V CA -1.114 61.197 62.300 0.018 0.000 0.990 538 V CB 2.271 34.130 31.823 0.060 0.000 1.039 538 V HN 0.444 nan 8.190 nan 0.000 0.430 539 L N 5.685 126.926 121.223 0.029 0.000 2.386 539 L HA 0.709 5.049 4.340 -0.000 0.000 0.271 539 L C -1.187 175.714 176.870 0.053 0.000 0.993 539 L CA -0.396 54.459 54.840 0.025 0.000 0.819 539 L CB 1.767 43.847 42.059 0.035 0.000 1.294 539 L HN 0.666 nan 8.230 nan 0.000 0.414 540 I N 3.824 124.382 120.570 -0.019 0.000 2.355 540 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 540 I C -0.954 175.129 176.117 -0.056 0.000 0.999 540 I CA -0.477 60.794 61.300 -0.049 0.000 1.163 540 I CB 1.599 39.427 38.000 -0.287 0.000 1.316 540 I HN 0.508 nan 8.210 nan 0.000 0.454 541 D N 6.541 126.945 120.400 0.006 0.000 2.396 541 D HA 0.396 5.036 4.640 -0.000 0.000 0.225 541 D C -0.283 176.001 176.300 -0.027 0.000 1.121 541 D CA -0.176 53.828 54.000 0.006 0.000 0.853 541 D CB 1.311 42.178 40.800 0.112 0.000 1.043 541 D HN 0.568 nan 8.370 nan 0.000 0.500 542 A N 4.267 127.015 122.820 -0.121 0.000 2.294 542 A HA 0.408 4.728 4.320 -0.000 0.000 0.316 542 A C -0.077 177.462 177.584 -0.075 0.000 1.359 542 A CA -0.696 51.264 52.037 -0.129 0.000 0.956 542 A CB 0.445 19.280 19.000 -0.275 0.000 1.155 542 A HN 0.409 nan 8.150 nan 0.000 0.544 543 V N 5.508 125.408 119.914 -0.024 0.000 2.397 543 V HA 0.199 4.319 4.120 -0.000 0.000 0.262 543 V C 0.453 176.534 176.094 -0.021 0.000 1.047 543 V CA 0.390 62.687 62.300 -0.006 0.000 1.003 543 V CB -0.775 31.052 31.823 0.006 0.000 1.037 543 V HN 0.729 nan 8.190 nan 0.000 0.480 544 I N 2.181 122.741 120.570 -0.017 0.000 2.863 544 I HA 0.785 4.955 4.170 -0.000 0.000 0.311 544 I C 0.689 176.782 176.117 -0.041 0.000 1.026 544 I CA -0.667 60.615 61.300 -0.030 0.000 1.077 544 I CB 2.072 40.070 38.000 -0.003 0.000 1.262 544 I HN 0.543 nan 8.210 nan 0.000 0.461 545 T N -0.126 114.392 114.554 -0.059 0.000 2.766 545 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 545 T C 0.973 175.635 174.700 -0.064 0.000 1.024 545 T CA -0.124 61.941 62.100 -0.058 0.000 1.018 545 T CB 0.950 69.785 68.868 -0.055 0.000 1.002 545 T HN 0.937 nan 8.240 nan 0.000 0.532 546 G N 0.100 108.861 108.800 -0.065 0.000 3.314 546 G HA2 0.161 4.121 3.960 -0.000 0.000 0.238 546 G HA3 0.161 4.121 3.960 -0.000 0.000 0.238 546 G C -0.013 174.857 174.900 -0.048 0.000 1.184 546 G CA -0.497 44.558 45.100 -0.074 0.000 0.806 546 G HN 0.765 nan 8.290 nan 0.000 0.536 547 D N 0.715 121.096 120.400 -0.032 0.000 2.493 547 D HA 0.023 4.663 4.640 -0.000 0.000 0.240 547 D C 0.604 176.940 176.300 0.060 0.000 1.142 547 D CA 0.324 54.332 54.000 0.013 0.000 0.872 547 D CB 1.283 42.109 40.800 0.043 0.000 1.173 547 D HN 0.170 nan 8.370 nan 0.000 0.467 548 R N 3.158 123.726 120.500 0.114 0.000 2.389 548 R HA 0.194 4.534 4.340 -0.000 0.000 0.295 548 R C -2.260 174.233 176.300 0.322 0.000 1.075 548 R CA -1.235 54.981 56.100 0.194 0.000 1.005 548 R CB 0.594 31.035 30.300 0.234 0.000 0.987 548 R HN 0.195 nan 8.270 nan 0.000 0.452 549 P HA -0.016 nan 4.420 nan 0.000 0.275 549 P C -0.358 176.967 177.300 0.041 0.000 1.228 549 P CA -0.337 62.932 63.100 0.281 0.000 0.786 549 P CB 0.583 32.443 31.700 0.267 0.000 0.927 550 L N 4.336 125.518 121.223 -0.069 0.000 2.667 550 L HA 0.024 4.364 4.340 -0.000 0.000 0.278 550 L C -1.912 174.763 176.870 -0.325 0.000 1.217 550 L CA -0.914 53.590 54.840 -0.559 0.000 0.935 550 L CB -0.298 41.659 42.059 -0.170 0.000 1.193 550 L HN 0.273 nan 8.230 nan 0.000 0.493 551 P HA 0.123 nan 4.420 nan 0.000 0.280 551 P C -0.001 177.246 177.300 -0.088 0.000 1.386 551 P CA -0.320 62.669 63.100 -0.184 0.000 0.899 551 P CB 1.454 33.066 31.700 -0.146 0.000 1.098 552 A N 4.367 127.132 122.820 -0.092 0.000 2.070 552 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 552 A C 1.746 179.244 177.584 -0.144 0.000 1.159 552 A CA 1.205 53.159 52.037 -0.139 0.000 0.656 552 A CB -0.642 18.235 19.000 -0.206 0.000 0.800 552 A HN 0.550 nan 8.150 nan 0.000 0.453 553 E N -0.584 119.542 120.200 -0.124 0.000 2.489 553 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 553 E C 0.064 176.608 176.600 -0.094 0.000 1.057 553 E CA 0.409 56.737 56.400 -0.120 0.000 0.866 553 E CB 0.074 29.694 29.700 -0.134 0.000 0.916 553 E HN 0.305 nan 8.360 nan 0.000 0.500 554 K N 1.294 121.655 120.400 -0.065 0.000 3.253 554 K HA 0.328 4.648 4.320 -0.000 0.000 0.174 554 K C -0.555 176.022 176.600 -0.038 0.000 1.071 554 K CA -0.320 55.948 56.287 -0.033 0.000 0.836 554 K CB 0.574 33.088 32.500 0.022 0.000 0.922 554 K HN 0.097 nan 8.250 nan 0.000 0.565 555 L N 1.679 122.798 121.223 -0.174 0.000 2.380 555 L HA 0.264 4.604 4.340 -0.000 0.000 0.273 555 L C 0.702 177.170 176.870 -0.670 0.000 1.138 555 L CA -0.117 54.452 54.840 -0.452 0.000 0.832 555 L CB 0.406 42.269 42.059 -0.326 0.000 1.124 555 L HN -0.073 nan 8.230 nan 0.000 0.454 556 R N 5.590 125.266 120.500 -1.374 0.000 2.564 556 R HA 0.349 4.689 4.340 -0.000 0.000 0.282 556 R C -0.159 175.730 176.300 -0.684 0.000 1.573 556 R CA -0.059 55.573 56.100 -0.781 0.000 1.588 556 R CB 0.560 30.607 30.300 -0.422 0.000 1.154 556 R HN 0.705 nan 8.270 nan 0.000 0.606 557 L N -0.926 120.024 121.223 -0.454 0.000 3.128 557 L HA 0.273 4.613 4.340 -0.000 0.000 0.277 557 L C 0.212 176.981 176.870 -0.168 0.000 1.171 557 L CA 0.013 54.696 54.840 -0.261 0.000 1.008 557 L CB 0.790 42.717 42.059 -0.220 0.000 1.442 557 L HN 0.124 nan 8.230 nan 0.000 0.584 558 D N 0.340 120.639 120.400 -0.170 0.000 2.412 558 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 558 D C 1.183 177.423 176.300 -0.100 0.000 1.093 558 D CA 0.132 54.058 54.000 -0.124 0.000 0.850 558 D CB 1.689 42.418 40.800 -0.118 0.000 1.046 558 D HN 0.066 nan 8.370 nan 0.000 0.507 559 S N 2.668 118.318 115.700 -0.082 0.000 2.442 559 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 559 S C 1.870 176.436 174.600 -0.056 0.000 1.007 559 S CA 0.799 58.961 58.200 -0.064 0.000 0.965 559 S CB -0.073 63.094 63.200 -0.054 0.000 0.773 559 S HN 0.422 nan 8.310 nan 0.000 0.504 560 A N 1.036 123.821 122.820 -0.058 0.000 2.121 560 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 560 A C 2.112 179.666 177.584 -0.050 0.000 1.154 560 A CA 1.202 53.210 52.037 -0.049 0.000 0.679 560 A CB -0.499 18.474 19.000 -0.046 0.000 0.795 560 A HN 0.653 nan 8.150 nan 0.000 0.458 561 M N -2.043 117.521 119.600 -0.061 0.000 2.329 561 M HA 0.171 4.651 4.480 -0.000 0.000 0.281 561 M C -0.304 175.956 176.300 -0.066 0.000 1.088 561 M CA 0.260 55.522 55.300 -0.063 0.000 1.108 561 M CB 0.857 33.412 32.600 -0.076 0.000 1.657 561 M HN 0.140 nan 8.290 nan 0.000 0.579 562 S N 0.540 116.197 115.700 -0.072 0.000 2.570 562 S HA 0.481 4.951 4.470 -0.000 0.000 0.286 562 S C -0.157 174.412 174.600 -0.051 0.000 1.099 562 S CA -0.945 57.214 58.200 -0.068 0.000 0.913 562 S CB 2.028 65.169 63.200 -0.099 0.000 1.085 562 S HN 0.374 nan 8.310 nan 0.000 0.480 563 S N 1.343 117.021 115.700 -0.037 0.000 2.584 563 S HA 0.431 4.901 4.470 -0.000 0.000 0.270 563 S C 1.433 176.019 174.600 -0.022 0.000 1.346 563 S CA -0.187 57.998 58.200 -0.026 0.000 1.018 563 S CB 0.553 63.743 63.200 -0.016 0.000 0.899 563 S HN 0.930 nan 8.310 nan 0.000 0.542 564 A N 2.556 125.366 122.820 -0.017 0.000 1.908 564 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 564 A C 2.449 180.033 177.584 0.002 0.000 1.181 564 A CA 2.010 54.041 52.037 -0.010 0.000 0.627 564 A CB -1.726 17.268 19.000 -0.009 0.000 0.818 564 A HN 1.433 nan 8.150 nan 0.000 0.445 565 A N -0.254 122.567 122.820 0.003 0.000 1.902 565 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 565 A C 1.780 179.380 177.584 0.026 0.000 1.181 565 A CA 1.961 54.005 52.037 0.011 0.000 0.623 565 A CB -0.528 18.476 19.000 0.007 0.000 0.818 565 A HN 0.460 nan 8.150 nan 0.000 0.443 566 D N -0.167 120.246 120.400 0.022 0.000 2.149 566 D HA -0.035 4.604 4.640 -0.000 0.000 0.201 566 D C 1.877 178.220 176.300 0.072 0.000 0.972 566 D CA 0.843 54.869 54.000 0.044 0.000 0.835 566 D CB -0.278 40.531 40.800 0.016 0.000 0.966 566 D HN 0.519 nan 8.370 nan 0.000 0.476 567 I N 1.039 121.625 120.570 0.027 0.000 2.142 567 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 567 I C 2.278 178.461 176.117 0.110 0.000 1.078 567 I CA 1.169 62.489 61.300 0.034 0.000 1.343 567 I CB -0.250 37.739 38.000 -0.018 0.000 1.046 567 I HN -0.020 nan 8.210 nan 0.000 0.405 568 E N 0.967 121.209 120.200 0.070 0.000 2.038 568 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 568 E C 2.348 178.995 176.600 0.078 0.000 1.000 568 E CA 1.493 57.931 56.400 0.064 0.000 0.803 568 E CB -0.242 29.478 29.700 0.033 0.000 0.750 568 E HN 0.523 nan 8.360 nan 0.000 0.448 569 A N 0.800 123.667 122.820 0.077 0.000 1.940 569 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 569 A C 1.983 179.612 177.584 0.076 0.000 1.176 569 A CA 1.271 53.341 52.037 0.055 0.000 0.631 569 A CB -0.757 18.273 19.000 0.050 0.000 0.814 569 A HN 0.365 nan 8.150 nan 0.000 0.446 570 F N 0.608 120.572 119.950 0.023 0.000 2.084 570 F HA -0.147 4.380 4.527 0.000 0.000 0.296 570 F C 2.246 178.119 175.800 0.121 0.000 1.111 570 F CA 2.176 60.248 58.000 0.120 0.000 1.224 570 F CB -0.182 38.912 39.000 0.157 0.000 0.991 570 F HN 0.094 nan 8.300 nan 0.000 0.471 571 K N -0.219 120.399 120.400 0.364 0.000 2.059 571 K HA -0.319 4.001 4.320 -0.000 0.000 0.212 571 K C 2.097 178.721 176.600 0.039 0.000 1.050 571 K CA 2.073 58.473 56.287 0.188 0.000 0.927 571 K CB -0.445 32.151 32.500 0.161 0.000 0.714 571 K HN 0.325 nan 8.250 nan 0.000 0.447 572 Q N 1.275 121.076 119.800 0.001 0.000 2.046 572 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 572 Q C 2.028 177.948 176.000 -0.132 0.000 0.975 572 Q CA 1.608 57.385 55.803 -0.043 0.000 0.836 572 Q CB -0.129 28.588 28.738 -0.035 0.000 0.896 572 Q HN 0.184 nan 8.270 nan 0.000 0.428 573 R N -1.372 118.959 120.500 -0.283 0.000 2.081 573 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 573 R C 0.849 176.787 176.300 -0.604 0.000 1.131 573 R CA 1.533 57.311 56.100 -0.536 0.000 0.960 573 R CB -0.084 29.694 30.300 -0.870 0.000 0.856 573 R HN 0.379 nan 8.270 nan 0.000 0.436 574 Y N 0.555 120.749 120.300 -0.176 0.000 2.524 574 Y HA 0.250 4.800 4.550 -0.000 0.000 0.266 574 Y C -0.327 175.592 175.900 0.031 0.000 1.180 574 Y CA -0.280 57.736 58.100 -0.140 0.000 1.244 574 Y CB 0.234 38.444 38.460 -0.416 0.000 1.125 574 Y HN 0.132 nan 8.280 nan 0.000 0.524 575 E N -0.492 119.768 120.200 0.101 0.000 2.389 575 E HA -0.247 4.103 4.350 -0.000 0.000 0.243 575 E C 0.573 177.332 176.600 0.264 0.000 1.154 575 E CA 0.437 56.921 56.400 0.139 0.000 0.723 575 E CB -1.348 28.412 29.700 0.101 0.000 1.261 575 E HN 0.494 nan 8.360 nan 0.000 0.390 576 A N 0.339 123.256 122.820 0.161 0.000 2.574 576 A HA 0.196 4.516 4.320 -0.000 0.000 0.283 576 A C 1.445 179.081 177.584 0.086 0.000 1.270 576 A CA -0.213 51.857 52.037 0.055 0.000 0.945 576 A CB 0.320 19.285 19.000 -0.058 0.000 1.127 576 A HN 0.145 nan 8.150 nan 0.000 0.522 577 Q N 0.553 120.412 119.800 0.097 0.000 2.173 577 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 577 Q C 0.597 176.636 176.000 0.065 0.000 0.989 577 Q CA 2.134 57.982 55.803 0.074 0.000 0.872 577 Q CB -0.055 28.718 28.738 0.059 0.000 0.909 577 Q HN 0.557 nan 8.270 nan 0.000 0.420 578 D N -0.852 119.595 120.400 0.079 0.000 2.339 578 D HA 0.093 4.733 4.640 -0.000 0.000 0.217 578 D C -0.191 176.155 176.300 0.078 0.000 1.050 578 D CA 0.094 54.138 54.000 0.074 0.000 0.856 578 D CB 0.251 41.101 40.800 0.083 0.000 0.922 578 D HN 0.224 nan 8.370 nan 0.000 0.518 579 L N 1.472 122.727 121.223 0.054 0.000 2.380 579 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 579 L C 0.641 177.538 176.870 0.045 0.000 1.138 579 L CA -0.027 54.844 54.840 0.051 0.000 0.832 579 L CB 0.731 42.776 42.059 -0.022 0.000 1.124 579 L HN -0.228 nan 8.230 nan 0.000 0.454 580 Q N 4.166 124.008 119.800 0.070 0.000 2.345 580 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 580 Q C -2.420 173.569 176.000 -0.017 0.000 1.054 580 Q CA -1.988 53.801 55.803 -0.024 0.000 0.835 580 Q CB 2.275 30.931 28.738 -0.137 0.000 1.339 580 Q HN 0.340 nan 8.270 nan 0.000 0.447 581 P HA -0.011 nan 4.420 nan 0.000 0.272 581 P C 0.692 177.958 177.300 -0.055 0.000 1.230 581 P CA -0.348 62.700 63.100 -0.086 0.000 0.788 581 P CB 0.925 32.554 31.700 -0.117 0.000 0.949 582 L N 2.959 124.182 121.223 0.001 0.000 2.081 582 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 582 L C 2.430 179.322 176.870 0.037 0.000 1.080 582 L CA 2.682 57.570 54.840 0.080 0.000 0.754 582 L CB -1.642 40.428 42.059 0.019 0.000 0.893 582 L HN 0.489 nan 8.230 nan 0.000 0.433 583 S N -2.642 113.042 115.700 -0.026 0.000 2.402 583 S HA -0.245 4.225 4.470 -0.000 0.000 0.233 583 S C 1.887 176.438 174.600 -0.081 0.000 1.030 583 S CA 1.685 59.868 58.200 -0.028 0.000 1.003 583 S CB -1.392 61.782 63.200 -0.044 0.000 0.813 583 S HN 0.567 nan 8.310 nan 0.000 0.477 584 T N 1.313 115.738 114.554 -0.214 0.000 2.684 584 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 584 T C 1.392 175.885 174.700 -0.345 0.000 1.036 584 T CA 1.915 63.795 62.100 -0.366 0.000 1.148 584 T CB -0.531 67.963 68.868 -0.624 0.000 0.863 584 T HN 0.631 nan 8.240 nan 0.000 0.436 585 Y N 0.848 121.165 120.300 0.028 0.000 2.286 585 Y HA 0.215 4.765 4.550 -0.000 0.000 0.293 585 Y C 2.184 178.194 175.900 0.183 0.000 1.124 585 Y CA -0.017 58.145 58.100 0.102 0.000 1.178 585 Y CB -0.753 37.758 38.460 0.084 0.000 1.010 585 Y HN 0.124 nan 8.280 nan 0.000 0.536 586 L N 0.125 121.491 121.223 0.238 0.000 2.012 586 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 586 L C 2.294 179.267 176.870 0.172 0.000 1.073 586 L CA 1.727 56.700 54.840 0.222 0.000 0.748 586 L CB -0.539 41.622 42.059 0.170 0.000 0.891 586 L HN 0.165 nan 8.230 nan 0.000 0.431 587 K N -0.433 120.011 120.400 0.073 0.000 2.097 587 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 587 K C 2.157 178.747 176.600 -0.017 0.000 1.049 587 K CA 1.189 57.488 56.287 0.021 0.000 0.933 587 K CB -0.151 32.331 32.500 -0.029 0.000 0.717 587 K HN 0.364 nan 8.250 nan 0.000 0.442 588 Q N -0.299 119.462 119.800 -0.064 0.000 2.112 588 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 588 Q C 1.023 176.790 176.000 -0.388 0.000 0.987 588 Q CA 1.525 57.170 55.803 -0.263 0.000 0.858 588 Q CB -0.030 28.480 28.738 -0.381 0.000 0.905 588 Q HN 0.282 nan 8.270 nan 0.000 0.420 589 F N -1.212 118.779 119.950 0.068 0.000 2.645 589 F HA 0.291 4.818 4.527 -0.000 0.000 0.300 589 F C 1.152 176.996 175.800 0.074 0.000 1.115 589 F CA 0.421 58.466 58.000 0.075 0.000 1.355 589 F CB 0.807 39.861 39.000 0.091 0.000 1.026 589 F HN 0.097 nan 8.300 nan 0.000 0.536 590 G N 0.745 109.630 108.800 0.140 0.000 2.136 590 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 590 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 590 G C -0.125 174.843 174.900 0.113 0.000 0.989 590 G CA -0.314 44.848 45.100 0.104 0.000 0.682 590 G HN 0.289 nan 8.290 nan 0.000 0.522 591 L N 1.938 123.246 121.223 0.142 0.000 2.322 591 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 591 L C 0.220 177.149 176.870 0.099 0.000 1.014 591 L CA -1.152 53.767 54.840 0.132 0.000 0.815 591 L CB 1.344 43.519 42.059 0.194 0.000 1.247 591 L HN 0.358 nan 8.230 nan 0.000 0.421 592 D N 1.118 121.558 120.400 0.067 0.000 2.313 592 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 592 D C -0.687 175.643 176.300 0.051 0.000 1.094 592 D CA -0.504 53.523 54.000 0.045 0.000 0.925 592 D CB 2.150 42.964 40.800 0.024 0.000 1.188 592 D HN 0.413 nan 8.370 nan 0.000 0.430 593 D N 0.000 120.422 120.400 0.037 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.021 54.000 0.035 0.000 0.868 593 D CB 0.000 40.810 40.800 0.017 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683