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 2ez9_1_B 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 0.000 174.738 174.700 0.063 0.000 1.109 9 T CA 0.000 62.129 62.100 0.048 0.000 1.349 9 T CB 0.000 68.889 68.868 0.035 0.000 0.612 10 N N 0.258 118.997 118.700 0.064 0.000 2.362 10 N HA 0.784 5.524 4.740 0.000 0.000 0.299 10 N C -1.505 174.054 175.510 0.083 0.000 1.170 10 N CA -0.682 52.413 53.050 0.074 0.000 0.825 10 N CB 2.751 41.271 38.487 0.056 0.000 1.299 10 N HN 0.392 nan 8.380 nan 0.000 0.502 11 I N 1.054 121.676 120.570 0.087 0.000 2.802 11 I HA 0.337 4.507 4.170 0.000 0.000 0.298 11 I C -1.243 174.887 176.117 0.023 0.000 1.176 11 I CA -0.782 60.556 61.300 0.064 0.000 1.025 11 I CB 1.569 39.630 38.000 0.101 0.000 1.243 11 I HN 0.369 nan 8.210 nan 0.000 0.424 12 L N 6.382 127.607 121.223 0.004 0.000 2.453 12 L HA 0.178 4.519 4.340 0.000 0.000 0.272 12 L C 1.546 178.368 176.870 -0.080 0.000 1.182 12 L CA 0.184 55.022 54.840 -0.004 0.000 0.858 12 L CB 1.225 43.300 42.059 0.027 0.000 1.120 12 L HN 0.868 nan 8.230 nan 0.000 0.474 13 A N 3.591 126.366 122.820 -0.076 0.000 1.940 13 A HA -0.148 4.173 4.320 0.000 0.000 0.219 13 A C 2.146 179.604 177.584 -0.210 0.000 1.176 13 A CA 1.887 53.840 52.037 -0.140 0.000 0.631 13 A CB -0.964 17.981 19.000 -0.092 0.000 0.814 13 A HN 0.991 nan 8.150 nan 0.000 0.446 14 G N -0.470 108.212 108.800 -0.195 0.000 2.446 14 G HA2 -0.049 3.911 3.960 0.000 0.000 0.217 14 G HA3 -0.049 3.911 3.960 0.000 0.000 0.217 14 G C 1.772 176.528 174.900 -0.240 0.000 1.168 14 G CA 1.580 46.534 45.100 -0.244 0.000 0.771 14 G HN 0.849 nan 8.290 nan 0.000 0.551 15 A N 1.164 123.865 122.820 -0.198 0.000 1.908 15 A HA 0.215 4.535 4.320 0.000 0.000 0.218 15 A C 2.823 180.207 177.584 -0.334 0.000 1.181 15 A CA 2.402 54.320 52.037 -0.198 0.000 0.627 15 A CB -0.809 18.120 19.000 -0.118 0.000 0.818 15 A HN 0.856 nan 8.150 nan 0.000 0.445 16 A N -0.693 121.829 122.820 -0.497 0.000 1.933 16 A HA 0.032 4.352 4.320 0.000 0.000 0.218 16 A C 2.218 179.336 177.584 -0.776 0.000 1.175 16 A CA 1.665 53.096 52.037 -1.009 0.000 0.628 16 A CB -0.860 17.357 19.000 -1.304 0.000 0.814 16 A HN 0.374 nan 8.150 nan 0.000 0.444 17 V N 0.660 120.300 119.914 -0.456 0.000 2.295 17 V HA -0.253 3.867 4.120 0.000 0.000 0.246 17 V C 2.408 178.352 176.094 -0.250 0.000 1.049 17 V CA 1.859 63.974 62.300 -0.309 0.000 1.024 17 V CB -0.633 31.040 31.823 -0.251 0.000 0.648 17 V HN 0.531 nan 8.190 nan 0.000 0.447 18 I N -0.323 120.101 120.570 -0.244 0.000 2.315 18 I HA -0.134 4.036 4.170 0.000 0.000 0.248 18 I C 2.394 178.431 176.117 -0.133 0.000 1.117 18 I CA 1.382 62.578 61.300 -0.172 0.000 1.404 18 I CB -1.322 36.584 38.000 -0.157 0.000 1.071 18 I HN 0.308 nan 8.210 nan 0.000 0.419 19 K N 0.712 120.997 120.400 -0.191 0.000 2.147 19 K HA -0.038 4.282 4.320 0.000 0.000 0.205 19 K C 2.278 178.897 176.600 0.033 0.000 1.049 19 K CA 0.733 56.971 56.287 -0.081 0.000 0.936 19 K CB -0.647 31.797 32.500 -0.093 0.000 0.722 19 K HN 0.219 nan 8.250 nan 0.000 0.446 20 V N 1.921 121.807 119.914 -0.047 0.000 2.343 20 V HA -0.213 3.907 4.120 0.000 0.000 0.247 20 V C 2.423 178.648 176.094 0.218 0.000 1.051 20 V CA 1.389 63.782 62.300 0.155 0.000 1.036 20 V CB -0.463 31.413 31.823 0.088 0.000 0.654 20 V HN 0.187 nan 8.190 nan 0.000 0.451 21 L N -0.335 120.932 121.223 0.074 0.000 2.042 21 L HA -0.221 4.119 4.340 0.000 0.000 0.210 21 L C 2.565 179.492 176.870 0.095 0.000 1.076 21 L CA 1.822 56.703 54.840 0.068 0.000 0.749 21 L CB -0.706 41.334 42.059 -0.031 0.000 0.893 21 L HN 0.400 nan 8.230 nan 0.000 0.432 22 E N 0.190 120.422 120.200 0.052 0.000 2.106 22 E HA -0.187 4.163 4.350 0.000 0.000 0.192 22 E C 2.326 178.962 176.600 0.060 0.000 0.984 22 E CA 1.048 57.469 56.400 0.035 0.000 0.806 22 E CB -0.165 29.543 29.700 0.013 0.000 0.750 22 E HN 0.494 nan 8.360 nan 0.000 0.458 23 A N 0.556 123.429 122.820 0.089 0.000 1.933 23 A HA -0.166 4.155 4.320 0.000 0.000 0.218 23 A C 1.443 178.976 177.584 -0.084 0.000 1.175 23 A CA 1.000 53.040 52.037 0.005 0.000 0.628 23 A CB -0.853 18.154 19.000 0.012 0.000 0.814 23 A HN 0.368 nan 8.150 nan 0.000 0.444 24 W N -0.910 120.389 121.300 -0.001 0.000 3.180 24 W HA 0.361 5.021 4.660 0.000 0.000 0.254 24 W C 1.551 178.047 176.519 -0.038 0.000 1.318 24 W CA 0.827 58.158 57.345 -0.022 0.000 1.608 24 W CB 0.023 29.480 29.460 -0.004 0.000 1.124 24 W HN 0.576 nan 8.180 nan 0.000 0.694 25 G N 0.209 109.084 108.800 0.124 0.000 2.147 25 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 25 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 25 G C -0.056 174.860 174.900 0.026 0.000 1.005 25 G CA -0.078 45.054 45.100 0.054 0.000 0.713 25 G HN 0.014 nan 8.290 nan 0.000 0.515 26 V N 0.848 120.775 119.914 0.022 0.000 2.421 26 V HA 0.220 4.340 4.120 0.000 0.000 0.271 26 V C 1.521 177.550 176.094 -0.108 0.000 1.031 26 V CA 1.137 63.398 62.300 -0.066 0.000 1.032 26 V CB 1.230 33.012 31.823 -0.068 0.000 1.009 26 V HN 0.515 nan 8.190 nan 0.000 0.477 27 D N 3.304 123.614 120.400 -0.151 0.000 2.162 27 D HA -0.032 4.608 4.640 0.000 0.000 0.205 27 D C 0.741 177.030 176.300 -0.018 0.000 0.964 27 D CA 0.976 54.942 54.000 -0.058 0.000 0.847 27 D CB 0.326 41.173 40.800 0.078 0.000 0.988 27 D HN 0.815 nan 8.370 nan 0.000 0.480 28 H N -1.524 117.489 119.070 -0.094 0.000 3.016 28 H HA 0.517 5.073 4.556 0.000 0.000 0.362 28 H C -0.869 174.286 175.328 -0.289 0.000 1.233 28 H CA -1.172 54.771 56.048 -0.176 0.000 1.124 28 H CB 0.834 30.460 29.762 -0.226 0.000 1.850 28 H HN 0.108 nan 8.280 nan 0.000 0.549 29 L N -0.705 120.377 121.223 -0.234 0.000 2.479 29 L HA 0.714 5.055 4.340 0.000 0.000 0.255 29 L C -2.056 174.635 176.870 -0.299 0.000 1.026 29 L CA -1.175 53.515 54.840 -0.251 0.000 0.842 29 L CB 2.529 44.610 42.059 0.037 0.000 1.444 29 L HN 0.497 nan 8.230 nan 0.000 0.409 30 Y N 0.068 120.411 120.300 0.072 0.000 2.485 30 Y HA 0.978 5.529 4.550 0.000 0.000 0.345 30 Y C 0.604 176.259 175.900 -0.408 0.000 0.998 30 Y CA -0.167 57.878 58.100 -0.091 0.000 1.059 30 Y CB 2.426 40.817 38.460 -0.116 0.000 1.234 30 Y HN 1.047 nan 8.280 nan 0.000 0.461 31 G N 1.111 109.708 108.800 -0.339 0.000 2.320 31 G HA2 0.508 4.468 3.960 0.000 0.000 0.296 31 G HA3 0.508 4.468 3.960 0.000 0.000 0.296 31 G C -2.261 172.476 174.900 -0.271 0.000 1.306 31 G CA -0.921 43.611 45.100 -0.948 0.000 0.836 31 G HN 0.509 nan 8.290 nan 0.000 0.517 32 I N 2.127 122.595 120.570 -0.169 0.000 2.533 32 I HA 0.398 4.568 4.170 0.000 0.000 0.290 32 I C -2.054 174.251 176.117 0.313 0.000 1.056 32 I CA -2.043 59.352 61.300 0.159 0.000 1.057 32 I CB 2.940 40.997 38.000 0.095 0.000 1.240 32 I HN 0.316 nan 8.210 nan 0.000 0.423 33 P HA 0.393 nan 4.420 nan 0.000 0.274 33 P C -0.421 176.972 177.300 0.155 0.000 1.256 33 P CA -0.026 63.216 63.100 0.237 0.000 0.795 33 P CB 1.357 33.151 31.700 0.156 0.000 1.038 34 G N -1.541 107.316 108.800 0.095 0.000 2.576 34 G HA2 0.426 4.386 3.960 0.000 0.000 0.290 34 G HA3 0.426 4.386 3.960 0.000 0.000 0.290 34 G C 0.691 175.625 174.900 0.058 0.000 1.442 34 G CA -0.103 45.050 45.100 0.088 0.000 0.792 34 G HN 0.473 nan 8.290 nan 0.000 0.491 35 G N 0.113 108.985 108.800 0.120 0.000 2.469 35 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 35 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 35 G C 2.021 176.946 174.900 0.042 0.000 1.136 35 G CA 2.355 47.546 45.100 0.153 0.000 0.759 35 G HN 1.595 nan 8.290 nan 0.000 0.562 36 S N -0.733 114.881 115.700 -0.143 0.000 2.555 36 S HA 0.213 4.683 4.470 0.000 0.000 0.230 36 S C 1.574 175.976 174.600 -0.331 0.000 0.978 36 S CA 0.677 58.595 58.200 -0.469 0.000 0.934 36 S CB 0.084 62.699 63.200 -0.975 0.000 0.766 36 S HN 0.350 nan 8.310 nan 0.000 0.533 37 I N 0.212 120.639 120.570 -0.238 0.000 3.994 37 I HA 0.308 4.478 4.170 0.000 0.000 0.323 37 I C 0.625 176.542 176.117 -0.333 0.000 1.501 37 I CA -0.110 61.012 61.300 -0.297 0.000 1.112 37 I CB 0.363 38.211 38.000 -0.252 0.000 1.254 37 I HN 0.004 nan 8.210 nan 0.000 0.495 38 N N 0.739 119.287 118.700 -0.252 0.000 2.453 38 N HA -0.113 4.627 4.740 0.000 0.000 0.183 38 N C 1.981 177.243 175.510 -0.414 0.000 1.041 38 N CA 1.547 54.481 53.050 -0.193 0.000 0.900 38 N CB 0.096 38.618 38.487 0.060 0.000 0.961 38 N HN 0.525 nan 8.380 nan 0.000 0.443 39 S N -0.174 114.981 115.700 -0.908 0.000 2.414 39 S HA 0.053 4.523 4.470 0.000 0.000 0.227 39 S C 1.897 176.035 174.600 -0.771 0.000 1.022 39 S CA 0.222 57.556 58.200 -1.443 0.000 0.958 39 S CB -0.068 61.758 63.200 -2.290 0.000 0.797 39 S HN 0.052 nan 8.310 nan 0.000 0.493 40 I N 1.906 122.111 120.570 -0.608 0.000 2.252 40 I HA -0.046 4.125 4.170 0.000 0.000 0.245 40 I C 2.430 178.265 176.117 -0.470 0.000 1.102 40 I CA 1.151 62.146 61.300 -0.509 0.000 1.385 40 I CB -1.076 36.594 38.000 -0.550 0.000 1.064 40 I HN 0.307 nan 8.210 nan 0.000 0.414 41 M N 0.070 119.388 119.600 -0.471 0.000 2.108 41 M HA -0.242 4.238 4.480 0.000 0.000 0.261 41 M C 1.968 178.133 176.300 -0.224 0.000 1.066 41 M CA 1.629 56.705 55.300 -0.374 0.000 1.107 41 M CB -1.489 30.950 32.600 -0.268 0.000 1.356 41 M HN 0.165 nan 8.290 nan 0.000 0.406 42 D N 0.149 120.450 120.400 -0.165 0.000 2.117 42 D HA -0.060 4.580 4.640 0.000 0.000 0.197 42 D C 1.930 178.196 176.300 -0.058 0.000 0.987 42 D CA 1.711 55.698 54.000 -0.021 0.000 0.829 42 D CB 0.078 40.980 40.800 0.170 0.000 0.961 42 D HN 0.311 nan 8.370 nan 0.000 0.460 43 A N 0.081 122.815 122.820 -0.144 0.000 1.898 43 A HA -0.079 4.241 4.320 0.000 0.000 0.216 43 A C 2.483 179.992 177.584 -0.125 0.000 1.181 43 A CA 0.868 52.825 52.037 -0.134 0.000 0.620 43 A CB -0.753 18.130 19.000 -0.194 0.000 0.819 43 A HN 0.319 nan 8.150 nan 0.000 0.442 44 L N -0.702 120.420 121.223 -0.169 0.000 2.042 44 L HA -0.178 4.162 4.340 0.000 0.000 0.210 44 L C 2.886 179.720 176.870 -0.060 0.000 1.076 44 L CA 1.514 56.273 54.840 -0.135 0.000 0.749 44 L CB -0.430 41.500 42.059 -0.215 0.000 0.893 44 L HN 0.474 nan 8.230 nan 0.000 0.432 45 S N -0.408 115.260 115.700 -0.054 0.000 2.400 45 S HA -0.167 4.303 4.470 0.000 0.000 0.232 45 S C 1.960 176.570 174.600 0.017 0.000 1.025 45 S CA 1.236 59.438 58.200 0.004 0.000 0.993 45 S CB -0.073 63.133 63.200 0.011 0.000 0.808 45 S HN 0.463 nan 8.310 nan 0.000 0.478 46 A N 0.127 122.948 122.820 0.001 0.000 2.167 46 A HA 0.171 4.491 4.320 0.000 0.000 0.214 46 A C 1.376 178.964 177.584 0.006 0.000 1.151 46 A CA 0.571 52.613 52.037 0.009 0.000 0.735 46 A CB -0.003 19.000 19.000 0.004 0.000 0.802 46 A HN 0.430 nan 8.150 nan 0.000 0.467 47 E N -0.501 119.696 120.200 -0.004 0.000 2.736 47 E HA 0.155 4.505 4.350 0.000 0.000 0.208 47 E C 0.804 177.405 176.600 0.001 0.000 0.996 47 E CA -0.157 56.236 56.400 -0.011 0.000 1.104 47 E CB 0.152 29.827 29.700 -0.042 0.000 1.111 47 E HN 0.550 nan 8.360 nan 0.000 0.455 48 R N 0.309 120.834 120.500 0.042 0.000 2.189 48 R HA -0.120 4.220 4.340 0.000 0.000 0.223 48 R C 1.612 177.984 176.300 0.120 0.000 1.092 48 R CA 1.222 57.379 56.100 0.095 0.000 0.989 48 R CB 0.095 30.467 30.300 0.120 0.000 0.876 48 R HN 0.049 nan 8.270 nan 0.000 0.457 49 D N 0.421 120.868 120.400 0.079 0.000 2.183 49 D HA -0.099 4.541 4.640 0.000 0.000 0.203 49 D C 1.634 177.971 176.300 0.062 0.000 0.969 49 D CA 1.163 55.222 54.000 0.099 0.000 0.842 49 D CB 0.280 41.119 40.800 0.065 0.000 0.957 49 D HN 0.050 nan 8.370 nan 0.000 0.484 50 R N -0.990 119.482 120.500 -0.046 0.000 2.254 50 R HA 0.379 4.720 4.340 0.000 0.000 0.193 50 R C 0.073 176.196 176.300 -0.296 0.000 0.929 50 R CA -0.027 56.005 56.100 -0.114 0.000 1.038 50 R CB 1.307 31.576 30.300 -0.052 0.000 1.009 50 R HN 0.174 nan 8.270 nan 0.000 0.512 51 I N 0.517 120.864 120.570 -0.373 0.000 2.656 51 I HA 0.221 4.391 4.170 0.000 0.000 0.292 51 I C -1.415 174.468 176.117 -0.390 0.000 1.144 51 I CA -0.905 60.144 61.300 -0.418 0.000 1.038 51 I CB 1.900 39.796 38.000 -0.174 0.000 1.244 51 I HN 0.104 nan 8.210 nan 0.000 0.420 52 H N 6.508 125.608 119.070 0.050 0.000 2.623 52 H HA 0.232 4.788 4.556 0.000 0.000 0.299 52 H C -1.246 174.109 175.328 0.046 0.000 1.052 52 H CA -0.499 55.580 56.048 0.051 0.000 1.231 52 H CB 0.803 30.574 29.762 0.016 0.000 1.389 52 H HN 0.442 nan 8.280 nan 0.000 0.469 53 Y N 4.819 125.162 120.300 0.071 0.000 2.359 53 Y HA 0.195 4.745 4.550 0.000 0.000 0.334 53 Y C -0.875 175.006 175.900 -0.032 0.000 1.058 53 Y CA -1.155 56.967 58.100 0.036 0.000 1.244 53 Y CB 0.412 38.936 38.460 0.107 0.000 1.187 53 Y HN 0.494 nan 8.280 nan 0.000 0.510 54 I N 7.517 127.653 120.570 -0.723 0.000 2.359 54 I HA 0.160 4.330 4.170 0.000 0.000 0.284 54 I C -0.184 175.421 176.117 -0.853 0.000 1.018 54 I CA -0.678 60.084 61.300 -0.896 0.000 1.173 54 I CB 1.130 38.709 38.000 -0.703 0.000 1.326 54 I HN 0.630 nan 8.210 nan 0.000 0.462 55 Q N 7.185 126.553 119.800 -0.720 0.000 2.323 55 Q HA 0.296 4.636 4.340 0.000 0.000 0.257 55 Q C -0.584 175.430 176.000 0.023 0.000 1.022 55 Q CA -0.199 55.442 55.803 -0.271 0.000 0.919 55 Q CB 1.277 30.014 28.738 -0.001 0.000 1.220 55 Q HN 0.601 nan 8.270 nan 0.000 0.427 56 V N 3.006 122.935 119.914 0.025 0.000 3.295 56 V HA 0.440 4.560 4.120 0.000 0.000 0.308 56 V C 0.763 176.903 176.094 0.078 0.000 1.068 56 V CA -0.625 61.712 62.300 0.062 0.000 1.062 56 V CB 1.238 33.080 31.823 0.032 0.000 1.162 56 V HN 0.699 nan 8.190 nan 0.000 0.456 57 R N -0.434 120.115 120.500 0.082 0.000 2.290 57 R HA 0.311 4.651 4.340 0.000 0.000 0.197 57 R C 0.211 176.585 176.300 0.123 0.000 0.913 57 R CA 0.387 56.541 56.100 0.090 0.000 1.040 57 R CB -0.537 29.810 30.300 0.077 0.000 0.992 57 R HN 0.945 nan 8.270 nan 0.000 0.500 58 H N -0.054 119.011 119.070 -0.008 0.000 3.026 58 H HA 0.177 4.733 4.556 0.000 0.000 0.352 58 H C -0.188 175.107 175.328 -0.054 0.000 1.090 58 H CA -0.214 55.806 56.048 -0.046 0.000 1.268 58 H CB 1.640 31.328 29.762 -0.124 0.000 1.816 58 H HN -0.211 nan 8.280 nan 0.000 0.518 59 E N 2.275 122.513 120.200 0.063 0.000 2.204 59 E HA -0.192 4.158 4.350 0.000 0.000 0.195 59 E C 1.785 178.468 176.600 0.138 0.000 0.990 59 E CA 1.405 57.859 56.400 0.089 0.000 0.821 59 E CB 0.178 29.932 29.700 0.090 0.000 0.750 59 E HN 0.787 nan 8.360 nan 0.000 0.477 60 E N 0.577 120.957 120.200 0.302 0.000 2.153 60 E HA -0.173 4.178 4.350 0.000 0.000 0.194 60 E C 1.811 178.406 176.600 -0.010 0.000 0.988 60 E CA 1.312 57.780 56.400 0.112 0.000 0.811 60 E CB -0.199 29.508 29.700 0.010 0.000 0.746 60 E HN 0.124 nan 8.360 nan 0.000 0.466 61 V N 1.552 121.449 119.914 -0.027 0.000 2.427 61 V HA -0.156 3.964 4.120 0.000 0.000 0.248 61 V C 2.530 178.496 176.094 -0.213 0.000 1.051 61 V CA 1.884 64.120 62.300 -0.106 0.000 1.048 61 V CB -0.867 30.911 31.823 -0.074 0.000 0.666 61 V HN 0.563 nan 8.190 nan 0.000 0.456 62 G N -0.261 108.436 108.800 -0.171 0.000 2.421 62 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 62 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 62 G C 1.774 176.513 174.900 -0.267 0.000 1.171 62 G CA 1.095 46.038 45.100 -0.261 0.000 0.775 62 G HN 0.600 nan 8.290 nan 0.000 0.543 63 A N 0.522 123.271 122.820 -0.118 0.000 1.898 63 A HA 0.066 4.386 4.320 0.000 0.000 0.216 63 A C 2.478 179.997 177.584 -0.108 0.000 1.181 63 A CA 1.796 53.789 52.037 -0.073 0.000 0.620 63 A CB -0.349 18.646 19.000 -0.007 0.000 0.819 63 A HN 0.382 nan 8.150 nan 0.000 0.442 64 M N -0.549 118.980 119.600 -0.118 0.000 2.159 64 M HA -0.124 4.356 4.480 0.000 0.000 0.263 64 M C 2.483 178.683 176.300 -0.167 0.000 1.063 64 M CA 1.375 56.612 55.300 -0.104 0.000 1.110 64 M CB -0.357 32.197 32.600 -0.076 0.000 1.374 64 M HN 0.480 nan 8.290 nan 0.000 0.411 65 A N 0.315 122.929 122.820 -0.343 0.000 1.930 65 A HA 0.010 4.330 4.320 0.000 0.000 0.217 65 A C 2.366 179.787 177.584 -0.272 0.000 1.175 65 A CA 1.710 53.466 52.037 -0.469 0.000 0.627 65 A CB -0.838 17.507 19.000 -1.091 0.000 0.815 65 A HN 0.475 nan 8.150 nan 0.000 0.443 66 A N 0.041 122.726 122.820 -0.224 0.000 1.902 66 A HA 0.151 4.471 4.320 0.000 0.000 0.217 66 A C 2.514 180.098 177.584 -0.000 0.000 1.181 66 A CA 2.093 54.168 52.037 0.063 0.000 0.623 66 A CB -1.060 17.990 19.000 0.084 0.000 0.818 66 A HN 1.040 nan 8.150 nan 0.000 0.443 67 A N -0.027 122.764 122.820 -0.047 0.000 1.883 67 A HA 0.090 4.410 4.320 0.000 0.000 0.217 67 A C 2.532 180.102 177.584 -0.023 0.000 1.186 67 A CA 2.372 54.382 52.037 -0.046 0.000 0.624 67 A CB -1.127 17.842 19.000 -0.051 0.000 0.822 67 A HN 1.133 nan 8.150 nan 0.000 0.444 68 A N -0.245 122.566 122.820 -0.015 0.000 1.933 68 A HA -0.205 4.115 4.320 0.000 0.000 0.218 68 A C 1.802 179.424 177.584 0.063 0.000 1.175 68 A CA 1.873 53.922 52.037 0.019 0.000 0.628 68 A CB -0.638 18.371 19.000 0.016 0.000 0.814 68 A HN 0.497 nan 8.150 nan 0.000 0.444 69 D N 0.134 120.588 120.400 0.091 0.000 2.116 69 D HA -0.152 4.488 4.640 0.000 0.000 0.193 69 D C 2.241 178.580 176.300 0.064 0.000 0.998 69 D CA 1.810 55.880 54.000 0.118 0.000 0.836 69 D CB -0.392 40.486 40.800 0.131 0.000 0.951 69 D HN 0.439 nan 8.370 nan 0.000 0.449 70 A N 0.906 123.740 122.820 0.023 0.000 1.930 70 A HA -0.168 4.152 4.320 0.000 0.000 0.217 70 A C 2.071 179.673 177.584 0.029 0.000 1.175 70 A CA 1.294 53.334 52.037 0.006 0.000 0.627 70 A CB -0.297 18.674 19.000 -0.049 0.000 0.815 70 A HN 0.156 nan 8.150 nan 0.000 0.443 71 K N -0.358 120.052 120.400 0.018 0.000 2.063 71 K HA -0.076 4.244 4.320 0.000 0.000 0.208 71 K C 1.772 178.404 176.600 0.054 0.000 1.048 71 K CA 1.485 57.780 56.287 0.013 0.000 0.928 71 K CB -0.348 32.146 32.500 -0.011 0.000 0.713 71 K HN 0.462 nan 8.250 nan 0.000 0.442 72 L N 0.056 121.338 121.223 0.098 0.000 2.095 72 L HA -0.095 4.245 4.340 0.000 0.000 0.204 72 L C 2.544 179.535 176.870 0.202 0.000 1.080 72 L CA 1.455 56.398 54.840 0.172 0.000 0.759 72 L CB -0.352 41.872 42.059 0.274 0.000 0.914 72 L HN 0.343 nan 8.230 nan 0.000 0.439 73 T N -5.128 109.521 114.554 0.159 0.000 2.990 73 T HA 0.260 4.610 4.350 0.000 0.000 0.250 73 T C 1.486 176.262 174.700 0.127 0.000 1.041 73 T CA 0.513 62.702 62.100 0.148 0.000 1.010 73 T CB 0.871 69.787 68.868 0.079 0.000 1.003 73 T HN 0.385 nan 8.240 nan 0.000 0.499 74 G N 1.646 110.517 108.800 0.118 0.000 2.184 74 G HA2 -0.250 3.711 3.960 0.000 0.000 0.264 74 G HA3 -0.250 3.711 3.960 0.000 0.000 0.264 74 G C -0.044 174.976 174.900 0.200 0.000 0.975 74 G CA 0.346 45.533 45.100 0.146 0.000 0.642 74 G HN 0.684 nan 8.290 nan 0.000 0.536 75 K N 0.004 120.490 120.400 0.143 0.000 2.110 75 K HA 0.599 4.919 4.320 0.000 0.000 0.263 75 K C 0.664 177.251 176.600 -0.022 0.000 0.975 75 K CA -0.973 55.415 56.287 0.168 0.000 0.895 75 K CB 2.049 34.612 32.500 0.104 0.000 1.060 75 K HN 0.247 nan 8.250 nan 0.000 0.448 76 I N 1.872 122.303 120.570 -0.231 0.000 2.826 76 I HA -0.060 4.110 4.170 0.000 0.000 0.295 76 I C 0.365 176.346 176.117 -0.226 0.000 1.213 76 I CA 0.530 61.560 61.300 -0.450 0.000 1.436 76 I CB 0.385 37.907 38.000 -0.797 0.000 1.348 76 I HN 0.686 nan 8.210 nan 0.000 0.570 77 G N 6.315 115.011 108.800 -0.173 0.000 2.425 77 G HA2 0.541 4.501 3.960 0.000 0.000 0.302 77 G HA3 0.541 4.501 3.960 0.000 0.000 0.302 77 G C -1.131 173.723 174.900 -0.076 0.000 1.159 77 G CA -0.439 44.613 45.100 -0.080 0.000 0.865 77 G HN 0.525 nan 8.290 nan 0.000 0.515 78 V N 0.722 120.632 119.914 -0.007 0.000 2.577 78 V HA 0.565 4.685 4.120 0.000 0.000 0.303 78 V C 0.167 176.341 176.094 0.134 0.000 1.042 78 V CA -0.771 61.534 62.300 0.008 0.000 0.872 78 V CB 0.929 32.728 31.823 -0.039 0.000 0.998 78 V HN 1.234 nan 8.190 nan 0.000 0.423 79 C N 3.572 122.943 119.300 0.118 0.000 3.236 79 C HA 1.027 5.487 4.460 0.000 0.000 0.312 79 C C -0.955 174.131 174.990 0.160 0.000 1.374 79 C CA -0.984 58.114 59.018 0.133 0.000 1.455 79 C CB 1.410 29.193 27.740 0.072 0.000 1.834 79 C HN 1.030 nan 8.230 nan 0.000 0.460 80 F N -0.501 119.478 119.950 0.049 0.000 2.662 80 F HA 0.935 5.462 4.527 0.000 0.000 0.312 80 F C -0.336 175.474 175.800 0.017 0.000 1.113 80 F CA -0.400 57.593 58.000 -0.012 0.000 0.951 80 F CB 1.365 40.334 39.000 -0.051 0.000 1.344 80 F HN 1.164 nan 8.300 nan 0.000 0.462 81 G N 0.476 109.407 108.800 0.218 0.000 2.706 81 G HA2 0.547 4.507 3.960 0.000 0.000 0.297 81 G HA3 0.547 4.507 3.960 0.000 0.000 0.297 81 G C -1.368 173.616 174.900 0.141 0.000 1.403 81 G CA -0.628 44.556 45.100 0.141 0.000 0.954 81 G HN 1.057 nan 8.290 nan 0.000 0.500 82 S N 0.389 116.154 115.700 0.107 0.000 2.596 82 S HA 0.614 5.084 4.470 0.000 0.000 0.260 82 S C 0.992 175.568 174.600 -0.039 0.000 1.336 82 S CA 0.145 58.354 58.200 0.015 0.000 0.993 82 S CB 1.095 64.312 63.200 0.029 0.000 0.923 82 S HN 1.900 nan 8.310 nan 0.000 0.567 83 A N 1.247 123.981 122.820 -0.143 0.000 2.555 83 A HA 0.501 4.821 4.320 0.000 0.000 0.233 83 A C 1.537 179.106 177.584 -0.026 0.000 1.060 83 A CA 0.348 52.306 52.037 -0.132 0.000 0.759 83 A CB -1.482 17.316 19.000 -0.336 0.000 0.995 83 A HN 2.457 nan 8.150 nan 0.000 0.506 84 G N 2.118 110.926 108.800 0.013 0.000 2.557 84 G HA2 -0.281 3.679 3.960 0.000 0.000 0.292 84 G HA3 -0.281 3.679 3.960 0.000 0.000 0.292 84 G C -0.676 174.210 174.900 -0.024 0.000 1.162 84 G CA 0.436 45.535 45.100 -0.001 0.000 0.964 84 G HN 0.855 nan 8.290 nan 0.000 0.541 85 P HA 0.012 nan 4.420 nan 0.000 0.222 85 P C 1.914 179.093 177.300 -0.202 0.000 1.147 85 P CA 2.409 65.401 63.100 -0.179 0.000 0.790 85 P CB -0.643 30.930 31.700 -0.212 0.000 0.780 86 G N 0.608 109.363 108.800 -0.074 0.000 2.404 86 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 86 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 86 G C 1.863 176.799 174.900 0.062 0.000 1.174 86 G CA 0.919 46.017 45.100 -0.004 0.000 0.780 86 G HN 0.356 nan 8.290 nan 0.000 0.537 87 G N 0.570 109.422 108.800 0.088 0.000 2.404 87 G HA2 -0.156 3.804 3.960 0.000 0.000 0.215 87 G HA3 -0.156 3.804 3.960 0.000 0.000 0.215 87 G C 2.018 177.078 174.900 0.268 0.000 1.174 87 G CA 2.205 47.420 45.100 0.191 0.000 0.780 87 G HN 0.574 nan 8.290 nan 0.000 0.537 88 T N -2.097 112.552 114.554 0.160 0.000 2.881 88 T HA -0.108 4.242 4.350 0.000 0.000 0.270 88 T C 1.921 176.736 174.700 0.192 0.000 1.068 88 T CA 1.498 63.665 62.100 0.112 0.000 1.131 88 T CB -0.663 68.209 68.868 0.007 0.000 0.871 88 T HN 0.545 nan 8.240 nan 0.000 0.479 89 H N 0.664 119.788 119.070 0.089 0.000 2.489 89 H HA 0.141 4.697 4.556 0.000 0.000 0.293 89 H C 1.878 177.300 175.328 0.156 0.000 1.066 89 H CA 0.734 56.852 56.048 0.116 0.000 1.305 89 H CB -0.183 29.573 29.762 -0.010 0.000 1.386 89 H HN 0.321 nan 8.280 nan 0.000 0.551 90 L N -0.055 121.321 121.223 0.255 0.000 2.362 90 L HA -0.175 4.165 4.340 0.000 0.000 0.219 90 L C 2.162 179.140 176.870 0.180 0.000 1.134 90 L CA 0.050 54.998 54.840 0.180 0.000 0.807 90 L CB -0.200 41.947 42.059 0.147 0.000 0.927 90 L HN 0.370 nan 8.230 nan 0.000 0.447 91 M N -0.009 119.727 119.600 0.226 0.000 2.082 91 M HA -0.242 4.239 4.480 0.000 0.000 0.258 91 M C 1.911 178.371 176.300 0.267 0.000 1.069 91 M CA 1.836 57.293 55.300 0.263 0.000 1.102 91 M CB -1.349 31.404 32.600 0.254 0.000 1.336 91 M HN 0.291 nan 8.290 nan 0.000 0.404 92 N N 0.182 119.020 118.700 0.230 0.000 2.223 92 N HA -0.080 4.660 4.740 0.000 0.000 0.185 92 N C 1.766 177.385 175.510 0.182 0.000 1.016 92 N CA 1.553 54.774 53.050 0.285 0.000 0.863 92 N CB -0.625 38.014 38.487 0.253 0.000 0.983 92 N HN 0.504 nan 8.380 nan 0.000 0.429 93 G N 0.232 109.091 108.800 0.098 0.000 2.403 93 G HA2 -0.086 3.874 3.960 0.000 0.000 0.216 93 G HA3 -0.086 3.874 3.960 0.000 0.000 0.216 93 G C 1.434 176.318 174.900 -0.028 0.000 1.154 93 G CA 0.216 45.332 45.100 0.027 0.000 0.784 93 G HN 0.191 nan 8.290 nan 0.000 0.538 94 L N -0.995 120.213 121.223 -0.025 0.000 2.056 94 L HA -0.043 4.297 4.340 0.000 0.000 0.207 94 L C 2.643 179.345 176.870 -0.281 0.000 1.078 94 L CA 0.957 55.725 54.840 -0.121 0.000 0.749 94 L CB -0.554 41.454 42.059 -0.085 0.000 0.901 94 L HN 0.159 nan 8.230 nan 0.000 0.433 95 Y N 0.316 120.400 120.300 -0.359 0.000 2.224 95 Y HA -0.301 4.249 4.550 0.000 0.000 0.289 95 Y C 2.447 177.924 175.900 -0.705 0.000 1.146 95 Y CA 1.782 59.441 58.100 -0.735 0.000 1.182 95 Y CB -0.331 37.237 38.460 -1.487 0.000 0.983 95 Y HN 0.262 nan 8.280 nan 0.000 0.524 96 D N -0.309 119.898 120.400 -0.322 0.000 2.123 96 D HA -0.199 4.441 4.640 0.000 0.000 0.196 96 D C 2.202 178.453 176.300 -0.082 0.000 0.992 96 D CA 1.439 55.405 54.000 -0.057 0.000 0.833 96 D CB -0.244 40.598 40.800 0.070 0.000 0.954 96 D HN 0.251 nan 8.370 nan 0.000 0.455 97 A N 0.267 123.018 122.820 -0.114 0.000 1.898 97 A HA -0.143 4.177 4.320 0.000 0.000 0.216 97 A C 2.284 179.804 177.584 -0.108 0.000 1.181 97 A CA 1.561 53.534 52.037 -0.107 0.000 0.620 97 A CB -0.631 18.305 19.000 -0.107 0.000 0.819 97 A HN 0.240 nan 8.150 nan 0.000 0.442 98 R N -0.401 120.007 120.500 -0.154 0.000 2.073 98 R HA -0.150 4.190 4.340 0.000 0.000 0.234 98 R C 1.856 178.136 176.300 -0.034 0.000 1.134 98 R CA 1.716 57.744 56.100 -0.119 0.000 0.952 98 R CB -0.198 29.968 30.300 -0.223 0.000 0.850 98 R HN 0.456 nan 8.270 nan 0.000 0.433 99 E N 0.381 120.559 120.200 -0.035 0.000 2.152 99 E HA -0.123 4.227 4.350 0.000 0.000 0.192 99 E C 0.974 177.598 176.600 0.040 0.000 0.983 99 E CA 0.962 57.395 56.400 0.055 0.000 0.818 99 E CB -0.053 29.723 29.700 0.127 0.000 0.758 99 E HN 0.377 nan 8.360 nan 0.000 0.467 100 D N -0.033 120.323 120.400 -0.073 0.000 2.328 100 D HA -0.013 4.627 4.640 0.000 0.000 0.221 100 D C -0.423 175.489 176.300 -0.648 0.000 1.072 100 D CA 0.156 53.977 54.000 -0.299 0.000 0.850 100 D CB -0.522 40.160 40.800 -0.197 0.000 0.922 100 D HN 0.339 nan 8.370 nan 0.000 0.516 101 H N -2.132 116.940 119.070 0.004 0.000 2.592 101 H HA -0.151 4.405 4.556 0.000 0.000 0.323 101 H C -0.622 174.709 175.328 0.004 0.000 1.117 101 H CA 0.309 56.360 56.048 0.005 0.000 1.120 101 H CB -2.637 27.138 29.762 0.023 0.000 1.561 101 H HN 0.007 nan 8.280 nan 0.000 0.409 102 V N -2.596 117.303 119.914 -0.026 0.000 2.769 102 V HA 0.771 4.891 4.120 0.000 0.000 0.312 102 V C -2.358 173.698 176.094 -0.063 0.000 1.061 102 V CA -2.520 59.763 62.300 -0.028 0.000 0.931 102 V CB 2.575 34.361 31.823 -0.063 0.000 1.010 102 V HN 0.283 nan 8.190 nan 0.000 0.433 103 P HA 0.377 nan 4.420 nan 0.000 0.276 103 P C -0.843 176.306 177.300 -0.252 0.000 1.253 103 P CA 0.004 62.963 63.100 -0.235 0.000 0.766 103 P CB 1.464 32.889 31.700 -0.459 0.000 0.845 104 V N 5.046 124.832 119.914 -0.213 0.000 2.760 104 V HA 0.296 4.416 4.120 0.000 0.000 0.309 104 V C -0.231 175.755 176.094 -0.180 0.000 1.077 104 V CA -0.846 61.347 62.300 -0.178 0.000 0.910 104 V CB 2.358 34.110 31.823 -0.118 0.000 1.008 104 V HN 0.384 nan 8.190 nan 0.000 0.424 105 L N 4.462 125.580 121.223 -0.174 0.000 2.296 105 L HA 0.914 5.254 4.340 0.000 0.000 0.286 105 L C 0.096 176.907 176.870 -0.098 0.000 1.023 105 L CA -0.038 54.711 54.840 -0.153 0.000 0.812 105 L CB 1.217 43.166 42.059 -0.183 0.000 1.223 105 L HN 0.796 nan 8.230 nan 0.000 0.421 106 A N 6.585 129.341 122.820 -0.106 0.000 2.304 106 A HA 0.704 5.024 4.320 0.000 0.000 0.314 106 A C -1.120 176.389 177.584 -0.124 0.000 1.187 106 A CA -0.569 51.411 52.037 -0.094 0.000 0.810 106 A CB 0.559 19.482 19.000 -0.129 0.000 1.183 106 A HN 0.711 nan 8.150 nan 0.000 0.487 107 L N 3.807 124.997 121.223 -0.056 0.000 2.289 107 L HA 0.493 4.833 4.340 0.000 0.000 0.285 107 L C -0.668 176.151 176.870 -0.085 0.000 1.049 107 L CA -0.627 54.158 54.840 -0.091 0.000 0.804 107 L CB 1.154 43.160 42.059 -0.088 0.000 1.195 107 L HN 0.477 nan 8.230 nan 0.000 0.428 108 I N 2.390 122.855 120.570 -0.175 0.000 2.406 108 I HA 0.342 4.512 4.170 0.000 0.000 0.290 108 I C 0.830 176.853 176.117 -0.156 0.000 0.999 108 I CA -0.310 60.889 61.300 -0.168 0.000 1.124 108 I CB 1.295 39.122 38.000 -0.288 0.000 1.289 108 I HN 0.589 nan 8.210 nan 0.000 0.441 109 G N 4.492 113.209 108.800 -0.139 0.000 2.554 109 G HA2 0.301 4.261 3.960 0.000 0.000 0.238 109 G HA3 0.301 4.261 3.960 0.000 0.000 0.238 109 G C -0.424 174.326 174.900 -0.251 0.000 1.259 109 G CA 0.154 45.122 45.100 -0.220 0.000 0.843 109 G HN 0.613 nan 8.290 nan 0.000 0.582 110 Q N -0.270 119.341 119.800 -0.316 0.000 2.435 110 Q HA 0.550 4.890 4.340 0.000 0.000 0.282 110 Q C -1.079 174.697 176.000 -0.373 0.000 1.020 110 Q CA -0.798 54.832 55.803 -0.288 0.000 0.820 110 Q CB 1.121 29.788 28.738 -0.118 0.000 1.436 110 Q HN 0.405 nan 8.270 nan 0.000 0.395 111 F N 0.573 120.528 119.950 0.009 0.000 2.440 111 F HA 0.534 5.061 4.527 0.000 0.000 0.323 111 F C 1.592 177.406 175.800 0.023 0.000 1.192 111 F CA 0.805 58.823 58.000 0.029 0.000 1.252 111 F CB 0.550 39.581 39.000 0.050 0.000 1.214 111 F HN 0.630 nan 8.300 nan 0.000 0.578 112 G N -0.141 108.806 108.800 0.245 0.000 2.614 112 G HA2 0.220 4.180 3.960 0.000 0.000 0.239 112 G HA3 0.220 4.180 3.960 0.000 0.000 0.239 112 G C 0.938 175.906 174.900 0.112 0.000 1.240 112 G CA 0.008 45.194 45.100 0.142 0.000 0.842 112 G HN 0.836 nan 8.290 nan 0.000 0.584 113 T N -1.942 112.656 114.554 0.074 0.000 2.897 113 T HA -0.228 4.122 4.350 0.000 0.000 0.271 113 T C 2.280 177.015 174.700 0.058 0.000 1.084 113 T CA 2.106 64.240 62.100 0.057 0.000 1.123 113 T CB -0.660 68.232 68.868 0.040 0.000 0.865 113 T HN 0.708 nan 8.240 nan 0.000 0.496 114 T N -1.617 112.976 114.554 0.065 0.000 3.035 114 T HA 0.242 4.592 4.350 0.000 0.000 0.268 114 T C 2.031 176.764 174.700 0.054 0.000 1.109 114 T CA 0.773 62.905 62.100 0.054 0.000 1.119 114 T CB -0.484 68.415 68.868 0.051 0.000 0.900 114 T HN 0.506 nan 8.240 nan 0.000 0.503 115 G N 0.193 109.037 108.800 0.073 0.000 2.944 115 G HA2 0.383 4.343 3.960 0.000 0.000 0.220 115 G HA3 0.383 4.343 3.960 0.000 0.000 0.220 115 G C 0.409 175.352 174.900 0.071 0.000 1.100 115 G CA -0.610 44.529 45.100 0.065 0.000 0.780 115 G HN 0.410 nan 8.290 nan 0.000 0.539 116 M N 1.468 121.120 119.600 0.086 0.000 2.250 116 M HA 0.091 4.572 4.480 0.000 0.000 0.337 116 M C 0.510 176.840 176.300 0.050 0.000 1.161 116 M CA 0.299 55.646 55.300 0.079 0.000 1.088 116 M CB 0.267 32.909 32.600 0.070 0.000 1.639 116 M HN 0.151 nan 8.290 nan 0.000 0.447 117 N N 0.870 119.597 118.700 0.045 0.000 2.753 117 N HA -0.174 4.566 4.740 0.000 0.000 0.251 117 N C -0.051 175.473 175.510 0.022 0.000 1.097 117 N CA 0.879 53.946 53.050 0.030 0.000 0.786 117 N CB -0.724 37.778 38.487 0.025 0.000 1.137 117 N HN 0.630 nan 8.380 nan 0.000 0.566 118 M N 0.024 119.637 119.600 0.022 0.000 2.428 118 M HA 0.069 4.549 4.480 0.000 0.000 0.239 118 M C -0.119 176.184 176.300 0.006 0.000 1.121 118 M CA 0.300 55.608 55.300 0.013 0.000 1.019 118 M CB -0.474 32.133 32.600 0.012 0.000 1.485 118 M HN -0.024 nan 8.290 nan 0.000 0.484 119 D N 1.567 121.970 120.400 0.006 0.000 2.705 119 D HA -0.141 4.499 4.640 0.000 0.000 0.240 119 D C 0.458 176.752 176.300 -0.010 0.000 1.137 119 D CA 0.892 54.891 54.000 -0.001 0.000 0.677 119 D CB -1.043 39.757 40.800 0.001 0.000 1.049 119 D HN 0.294 nan 8.370 nan 0.000 0.427 120 T N -1.122 113.417 114.554 -0.026 0.000 2.867 120 T HA 0.424 4.774 4.350 0.000 0.000 0.286 120 T C 0.026 174.685 174.700 -0.068 0.000 1.022 120 T CA -0.673 61.400 62.100 -0.045 0.000 0.933 120 T CB 0.527 69.349 68.868 -0.077 0.000 1.280 120 T HN 0.079 nan 8.240 nan 0.000 0.566 121 F N 2.025 121.822 119.950 -0.254 0.000 2.578 121 F HA 0.185 4.712 4.527 0.000 0.000 0.381 121 F C 1.376 176.996 175.800 -0.301 0.000 1.069 121 F CA 0.612 58.466 58.000 -0.243 0.000 1.231 121 F CB -0.157 38.693 39.000 -0.249 0.000 1.086 121 F HN 0.843 nan 8.300 nan 0.000 0.564 122 Q N 2.089 121.470 119.800 -0.699 0.000 2.480 122 Q HA -0.293 4.047 4.340 0.000 0.000 0.265 122 Q C -0.629 175.411 176.000 0.068 0.000 1.072 122 Q CA 1.117 56.688 55.803 -0.387 0.000 1.018 122 Q CB -0.798 27.703 28.738 -0.396 0.000 1.433 122 Q HN 0.755 nan 8.270 nan 0.000 0.513 123 E N 1.048 121.241 120.200 -0.012 0.000 2.158 123 E HA 0.517 4.867 4.350 0.000 0.000 0.271 123 E C -0.352 176.285 176.600 0.062 0.000 0.911 123 E CA -0.322 56.158 56.400 0.134 0.000 0.767 123 E CB 0.843 30.582 29.700 0.066 0.000 1.120 123 E HN 0.413 nan 8.360 nan 0.000 0.405 124 M N 2.427 122.076 119.600 0.081 0.000 2.721 124 M HA 0.422 4.902 4.480 0.000 0.000 0.271 124 M C -1.010 175.319 176.300 0.048 0.000 1.259 124 M CA -1.093 54.231 55.300 0.042 0.000 0.835 124 M CB 1.298 33.909 32.600 0.019 0.000 1.689 124 M HN 0.159 nan 8.290 nan 0.000 0.470 125 N N 1.665 120.384 118.700 0.031 0.000 2.406 125 N HA 0.114 4.854 4.740 0.000 0.000 0.265 125 N C -0.068 175.463 175.510 0.036 0.000 1.203 125 N CA 0.483 53.551 53.050 0.030 0.000 0.945 125 N CB 0.387 38.885 38.487 0.019 0.000 1.165 125 N HN 0.744 nan 8.380 nan 0.000 0.485 126 E N 2.041 122.275 120.200 0.057 0.000 2.442 126 E HA -0.081 4.269 4.350 0.000 0.000 0.195 126 E C 1.073 177.759 176.600 0.143 0.000 1.030 126 E CA -0.024 56.439 56.400 0.105 0.000 0.869 126 E CB 0.107 29.892 29.700 0.141 0.000 0.857 126 E HN 0.641 nan 8.360 nan 0.000 0.505 127 N N 1.463 120.213 118.700 0.083 0.000 2.120 127 N HA -0.098 4.642 4.740 0.000 0.000 0.188 127 N C -0.949 174.600 175.510 0.064 0.000 1.024 127 N CA 1.080 54.177 53.050 0.078 0.000 0.852 127 N CB -0.360 38.138 38.487 0.019 0.000 1.003 127 N HN 0.072 nan 8.380 nan 0.000 0.424 128 P HA -0.022 nan 4.420 nan 0.000 0.222 128 P C 1.397 178.661 177.300 -0.060 0.000 1.147 128 P CA 0.726 63.820 63.100 -0.010 0.000 0.790 128 P CB -0.064 31.627 31.700 -0.015 0.000 0.780 129 I N -2.315 118.178 120.570 -0.128 0.000 2.286 129 I HA -0.238 3.932 4.170 0.000 0.000 0.248 129 I C 1.432 177.224 176.117 -0.542 0.000 1.115 129 I CA 1.658 62.725 61.300 -0.387 0.000 1.392 129 I CB -0.562 37.065 38.000 -0.621 0.000 1.065 129 I HN -0.017 nan 8.210 nan 0.000 0.418 130 Y N -0.134 120.158 120.300 -0.013 0.000 2.458 130 Y HA 0.375 4.925 4.550 0.000 0.000 0.256 130 Y C 2.227 178.096 175.900 -0.053 0.000 1.159 130 Y CA 0.188 58.265 58.100 -0.037 0.000 1.261 130 Y CB -0.340 38.084 38.460 -0.060 0.000 1.119 130 Y HN -0.005 nan 8.280 nan 0.000 0.524 131 A N 0.293 123.138 122.820 0.042 0.000 1.940 131 A HA -0.261 4.059 4.320 0.000 0.000 0.219 131 A C 1.817 179.407 177.584 0.010 0.000 1.176 131 A CA 2.346 54.396 52.037 0.021 0.000 0.631 131 A CB -0.576 18.430 19.000 0.009 0.000 0.814 131 A HN 0.456 nan 8.150 nan 0.000 0.446 132 D N -1.278 119.131 120.400 0.016 0.000 2.137 132 D HA -0.080 4.560 4.640 0.000 0.000 0.202 132 D C 1.687 177.956 176.300 -0.052 0.000 0.970 132 D CA 1.226 55.244 54.000 0.030 0.000 0.837 132 D CB -0.010 40.858 40.800 0.113 0.000 0.981 132 D HN 0.097 nan 8.370 nan 0.000 0.475 133 V N -0.242 119.568 119.914 -0.174 0.000 2.719 133 V HA 0.272 4.392 4.120 0.000 0.000 0.252 133 V C 0.725 176.663 176.094 -0.261 0.000 1.065 133 V CA 0.957 62.960 62.300 -0.495 0.000 1.086 133 V CB -0.291 31.020 31.823 -0.852 0.000 0.700 133 V HN 0.312 nan 8.190 nan 0.000 0.467 134 A N -0.156 122.597 122.820 -0.111 0.000 2.301 134 A HA 0.367 4.687 4.320 0.000 0.000 0.312 134 A C 0.791 178.369 177.584 -0.009 0.000 1.182 134 A CA 0.228 52.233 52.037 -0.053 0.000 0.826 134 A CB 0.920 19.910 19.000 -0.015 0.000 1.134 134 A HN 0.464 nan 8.150 nan 0.000 0.501 135 D N 0.212 120.628 120.400 0.026 0.000 2.183 135 D HA -0.076 4.564 4.640 0.000 0.000 0.203 135 D C -0.165 176.241 176.300 0.177 0.000 0.969 135 D CA 1.475 55.529 54.000 0.089 0.000 0.842 135 D CB 0.027 40.906 40.800 0.131 0.000 0.957 135 D HN 0.486 nan 8.370 nan 0.000 0.484 136 Y N -0.048 120.250 120.300 -0.004 0.000 2.421 136 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 136 Y C -1.679 174.202 175.900 -0.031 0.000 0.996 136 Y CA -1.468 56.627 58.100 -0.009 0.000 1.046 136 Y CB 1.427 39.876 38.460 -0.019 0.000 1.226 136 Y HN -0.182 nan 8.280 nan 0.000 0.445 137 N N 4.982 123.421 118.700 -0.434 0.000 2.664 137 N HA 0.502 5.242 4.740 0.000 0.000 0.268 137 N C -2.290 172.997 175.510 -0.372 0.000 1.222 137 N CA -0.341 52.526 53.050 -0.305 0.000 0.805 137 N CB 1.131 39.557 38.487 -0.102 0.000 1.399 137 N HN 0.548 nan 8.380 nan 0.000 0.547 138 V N -0.155 119.506 119.914 -0.421 0.000 3.007 138 V HA 0.737 4.857 4.120 0.000 0.000 0.311 138 V C -0.245 175.735 176.094 -0.189 0.000 1.120 138 V CA -0.658 61.451 62.300 -0.318 0.000 0.980 138 V CB 1.693 33.267 31.823 -0.415 0.000 1.033 138 V HN 0.368 nan 8.190 nan 0.000 0.429 139 T N 3.540 118.024 114.554 -0.117 0.000 2.749 139 T HA 0.721 5.072 4.350 0.000 0.000 0.287 139 T C 0.368 175.030 174.700 -0.064 0.000 0.970 139 T CA 0.358 62.410 62.100 -0.081 0.000 0.980 139 T CB 1.075 69.915 68.868 -0.046 0.000 0.924 139 T HN 1.406 nan 8.240 nan 0.000 0.456 140 A N 2.535 125.316 122.820 -0.065 0.000 2.462 140 A HA 0.453 4.773 4.320 0.000 0.000 0.243 140 A C 1.194 178.761 177.584 -0.028 0.000 1.076 140 A CA -0.423 51.590 52.037 -0.041 0.000 0.773 140 A CB 0.081 19.050 19.000 -0.052 0.000 1.010 140 A HN 1.056 nan 8.150 nan 0.000 0.493 141 V N -0.376 119.532 119.914 -0.010 0.000 3.337 141 V HA 0.389 4.509 4.120 0.000 0.000 0.307 141 V C 0.005 176.103 176.094 0.007 0.000 1.505 141 V CA 0.086 62.386 62.300 -0.001 0.000 1.072 141 V CB -0.806 31.019 31.823 0.005 0.000 0.929 141 V HN 0.828 nan 8.190 nan 0.000 0.455 142 N N 0.018 118.722 118.700 0.006 0.000 2.324 142 N HA 0.589 5.329 4.740 0.000 0.000 0.285 142 N C 0.626 176.141 175.510 0.007 0.000 1.076 142 N CA 0.442 53.500 53.050 0.013 0.000 0.864 142 N CB 2.600 41.100 38.487 0.022 0.000 1.632 142 N HN 0.094 nan 8.380 nan 0.000 0.478 143 A N 2.749 125.575 122.820 0.009 0.000 1.898 143 A HA 0.123 4.444 4.320 0.000 0.000 0.214 143 A C 1.977 179.568 177.584 0.010 0.000 1.183 143 A CA 1.739 53.775 52.037 -0.001 0.000 0.622 143 A CB -0.729 18.274 19.000 0.006 0.000 0.824 143 A HN 0.749 nan 8.150 nan 0.000 0.444 144 A N -0.156 122.683 122.820 0.031 0.000 1.972 144 A HA -0.078 4.242 4.320 0.000 0.000 0.219 144 A C 2.245 179.870 177.584 0.070 0.000 1.169 144 A CA 2.289 54.359 52.037 0.055 0.000 0.635 144 A CB -1.083 17.952 19.000 0.059 0.000 0.810 144 A HN 0.764 nan 8.150 nan 0.000 0.446 145 T N -3.110 111.479 114.554 0.058 0.000 3.107 145 T HA 0.152 4.502 4.350 0.000 0.000 0.249 145 T C 1.506 176.260 174.700 0.090 0.000 1.096 145 T CA 0.658 62.809 62.100 0.084 0.000 1.012 145 T CB -0.145 68.766 68.868 0.072 0.000 0.977 145 T HN 0.132 nan 8.240 nan 0.000 0.527 146 L N 2.485 123.728 121.223 0.033 0.000 2.012 146 L HA 0.151 4.491 4.340 0.000 0.000 0.210 146 L C -0.911 175.944 176.870 -0.025 0.000 1.073 146 L CA 1.794 56.628 54.840 -0.010 0.000 0.748 146 L CB -1.172 40.852 42.059 -0.059 0.000 0.891 146 L HN 0.113 nan 8.230 nan 0.000 0.431 147 P HA -0.213 nan 4.420 nan 0.000 0.215 147 P C 1.531 178.836 177.300 0.009 0.000 1.153 147 P CA 1.649 64.724 63.100 -0.043 0.000 0.853 147 P CB -0.337 31.346 31.700 -0.028 0.000 0.788 148 H N -0.098 118.957 119.070 -0.026 0.000 2.353 148 H HA -0.085 4.471 4.556 0.000 0.000 0.300 148 H C 1.651 176.962 175.328 -0.028 0.000 1.090 148 H CA 1.465 57.477 56.048 -0.060 0.000 1.327 148 H CB -0.417 29.323 29.762 -0.037 0.000 1.383 148 H HN -0.118 nan 8.280 nan 0.000 0.508 149 V N 1.688 121.600 119.914 -0.003 0.000 2.343 149 V HA -0.254 3.867 4.120 0.000 0.000 0.247 149 V C 2.850 178.905 176.094 -0.065 0.000 1.051 149 V CA 1.363 63.663 62.300 0.001 0.000 1.036 149 V CB -0.479 31.391 31.823 0.078 0.000 0.654 149 V HN 0.375 nan 8.190 nan 0.000 0.451 150 I N 0.469 120.985 120.570 -0.091 0.000 2.226 150 I HA -0.219 3.951 4.170 0.000 0.000 0.245 150 I C 2.365 178.371 176.117 -0.185 0.000 1.100 150 I CA 2.092 63.319 61.300 -0.122 0.000 1.374 150 I CB -1.269 36.659 38.000 -0.120 0.000 1.057 150 I HN 0.427 nan 8.210 nan 0.000 0.413 151 D N 0.758 121.056 120.400 -0.170 0.000 2.123 151 D HA -0.269 4.371 4.640 0.000 0.000 0.196 151 D C 2.108 178.244 176.300 -0.273 0.000 0.992 151 D CA 1.419 55.339 54.000 -0.135 0.000 0.833 151 D CB 0.173 40.935 40.800 -0.064 0.000 0.954 151 D HN 0.233 nan 8.370 nan 0.000 0.455 152 E N -0.059 119.894 120.200 -0.413 0.000 2.077 152 E HA -0.117 4.233 4.350 0.000 0.000 0.193 152 E C 1.883 178.159 176.600 -0.540 0.000 0.989 152 E CA 1.462 57.575 56.400 -0.478 0.000 0.800 152 E CB -0.547 28.832 29.700 -0.534 0.000 0.746 152 E HN 0.307 nan 8.360 nan 0.000 0.452 153 A N 0.587 123.162 122.820 -0.408 0.000 1.883 153 A HA -0.183 4.137 4.320 0.000 0.000 0.217 153 A C 2.365 179.736 177.584 -0.355 0.000 1.186 153 A CA 1.764 53.631 52.037 -0.282 0.000 0.624 153 A CB -0.818 18.176 19.000 -0.010 0.000 0.822 153 A HN 0.371 nan 8.150 nan 0.000 0.444 154 I N -1.216 119.083 120.570 -0.452 0.000 2.179 154 I HA -0.252 3.919 4.170 0.000 0.000 0.242 154 I C 2.728 178.481 176.117 -0.606 0.000 1.088 154 I CA 1.804 62.711 61.300 -0.656 0.000 1.357 154 I CB -0.317 37.039 38.000 -1.073 0.000 1.051 154 I HN 0.366 nan 8.210 nan 0.000 0.409 155 R N 1.025 121.215 120.500 -0.517 0.000 2.096 155 R HA -0.134 4.206 4.340 0.000 0.000 0.235 155 R C 2.460 178.627 176.300 -0.222 0.000 1.127 155 R CA 1.344 57.302 56.100 -0.238 0.000 0.968 155 R CB -0.057 30.210 30.300 -0.054 0.000 0.861 155 R HN 0.259 nan 8.270 nan 0.000 0.440 156 R N -0.320 119.966 120.500 -0.356 0.000 2.073 156 R HA -0.013 4.327 4.340 0.000 0.000 0.229 156 R C 2.348 178.442 176.300 -0.345 0.000 1.120 156 R CA 1.157 56.984 56.100 -0.454 0.000 0.967 156 R CB -0.290 29.748 30.300 -0.437 0.000 0.862 156 R HN 0.246 nan 8.270 nan 0.000 0.436 157 A N 0.538 123.201 122.820 -0.263 0.000 1.908 157 A HA -0.208 4.112 4.320 0.000 0.000 0.218 157 A C 1.806 179.286 177.584 -0.173 0.000 1.181 157 A CA 1.310 53.218 52.037 -0.215 0.000 0.627 157 A CB -0.672 18.141 19.000 -0.312 0.000 0.818 157 A HN 0.274 nan 8.150 nan 0.000 0.445 158 Y N -0.257 119.933 120.300 -0.183 0.000 2.133 158 Y HA -0.071 4.479 4.550 0.000 0.000 0.287 158 Y C 2.993 178.880 175.900 -0.021 0.000 1.134 158 Y CA 0.891 58.952 58.100 -0.066 0.000 1.133 158 Y CB -0.824 37.628 38.460 -0.014 0.000 0.987 158 Y HN 0.316 nan 8.280 nan 0.000 0.502 159 A N -0.823 122.027 122.820 0.050 0.000 1.933 159 A HA -0.216 4.104 4.320 0.000 0.000 0.218 159 A C 1.481 179.089 177.584 0.040 0.000 1.175 159 A CA 2.099 54.109 52.037 -0.044 0.000 0.628 159 A CB -0.985 17.857 19.000 -0.263 0.000 0.814 159 A HN 0.717 nan 8.150 nan 0.000 0.444 160 H N -1.735 117.367 119.070 0.053 0.000 2.652 160 H HA 0.166 4.722 4.556 0.000 0.000 0.274 160 H C -0.317 175.033 175.328 0.036 0.000 1.021 160 H CA -0.221 55.847 56.048 0.032 0.000 1.187 160 H CB 0.394 30.164 29.762 0.013 0.000 1.505 160 H HN 0.309 nan 8.280 nan 0.000 0.530 161 Q N 0.712 120.591 119.800 0.133 0.000 2.447 161 Q HA -0.147 4.193 4.340 0.000 0.000 0.348 161 Q C 0.259 176.310 176.000 0.086 0.000 1.421 161 Q CA 1.045 56.915 55.803 0.112 0.000 0.978 161 Q CB -1.480 27.351 28.738 0.154 0.000 1.191 161 Q HN 0.835 nan 8.270 nan 0.000 0.371 162 G N -2.080 106.736 108.800 0.025 0.000 2.578 162 G HA2 0.541 4.501 3.960 0.000 0.000 0.302 162 G HA3 0.541 4.501 3.960 0.000 0.000 0.302 162 G C -1.142 173.722 174.900 -0.060 0.000 1.243 162 G CA -0.232 44.864 45.100 -0.006 0.000 0.843 162 G HN 0.108 nan 8.290 nan 0.000 0.486 163 V N 0.970 120.844 119.914 -0.067 0.000 2.439 163 V HA 0.663 4.783 4.120 0.000 0.000 0.282 163 V C 0.479 176.544 176.094 -0.048 0.000 1.039 163 V CA -0.098 62.148 62.300 -0.089 0.000 0.913 163 V CB 0.867 32.615 31.823 -0.124 0.000 0.983 163 V HN 1.197 nan 8.190 nan 0.000 0.460 164 A N 5.036 127.821 122.820 -0.059 0.000 2.331 164 A HA 0.842 5.162 4.320 0.000 0.000 0.320 164 A C -0.828 176.725 177.584 -0.051 0.000 1.138 164 A CA -0.509 51.535 52.037 0.012 0.000 0.790 164 A CB 1.434 20.449 19.000 0.025 0.000 1.206 164 A HN 0.648 nan 8.150 nan 0.000 0.470 165 V N 2.855 122.723 119.914 -0.077 0.000 2.540 165 V HA 0.542 4.662 4.120 0.000 0.000 0.302 165 V C -0.543 175.429 176.094 -0.203 0.000 1.035 165 V CA -0.522 61.664 62.300 -0.189 0.000 0.873 165 V CB 1.654 33.312 31.823 -0.275 0.000 0.992 165 V HN 0.647 nan 8.190 nan 0.000 0.428 166 V N 4.500 124.293 119.914 -0.202 0.000 2.443 166 V HA 0.416 4.536 4.120 0.000 0.000 0.293 166 V C -0.495 175.479 176.094 -0.199 0.000 1.021 166 V CA -0.770 61.421 62.300 -0.181 0.000 0.848 166 V CB 1.727 33.479 31.823 -0.119 0.000 0.998 166 V HN 0.950 nan 8.190 nan 0.000 0.424 167 Q N 4.495 124.185 119.800 -0.183 0.000 2.279 167 Q HA 0.612 4.952 4.340 0.000 0.000 0.256 167 Q C -0.703 175.217 176.000 -0.134 0.000 0.937 167 Q CA 0.244 55.953 55.803 -0.158 0.000 0.933 167 Q CB 1.548 30.221 28.738 -0.108 0.000 1.189 167 Q HN 0.687 nan 8.270 nan 0.000 0.417 168 I N 4.703 125.181 120.570 -0.152 0.000 2.390 168 I HA 0.325 4.495 4.170 0.000 0.000 0.283 168 I C -2.292 173.733 176.117 -0.154 0.000 1.016 168 I CA -2.588 58.620 61.300 -0.153 0.000 1.151 168 I CB 1.567 39.452 38.000 -0.190 0.000 1.293 168 I HN 0.329 nan 8.210 nan 0.000 0.458 169 P HA -0.048 nan 4.420 nan 0.000 0.264 169 P C 0.914 178.151 177.300 -0.106 0.000 1.193 169 P CA 0.150 63.203 63.100 -0.080 0.000 0.763 169 P CB 1.089 32.773 31.700 -0.026 0.000 0.810 170 V N 3.557 123.403 119.914 -0.114 0.000 2.720 170 V HA -0.204 3.916 4.120 0.000 0.000 0.256 170 V C 1.553 177.584 176.094 -0.106 0.000 1.082 170 V CA 2.362 64.556 62.300 -0.177 0.000 1.101 170 V CB -0.880 30.854 31.823 -0.147 0.000 0.693 170 V HN 0.613 nan 8.190 nan 0.000 0.479 171 D N -0.428 119.993 120.400 0.035 0.000 2.219 171 D HA -0.194 4.446 4.640 0.000 0.000 0.205 171 D C 1.992 178.333 176.300 0.068 0.000 0.970 171 D CA 1.267 55.347 54.000 0.133 0.000 0.851 171 D CB -0.492 40.387 40.800 0.131 0.000 0.943 171 D HN 0.502 nan 8.370 nan 0.000 0.488 172 L N 0.354 121.564 121.223 -0.022 0.000 2.017 172 L HA -0.067 4.273 4.340 0.000 0.000 0.208 172 L C -0.326 176.502 176.870 -0.069 0.000 1.073 172 L CA 1.238 56.057 54.840 -0.034 0.000 0.745 172 L CB -1.811 40.214 42.059 -0.057 0.000 0.894 172 L HN 0.076 nan 8.230 nan 0.000 0.432 173 P HA -0.149 nan 4.420 nan 0.000 0.230 173 P C 0.970 178.168 177.300 -0.171 0.000 1.158 173 P CA 1.041 63.994 63.100 -0.245 0.000 0.769 173 P CB -0.036 31.416 31.700 -0.413 0.000 0.807 174 W N -0.147 121.116 121.300 -0.062 0.000 3.290 174 W HA 0.226 4.886 4.660 0.000 0.000 0.287 174 W C 0.392 176.890 176.519 -0.035 0.000 1.288 174 W CA 0.096 57.412 57.345 -0.048 0.000 1.725 174 W CB -0.529 28.908 29.460 -0.037 0.000 1.103 174 W HN 0.111 nan 8.180 nan 0.000 0.670 175 Q N 1.225 121.117 119.800 0.154 0.000 2.288 175 Q HA 0.107 4.447 4.340 0.000 0.000 0.254 175 Q C 0.464 176.501 176.000 0.063 0.000 0.932 175 Q CA -0.154 55.706 55.803 0.093 0.000 0.902 175 Q CB 1.077 29.852 28.738 0.063 0.000 1.203 175 Q HN -0.156 nan 8.270 nan 0.000 0.415 176 Q N 2.455 122.290 119.800 0.057 0.000 2.332 176 Q HA 0.313 4.653 4.340 0.000 0.000 0.263 176 Q C -0.097 175.930 176.000 0.046 0.000 0.979 176 Q CA 0.242 56.073 55.803 0.047 0.000 0.885 176 Q CB 0.667 29.431 28.738 0.045 0.000 1.218 176 Q HN 0.600 nan 8.270 nan 0.000 0.405 177 I N -1.683 118.918 120.570 0.051 0.000 2.934 177 I HA 0.619 4.789 4.170 0.000 0.000 0.306 177 I C -2.722 173.455 176.117 0.099 0.000 1.110 177 I CA -3.214 58.128 61.300 0.069 0.000 1.019 177 I CB 2.448 40.488 38.000 0.067 0.000 1.227 177 I HN 0.204 nan 8.210 nan 0.000 0.434 178 P HA 0.120 nan 4.420 nan 0.000 0.268 178 P C 0.271 177.676 177.300 0.176 0.000 1.204 178 P CA 0.010 63.177 63.100 0.113 0.000 0.768 178 P CB 1.186 32.940 31.700 0.091 0.000 0.842 179 A N 4.204 127.119 122.820 0.157 0.000 2.015 179 A HA -0.151 4.170 4.320 0.000 0.000 0.219 179 A C 1.629 179.306 177.584 0.156 0.000 1.163 179 A CA 1.242 53.411 52.037 0.220 0.000 0.646 179 A CB -0.682 18.410 19.000 0.153 0.000 0.806 179 A HN 0.630 nan 8.150 nan 0.000 0.448 180 E N -0.380 119.858 120.200 0.064 0.000 2.472 180 E HA -0.042 4.308 4.350 0.000 0.000 0.196 180 E C 0.040 176.603 176.600 -0.061 0.000 1.033 180 E CA 0.628 57.006 56.400 -0.036 0.000 0.886 180 E CB -0.193 29.495 29.700 -0.020 0.000 0.944 180 E HN 0.458 nan 8.360 nan 0.000 0.492 181 D N 1.153 121.574 120.400 0.035 0.000 2.197 181 D HA -0.029 4.611 4.640 0.000 0.000 0.212 181 D C 1.012 177.389 176.300 0.128 0.000 0.963 181 D CA 0.377 54.425 54.000 0.080 0.000 0.864 181 D CB -0.552 40.324 40.800 0.127 0.000 1.009 181 D HN 0.362 nan 8.370 nan 0.000 0.479 182 W N 2.273 123.641 121.300 0.114 0.000 2.137 182 W HA 0.299 4.959 4.660 -0.000 0.000 0.344 182 W C -0.503 176.141 176.519 0.208 0.000 1.286 182 W CA -0.557 56.858 57.345 0.117 0.000 1.240 182 W CB -0.414 29.076 29.460 0.050 0.000 1.141 182 W HN 0.011 nan 8.180 nan 0.000 0.579 183 Y N -0.209 120.194 120.300 0.171 0.000 2.670 183 Y HA 0.763 5.313 4.550 0.000 0.000 0.334 183 Y C -1.460 174.609 175.900 0.281 0.000 1.185 183 Y CA -1.787 56.284 58.100 -0.049 0.000 1.053 183 Y CB 0.444 38.832 38.460 -0.121 0.000 1.298 183 Y HN 0.732 nan 8.280 nan 0.000 0.459 184 A N 0.603 123.577 122.820 0.256 0.000 2.340 184 A HA 0.594 4.914 4.320 0.000 0.000 0.331 184 A C 0.141 177.853 177.584 0.214 0.000 1.140 184 A CA -0.337 51.821 52.037 0.201 0.000 0.801 184 A CB 0.897 20.016 19.000 0.199 0.000 1.234 184 A HN 1.273 nan 8.150 nan 0.000 0.469 185 S N 0.710 116.525 115.700 0.192 0.000 2.582 185 S HA 0.321 4.791 4.470 0.000 0.000 0.234 185 S C 1.333 175.769 174.600 -0.273 0.000 0.961 185 S CA 0.507 58.801 58.200 0.156 0.000 0.953 185 S CB 0.073 63.471 63.200 0.331 0.000 0.800 185 S HN 1.279 nan 8.310 nan 0.000 0.471 186 A N 4.092 126.340 122.820 -0.953 0.000 1.978 186 A HA -0.227 4.093 4.320 0.000 0.000 0.220 186 A C 2.251 179.443 177.584 -0.653 0.000 1.170 186 A CA 1.757 52.811 52.037 -1.639 0.000 0.636 186 A CB -0.912 17.113 19.000 -1.625 0.000 0.810 186 A HN 0.817 nan 8.150 nan 0.000 0.448 187 N N 0.108 118.591 118.700 -0.361 0.000 2.364 187 N HA -0.102 4.638 4.740 0.000 0.000 0.183 187 N C 1.262 176.701 175.510 -0.119 0.000 1.022 187 N CA 1.732 54.669 53.050 -0.188 0.000 0.883 187 N CB -0.586 37.824 38.487 -0.128 0.000 0.965 187 N HN 0.340 nan 8.380 nan 0.000 0.438 188 S N -0.652 114.990 115.700 -0.096 0.000 2.496 188 S HA -0.019 4.451 4.470 0.000 0.000 0.224 188 S C 0.267 174.856 174.600 -0.019 0.000 0.996 188 S CA -0.458 57.722 58.200 -0.035 0.000 0.927 188 S CB -0.419 62.792 63.200 0.018 0.000 0.774 188 S HN 0.491 nan 8.310 nan 0.000 0.524 189 Y N 4.490 124.699 120.300 -0.152 0.000 2.620 189 Y HA 0.211 4.761 4.550 0.000 0.000 0.330 189 Y C 0.308 176.152 175.900 -0.095 0.000 1.186 189 Y CA 0.076 58.114 58.100 -0.104 0.000 1.467 189 Y CB 0.163 38.534 38.460 -0.149 0.000 1.262 189 Y HN 0.247 nan 8.280 nan 0.000 0.550 190 Q N 2.757 122.095 119.800 -0.771 0.000 2.575 190 Q HA 0.471 4.811 4.340 0.000 0.000 0.290 190 Q C -1.601 174.033 176.000 -0.609 0.000 0.963 190 Q CA -1.050 54.439 55.803 -0.523 0.000 0.783 190 Q CB 1.543 30.137 28.738 -0.241 0.000 1.467 190 Q HN 0.617 nan 8.270 nan 0.000 0.402 191 T N -0.830 113.530 114.554 -0.324 0.000 2.902 191 T HA 0.677 5.027 4.350 0.000 0.000 0.283 191 T C -2.064 172.557 174.700 -0.131 0.000 1.009 191 T CA -1.327 60.647 62.100 -0.210 0.000 1.051 191 T CB 0.943 69.750 68.868 -0.102 0.000 0.999 191 T HN 0.548 nan 8.240 nan 0.000 0.474 192 P HA 0.360 nan 4.420 nan 0.000 0.275 192 P C -1.108 176.165 177.300 -0.045 0.000 1.228 192 P CA -0.727 62.334 63.100 -0.065 0.000 0.786 192 P CB 0.494 32.165 31.700 -0.048 0.000 0.927 193 L N 2.751 123.951 121.223 -0.038 0.000 2.260 193 L HA 0.307 4.647 4.340 0.000 0.000 0.289 193 L C 0.528 177.385 176.870 -0.021 0.000 1.057 193 L CA 0.010 54.834 54.840 -0.028 0.000 0.811 193 L CB -0.021 42.022 42.059 -0.027 0.000 1.184 193 L HN 0.290 nan 8.230 nan 0.000 0.429 194 L N 5.213 126.426 121.223 -0.016 0.000 2.360 194 L HA 0.560 4.901 4.340 0.000 0.000 0.271 194 L C -1.539 175.324 176.870 -0.011 0.000 1.057 194 L CA -1.788 53.044 54.840 -0.012 0.000 0.803 194 L CB 1.013 43.066 42.059 -0.009 0.000 1.207 194 L HN 0.500 nan 8.230 nan 0.000 0.445 195 P HA 0.139 nan 4.420 nan 0.000 0.274 195 P C -0.763 176.532 177.300 -0.008 0.000 1.256 195 P CA -0.564 62.531 63.100 -0.008 0.000 0.795 195 P CB 0.616 32.312 31.700 -0.006 0.000 1.038 196 E N 0.691 120.886 120.200 -0.008 0.000 2.404 196 E HA 0.202 4.552 4.350 0.000 0.000 0.261 196 E C -1.905 174.691 176.600 -0.007 0.000 1.074 196 E CA -1.735 54.660 56.400 -0.008 0.000 0.917 196 E CB -1.023 28.672 29.700 -0.009 0.000 0.965 196 E HN 0.328 nan 8.360 nan 0.000 0.433 197 P HA -0.102 nan 4.420 nan 0.000 0.264 197 P C -0.095 177.201 177.300 -0.006 0.000 1.183 197 P CA 0.255 63.352 63.100 -0.006 0.000 0.763 197 P CB 0.356 32.052 31.700 -0.007 0.000 0.807 198 D N 2.887 123.285 120.400 -0.004 0.000 2.455 198 D HA -0.075 4.565 4.640 0.000 0.000 0.265 198 D C 1.178 177.474 176.300 -0.006 0.000 1.284 198 D CA 0.169 54.167 54.000 -0.004 0.000 0.944 198 D CB 0.767 41.567 40.800 -0.001 0.000 1.121 198 D HN -0.010 nan 8.370 nan 0.000 0.525 199 V N 4.746 124.656 119.914 -0.007 0.000 2.287 199 V HA -0.285 3.835 4.120 0.000 0.000 0.248 199 V C 2.494 178.582 176.094 -0.010 0.000 1.053 199 V CA 1.723 64.018 62.300 -0.009 0.000 1.027 199 V CB -0.405 31.413 31.823 -0.009 0.000 0.646 199 V HN 0.623 nan 8.190 nan 0.000 0.447 200 Q N -0.577 119.217 119.800 -0.009 0.000 2.172 200 Q HA -0.046 4.295 4.340 0.000 0.000 0.200 200 Q C 2.362 178.355 176.000 -0.013 0.000 0.964 200 Q CA 1.372 57.168 55.803 -0.011 0.000 0.855 200 Q CB -0.295 28.437 28.738 -0.010 0.000 0.918 200 Q HN 0.681 nan 8.270 nan 0.000 0.444 201 A N 0.369 123.183 122.820 -0.010 0.000 1.929 201 A HA -0.094 4.226 4.320 0.000 0.000 0.216 201 A C 2.288 179.864 177.584 -0.012 0.000 1.176 201 A CA 0.974 53.005 52.037 -0.010 0.000 0.628 201 A CB -0.475 18.523 19.000 -0.003 0.000 0.816 201 A HN 0.184 nan 8.150 nan 0.000 0.444 202 V N -0.265 119.642 119.914 -0.011 0.000 2.358 202 V HA -0.205 3.915 4.120 0.000 0.000 0.246 202 V C 2.732 178.816 176.094 -0.017 0.000 1.047 202 V CA 2.419 64.711 62.300 -0.013 0.000 1.035 202 V CB -1.190 30.626 31.823 -0.011 0.000 0.658 202 V HN 0.588 nan 8.190 nan 0.000 0.452 203 T N -0.475 114.068 114.554 -0.018 0.000 2.684 203 T HA -0.254 4.096 4.350 0.000 0.000 0.267 203 T C 2.068 176.752 174.700 -0.027 0.000 1.036 203 T CA 1.892 63.979 62.100 -0.021 0.000 1.148 203 T CB -0.244 68.613 68.868 -0.019 0.000 0.863 203 T HN 0.364 nan 8.240 nan 0.000 0.436 204 R N 0.365 120.848 120.500 -0.030 0.000 2.075 204 R HA 0.036 4.376 4.340 0.000 0.000 0.232 204 R C 2.519 178.788 176.300 -0.051 0.000 1.126 204 R CA 1.062 57.137 56.100 -0.042 0.000 0.963 204 R CB -0.495 29.781 30.300 -0.039 0.000 0.858 204 R HN 0.371 nan 8.270 nan 0.000 0.435 205 L N 0.489 121.688 121.223 -0.039 0.000 2.042 205 L HA -0.200 4.140 4.340 0.000 0.000 0.210 205 L C 1.922 178.770 176.870 -0.036 0.000 1.076 205 L CA 1.975 56.792 54.840 -0.038 0.000 0.749 205 L CB -0.396 41.650 42.059 -0.023 0.000 0.893 205 L HN 0.241 nan 8.230 nan 0.000 0.432 206 T N -0.712 113.825 114.554 -0.029 0.000 2.684 206 T HA -0.258 4.092 4.350 0.000 0.000 0.267 206 T C 1.809 176.491 174.700 -0.030 0.000 1.036 206 T CA 1.531 63.617 62.100 -0.024 0.000 1.148 206 T CB -0.282 68.573 68.868 -0.021 0.000 0.863 206 T HN 0.408 nan 8.240 nan 0.000 0.436 207 Q N 0.748 120.524 119.800 -0.039 0.000 2.096 207 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 207 Q C 2.298 178.263 176.000 -0.058 0.000 0.982 207 Q CA 1.809 57.585 55.803 -0.045 0.000 0.850 207 Q CB -0.698 28.009 28.738 -0.051 0.000 0.901 207 Q HN 0.492 nan 8.270 nan 0.000 0.422 208 T N 1.862 116.365 114.554 -0.085 0.000 2.777 208 T HA -0.142 4.208 4.350 0.000 0.000 0.266 208 T C 1.846 176.520 174.700 -0.044 0.000 1.040 208 T CA 1.145 63.172 62.100 -0.121 0.000 1.141 208 T CB -0.295 68.454 68.868 -0.200 0.000 0.868 208 T HN 0.198 nan 8.240 nan 0.000 0.444 209 L N 0.697 121.906 121.223 -0.023 0.000 2.017 209 L HA 0.033 4.373 4.340 0.000 0.000 0.208 209 L C 1.975 178.851 176.870 0.010 0.000 1.073 209 L CA 1.608 56.452 54.840 0.007 0.000 0.745 209 L CB -0.674 41.391 42.059 0.009 0.000 0.894 209 L HN 0.130 nan 8.230 nan 0.000 0.432 210 L N -0.374 120.847 121.223 -0.004 0.000 2.217 210 L HA 0.016 4.356 4.340 0.000 0.000 0.211 210 L C 2.488 179.357 176.870 -0.002 0.000 1.107 210 L CA 1.524 56.362 54.840 -0.004 0.000 0.783 210 L CB -1.172 40.880 42.059 -0.012 0.000 0.919 210 L HN 0.323 nan 8.230 nan 0.000 0.442 211 A N -0.531 122.286 122.820 -0.004 0.000 2.168 211 A HA 0.295 4.615 4.320 0.000 0.000 0.215 211 A C 1.446 179.041 177.584 0.017 0.000 1.152 211 A CA 0.599 52.638 52.037 0.004 0.000 0.716 211 A CB -0.714 18.284 19.000 -0.003 0.000 0.794 211 A HN 0.261 nan 8.150 nan 0.000 0.465 212 A N 0.025 122.855 122.820 0.018 0.000 2.445 212 A HA 0.346 4.666 4.320 0.000 0.000 0.242 212 A C 0.780 178.330 177.584 -0.057 0.000 1.075 212 A CA 0.127 52.163 52.037 -0.003 0.000 0.777 212 A CB 0.164 19.162 19.000 -0.004 0.000 1.013 212 A HN 0.523 nan 8.150 nan 0.000 0.493 213 E N 0.732 120.864 120.200 -0.113 0.000 2.170 213 E HA -0.019 4.331 4.350 0.000 0.000 0.191 213 E C 0.233 176.598 176.600 -0.392 0.000 0.981 213 E CA 0.699 57.003 56.400 -0.161 0.000 0.830 213 E CB 0.144 29.763 29.700 -0.134 0.000 0.775 213 E HN 0.636 nan 8.360 nan 0.000 0.470 214 R N 1.201 121.324 120.500 -0.628 0.000 2.738 214 R HA 0.216 4.556 4.340 0.000 0.000 0.280 214 R C -2.628 173.183 176.300 -0.815 0.000 1.456 214 R CA -1.375 53.811 56.100 -1.523 0.000 1.612 214 R CB 1.223 30.545 30.300 -1.630 0.000 1.286 214 R HN 0.064 nan 8.270 nan 0.000 0.660 215 P HA 0.202 nan 4.420 nan 0.000 0.277 215 P C -0.540 176.964 177.300 0.339 0.000 1.240 215 P CA -0.107 63.038 63.100 0.075 0.000 0.798 215 P CB 1.466 33.234 31.700 0.113 0.000 0.979 216 L N 2.159 123.536 121.223 0.257 0.000 2.422 216 L HA 0.526 4.867 4.340 0.000 0.000 0.264 216 L C 0.050 177.058 176.870 0.230 0.000 0.984 216 L CA -0.977 54.033 54.840 0.283 0.000 0.819 216 L CB 2.245 44.456 42.059 0.253 0.000 1.330 216 L HN 0.236 nan 8.230 nan 0.000 0.410 217 I N 2.557 123.280 120.570 0.255 0.000 2.321 217 I HA 0.256 4.426 4.170 0.000 0.000 0.291 217 I C -1.263 175.074 176.117 0.367 0.000 0.998 217 I CA -0.520 60.946 61.300 0.276 0.000 1.227 217 I CB 1.242 39.400 38.000 0.264 0.000 1.368 217 I HN 0.405 nan 8.210 nan 0.000 0.466 218 Y N 9.486 129.891 120.300 0.176 0.000 2.555 218 Y HA 0.394 4.944 4.550 0.000 0.000 0.326 218 Y C -1.184 174.732 175.900 0.026 0.000 0.984 218 Y CA -1.802 56.354 58.100 0.092 0.000 1.298 218 Y CB 0.480 39.056 38.460 0.193 0.000 1.094 218 Y HN 0.463 nan 8.280 nan 0.000 0.500 219 Y N 2.767 123.200 120.300 0.221 0.000 2.528 219 Y HA 0.974 5.524 4.550 0.000 0.000 0.335 219 Y C 0.132 176.020 175.900 -0.020 0.000 1.093 219 Y CA -1.191 56.909 58.100 -0.001 0.000 1.134 219 Y CB 1.234 39.720 38.460 0.044 0.000 1.253 219 Y HN 0.555 nan 8.280 nan 0.000 0.478 220 G N 0.906 109.717 108.800 0.019 0.000 3.107 220 G HA2 0.373 4.333 3.960 0.000 0.000 0.232 220 G HA3 0.373 4.333 3.960 0.000 0.000 0.232 220 G C 0.333 175.314 174.900 0.135 0.000 1.339 220 G CA -0.726 44.391 45.100 0.027 0.000 1.033 220 G HN 1.117 nan 8.290 nan 0.000 0.567 221 I N -1.519 119.106 120.570 0.092 0.000 2.916 221 I HA 0.125 4.295 4.170 0.000 0.000 0.267 221 I C 1.974 178.136 176.117 0.076 0.000 1.263 221 I CA 1.039 62.393 61.300 0.090 0.000 1.471 221 I CB -0.251 37.784 38.000 0.058 0.000 1.089 221 I HN 0.404 nan 8.210 nan 0.000 0.468 222 G N 1.332 110.165 108.800 0.056 0.000 2.470 222 G HA2 -0.072 3.889 3.960 0.000 0.000 0.220 222 G HA3 -0.072 3.889 3.960 0.000 0.000 0.220 222 G C 1.413 176.330 174.900 0.028 0.000 1.121 222 G CA 0.566 45.686 45.100 0.033 0.000 0.766 222 G HN 0.611 nan 8.290 nan 0.000 0.553 223 A N -0.159 122.689 122.820 0.047 0.000 2.415 223 A HA 0.412 4.732 4.320 0.000 0.000 0.248 223 A C 1.960 179.540 177.584 -0.006 0.000 1.299 223 A CA -0.125 51.918 52.037 0.010 0.000 0.899 223 A CB -0.212 18.788 19.000 -0.000 0.000 0.997 223 A HN 0.292 nan 8.150 nan 0.000 0.506 224 R N 0.344 120.860 120.500 0.027 0.000 2.139 224 R HA -0.126 4.214 4.340 0.000 0.000 0.243 224 R C 1.134 177.431 176.300 -0.004 0.000 1.145 224 R CA 1.573 57.686 56.100 0.022 0.000 0.976 224 R CB -0.078 30.244 30.300 0.036 0.000 0.866 224 R HN 0.441 nan 8.270 nan 0.000 0.449 225 K N -0.888 119.507 120.400 -0.009 0.000 2.444 225 K HA 0.114 4.434 4.320 0.000 0.000 0.193 225 K C 0.725 177.300 176.600 -0.042 0.000 1.024 225 K CA 0.361 56.638 56.287 -0.017 0.000 1.077 225 K CB 0.913 33.410 32.500 -0.005 0.000 0.833 225 K HN 0.070 nan 8.250 nan 0.000 0.517 226 A N 0.399 123.176 122.820 -0.071 0.000 2.594 226 A HA 0.261 4.582 4.320 0.000 0.000 0.287 226 A C 1.648 179.137 177.584 -0.158 0.000 1.227 226 A CA -0.047 51.928 52.037 -0.103 0.000 0.952 226 A CB -0.026 18.910 19.000 -0.105 0.000 1.161 226 A HN 0.292 nan 8.150 nan 0.000 0.524 227 G N 0.927 109.638 108.800 -0.147 0.000 2.476 227 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 227 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 227 G C 1.556 176.354 174.900 -0.169 0.000 1.164 227 G CA 1.378 46.372 45.100 -0.177 0.000 0.768 227 G HN 0.551 nan 8.290 nan 0.000 0.560 228 K N 0.184 120.511 120.400 -0.121 0.000 2.032 228 K HA -0.120 4.200 4.320 0.000 0.000 0.209 228 K C 2.533 179.064 176.600 -0.115 0.000 1.048 228 K CA 1.719 57.942 56.287 -0.106 0.000 0.927 228 K CB -0.092 32.365 32.500 -0.072 0.000 0.712 228 K HN 0.269 nan 8.250 nan 0.000 0.441 229 E N 0.674 120.810 120.200 -0.107 0.000 2.072 229 E HA -0.144 4.206 4.350 0.000 0.000 0.191 229 E C 1.933 178.464 176.600 -0.115 0.000 0.985 229 E CA 1.093 57.436 56.400 -0.095 0.000 0.801 229 E CB -0.114 29.539 29.700 -0.079 0.000 0.750 229 E HN 0.237 nan 8.360 nan 0.000 0.452 230 L N 0.637 121.759 121.223 -0.169 0.000 1.990 230 L HA -0.259 4.081 4.340 0.000 0.000 0.213 230 L C 2.615 179.386 176.870 -0.166 0.000 1.072 230 L CA 1.748 56.471 54.840 -0.196 0.000 0.755 230 L CB -0.377 41.443 42.059 -0.399 0.000 0.889 230 L HN 0.194 nan 8.230 nan 0.000 0.432 231 E N -0.368 119.686 120.200 -0.243 0.000 2.077 231 E HA -0.291 4.059 4.350 0.000 0.000 0.193 231 E C 2.230 178.703 176.600 -0.211 0.000 0.989 231 E CA 1.254 57.431 56.400 -0.371 0.000 0.800 231 E CB 0.034 29.456 29.700 -0.463 0.000 0.746 231 E HN 0.421 nan 8.360 nan 0.000 0.452 232 Q N 0.214 119.934 119.800 -0.133 0.000 2.079 232 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 232 Q C 2.326 178.298 176.000 -0.047 0.000 0.974 232 Q CA 1.206 56.965 55.803 -0.072 0.000 0.840 232 Q CB -0.010 28.692 28.738 -0.062 0.000 0.898 232 Q HN 0.341 nan 8.270 nan 0.000 0.430 233 L N -0.118 121.078 121.223 -0.045 0.000 2.042 233 L HA -0.215 4.125 4.340 0.000 0.000 0.210 233 L C 2.692 179.564 176.870 0.002 0.000 1.076 233 L CA 1.355 56.181 54.840 -0.022 0.000 0.749 233 L CB -0.556 41.496 42.059 -0.012 0.000 0.893 233 L HN 0.269 nan 8.230 nan 0.000 0.432 234 S N -0.141 115.590 115.700 0.051 0.000 2.353 234 S HA -0.239 4.231 4.470 0.000 0.000 0.222 234 S C 2.033 176.686 174.600 0.090 0.000 1.035 234 S CA 1.636 59.940 58.200 0.173 0.000 1.025 234 S CB -0.037 63.373 63.200 0.352 0.000 0.902 234 S HN 0.312 nan 8.310 nan 0.000 0.440 235 K N -0.221 120.250 120.400 0.118 0.000 2.026 235 K HA -0.040 4.280 4.320 0.000 0.000 0.208 235 K C 2.349 178.863 176.600 -0.143 0.000 1.048 235 K CA 1.802 58.128 56.287 0.064 0.000 0.929 235 K CB -0.509 32.071 32.500 0.133 0.000 0.713 235 K HN 0.366 nan 8.250 nan 0.000 0.439 236 T N 1.520 116.014 114.554 -0.100 0.000 2.737 236 T HA -0.045 4.306 4.350 0.000 0.000 0.265 236 T C 1.692 176.289 174.700 -0.170 0.000 1.038 236 T CA 1.013 63.045 62.100 -0.113 0.000 1.144 236 T CB -0.022 68.806 68.868 -0.067 0.000 0.866 236 T HN 0.097 nan 8.240 nan 0.000 0.434 237 L N 0.096 121.219 121.223 -0.167 0.000 2.529 237 L HA 0.190 4.530 4.340 0.000 0.000 0.223 237 L C 0.232 176.940 176.870 -0.270 0.000 1.113 237 L CA 0.039 54.785 54.840 -0.157 0.000 0.861 237 L CB -0.046 41.973 42.059 -0.066 0.000 1.012 237 L HN 0.089 nan 8.230 nan 0.000 0.461 238 K N 0.837 120.899 120.400 -0.563 0.000 3.181 238 K HA -0.130 4.190 4.320 0.000 0.000 0.269 238 K C -0.611 175.851 176.600 -0.230 0.000 1.097 238 K CA 0.780 56.395 56.287 -1.120 0.000 0.783 238 K CB -2.335 29.564 32.500 -1.001 0.000 1.267 238 K HN 0.319 nan 8.250 nan 0.000 0.484 239 I N 1.263 121.858 120.570 0.042 0.000 2.389 239 I HA 0.231 4.401 4.170 0.000 0.000 0.288 239 I C -2.085 174.326 176.117 0.491 0.000 0.999 239 I CA -2.417 59.083 61.300 0.332 0.000 1.129 239 I CB 1.882 40.014 38.000 0.221 0.000 1.288 239 I HN -0.169 nan 8.210 nan 0.000 0.444 240 P HA 0.199 nan 4.420 nan 0.000 0.269 240 P C -0.893 176.581 177.300 0.289 0.000 1.215 240 P CA -0.129 63.145 63.100 0.290 0.000 0.780 240 P CB 0.613 32.308 31.700 -0.008 0.000 0.898 241 L N 2.735 124.142 121.223 0.306 0.000 2.325 241 L HA 0.629 4.969 4.340 0.000 0.000 0.278 241 L C 0.460 177.430 176.870 0.167 0.000 1.023 241 L CA -0.606 54.461 54.840 0.378 0.000 0.811 241 L CB 0.973 43.407 42.059 0.624 0.000 1.249 241 L HN 0.388 nan 8.230 nan 0.000 0.431 242 M N 1.370 121.019 119.600 0.082 0.000 2.593 242 M HA 0.799 5.279 4.480 0.000 0.000 0.290 242 M C -0.833 175.318 176.300 -0.248 0.000 1.244 242 M CA -0.514 54.665 55.300 -0.203 0.000 0.857 242 M CB 2.456 34.816 32.600 -0.400 0.000 1.738 242 M HN 0.490 nan 8.290 nan 0.000 0.461 243 S N -0.301 115.263 115.700 -0.226 0.000 2.661 243 S HA 0.763 5.233 4.470 0.000 0.000 0.285 243 S C -0.230 174.455 174.600 0.140 0.000 1.138 243 S CA -0.212 57.835 58.200 -0.256 0.000 0.855 243 S CB 1.584 64.546 63.200 -0.398 0.000 1.136 243 S HN 0.995 nan 8.310 nan 0.000 0.484 244 T N -0.149 114.491 114.554 0.143 0.000 2.856 244 T HA 0.177 4.527 4.350 0.000 0.000 0.306 244 T C 0.948 175.820 174.700 0.287 0.000 1.062 244 T CA -0.035 62.218 62.100 0.257 0.000 1.083 244 T CB -0.029 68.962 68.868 0.205 0.000 0.984 244 T HN 0.850 nan 8.240 nan 0.000 0.542 245 Y N 3.366 123.812 120.300 0.244 0.000 2.114 245 Y HA 0.029 4.579 4.550 0.000 0.000 0.282 245 Y C -1.096 174.966 175.900 0.270 0.000 1.165 245 Y CA 1.127 59.365 58.100 0.231 0.000 1.148 245 Y CB -1.981 36.611 38.460 0.219 0.000 0.972 245 Y HN 0.518 nan 8.280 nan 0.000 0.504 246 P HA -0.072 nan 4.420 nan 0.000 0.222 246 P C 1.057 178.328 177.300 -0.048 0.000 1.147 246 P CA 2.142 65.058 63.100 -0.306 0.000 0.790 246 P CB -0.322 31.245 31.700 -0.221 0.000 0.780 247 A N -0.879 121.998 122.820 0.094 0.000 2.238 247 A HA -0.039 4.282 4.320 0.000 0.000 0.208 247 A C 1.141 178.880 177.584 0.260 0.000 1.177 247 A CA -0.056 52.090 52.037 0.182 0.000 0.804 247 A CB -1.004 18.112 19.000 0.193 0.000 0.823 247 A HN 0.087 nan 8.150 nan 0.000 0.482 248 K N -0.053 120.522 120.400 0.291 0.000 2.524 248 K HA 0.214 4.534 4.320 0.000 0.000 0.279 248 K C 1.191 177.902 176.600 0.185 0.000 0.993 248 K CA 1.033 57.451 56.287 0.219 0.000 1.030 248 K CB -0.117 32.485 32.500 0.170 0.000 0.891 248 K HN 0.693 nan 8.250 nan 0.000 0.488 249 G N 3.761 112.563 108.800 0.004 0.000 2.258 249 G HA2 -0.282 3.678 3.960 0.000 0.000 0.233 249 G HA3 -0.282 3.678 3.960 0.000 0.000 0.233 249 G C 0.894 175.808 174.900 0.023 0.000 1.006 249 G CA 0.291 45.400 45.100 0.015 0.000 0.620 249 G HN 0.649 nan 8.290 nan 0.000 0.511 250 I N 0.619 121.230 120.570 0.067 0.000 2.226 250 I HA -0.036 4.134 4.170 0.000 0.000 0.245 250 I C 1.170 177.256 176.117 -0.052 0.000 1.100 250 I CA 1.302 62.623 61.300 0.035 0.000 1.374 250 I CB -0.173 37.886 38.000 0.097 0.000 1.057 250 I HN 0.119 nan 8.210 nan 0.000 0.413 251 V N 1.315 121.185 119.914 -0.073 0.000 2.483 251 V HA 0.490 4.610 4.120 0.000 0.000 0.295 251 V C 0.378 176.377 176.094 -0.157 0.000 1.035 251 V CA -1.197 61.025 62.300 -0.132 0.000 0.896 251 V CB 1.393 33.148 31.823 -0.112 0.000 0.986 251 V HN 0.242 nan 8.190 nan 0.000 0.447 252 A N 2.746 125.514 122.820 -0.086 0.000 2.540 252 A HA 0.066 4.386 4.320 0.000 0.000 0.239 252 A C 1.188 178.737 177.584 -0.059 0.000 1.061 252 A CA -0.022 51.986 52.037 -0.049 0.000 0.758 252 A CB -0.116 18.890 19.000 0.010 0.000 0.991 252 A HN 0.930 nan 8.150 nan 0.000 0.502 253 D N 1.619 121.973 120.400 -0.076 0.000 2.221 253 D HA -0.193 4.447 4.640 0.000 0.000 0.204 253 D C 2.009 178.370 176.300 0.102 0.000 0.982 253 D CA 1.751 55.745 54.000 -0.010 0.000 0.857 253 D CB -0.009 40.801 40.800 0.016 0.000 0.934 253 D HN 0.850 nan 8.370 nan 0.000 0.475 254 R N 0.166 120.712 120.500 0.077 0.000 2.235 254 R HA -0.129 4.211 4.340 0.000 0.000 0.213 254 R C 0.878 177.248 176.300 0.117 0.000 1.059 254 R CA -0.020 56.127 56.100 0.079 0.000 0.997 254 R CB -0.743 29.589 30.300 0.054 0.000 0.884 254 R HN 0.039 nan 8.270 nan 0.000 0.462 255 Y N 3.779 124.106 120.300 0.045 0.000 2.804 255 Y HA 0.059 4.610 4.550 0.000 0.000 0.338 255 Y C -1.705 174.240 175.900 0.076 0.000 1.252 255 Y CA -2.514 55.627 58.100 0.068 0.000 1.576 255 Y CB 0.932 39.444 38.460 0.086 0.000 1.223 255 Y HN -0.005 nan 8.280 nan 0.000 0.536 256 P HA -0.110 nan 4.420 nan 0.000 0.221 256 P C 0.231 177.156 177.300 -0.626 0.000 1.145 256 P CA 2.015 64.832 63.100 -0.471 0.000 0.795 256 P CB 0.256 31.715 31.700 -0.401 0.000 0.775 257 A N -2.494 119.723 122.820 -1.006 0.000 2.500 257 A HA 0.136 4.456 4.320 0.000 0.000 0.267 257 A C -0.096 177.418 177.584 -0.118 0.000 1.290 257 A CA -0.329 51.336 52.037 -0.620 0.000 0.928 257 A CB -0.966 17.689 19.000 -0.576 0.000 1.066 257 A HN 0.069 nan 8.150 nan 0.000 0.516 258 Y N 1.052 121.294 120.300 -0.096 0.000 2.436 258 Y HA 0.398 4.948 4.550 0.000 0.000 0.343 258 Y C 0.696 176.589 175.900 -0.012 0.000 1.008 258 Y CA -0.742 57.429 58.100 0.118 0.000 1.241 258 Y CB 0.470 39.073 38.460 0.240 0.000 1.153 258 Y HN 0.188 nan 8.280 nan 0.000 0.521 259 L N 5.649 126.528 121.223 -0.574 0.000 2.446 259 L HA 0.255 4.595 4.340 0.000 0.000 0.219 259 L C 1.393 177.851 176.870 -0.687 0.000 1.116 259 L CA 0.614 55.132 54.840 -0.537 0.000 0.844 259 L CB -0.799 41.011 42.059 -0.416 0.000 0.970 259 L HN 1.003 nan 8.230 nan 0.000 0.457 260 G N 0.260 108.317 108.800 -1.239 0.000 2.512 260 G HA2 -0.203 3.757 3.960 0.000 0.000 0.210 260 G HA3 -0.203 3.757 3.960 0.000 0.000 0.210 260 G C -0.340 174.302 174.900 -0.429 0.000 1.295 260 G CA -0.271 44.378 45.100 -0.752 0.000 0.934 260 G HN 0.332 nan 8.290 nan 0.000 0.554 261 S N -0.450 115.149 115.700 -0.169 0.000 2.718 261 S HA 0.959 5.429 4.470 0.000 0.000 0.300 261 S C 0.313 174.834 174.600 -0.131 0.000 1.117 261 S CA 0.585 58.741 58.200 -0.072 0.000 1.002 261 S CB 1.851 65.137 63.200 0.144 0.000 1.092 261 S HN 2.426 nan 8.310 nan 0.000 0.542 262 A N 0.683 123.445 122.820 -0.096 0.000 2.269 262 A HA 0.794 5.114 4.320 0.000 0.000 0.327 262 A C 0.610 178.223 177.584 0.049 0.000 1.112 262 A CA -0.251 51.727 52.037 -0.098 0.000 0.865 262 A CB 0.094 18.974 19.000 -0.199 0.000 1.227 262 A HN 1.274 nan 8.150 nan 0.000 0.498 263 N N -1.274 117.412 118.700 -0.023 0.000 1.801 263 N HA -0.222 4.518 4.740 0.000 0.000 0.197 263 N C 1.176 176.589 175.510 -0.162 0.000 0.799 263 N CA 1.449 54.418 53.050 -0.134 0.000 1.298 263 N CB -0.913 37.362 38.487 -0.353 0.000 1.565 263 N HN 0.744 nan 8.380 nan 0.000 0.408 264 R N 0.446 120.835 120.500 -0.185 0.000 2.167 264 R HA 0.320 4.660 4.340 0.000 0.000 0.195 264 R C 0.155 176.490 176.300 0.059 0.000 1.027 264 R CA 0.757 56.805 56.100 -0.087 0.000 1.114 264 R CB 0.331 30.556 30.300 -0.126 0.000 1.075 264 R HN 0.222 nan 8.270 nan 0.000 0.538 265 V N 2.740 122.710 119.914 0.094 0.000 2.229 265 V HA 0.410 4.530 4.120 0.000 0.000 0.245 265 V C -0.193 175.898 176.094 -0.006 0.000 1.243 265 V CA 0.161 62.462 62.300 0.003 0.000 1.176 265 V CB 0.052 31.750 31.823 -0.208 0.000 1.323 265 V HN 0.413 nan 8.190 nan 0.000 0.499 266 A N 4.602 127.419 122.820 -0.006 0.000 2.610 266 A HA 0.811 5.132 4.320 0.000 0.000 0.291 266 A C -1.156 176.382 177.584 -0.077 0.000 1.086 266 A CA -0.821 51.189 52.037 -0.045 0.000 0.677 266 A CB 1.738 20.687 19.000 -0.085 0.000 1.278 266 A HN 0.499 nan 8.150 nan 0.000 0.414 267 Q N 0.620 120.291 119.800 -0.214 0.000 2.365 267 Q HA 0.330 4.670 4.340 0.000 0.000 0.269 267 Q C 0.398 175.907 176.000 -0.819 0.000 1.061 267 Q CA -0.769 54.759 55.803 -0.457 0.000 0.816 267 Q CB 2.662 31.233 28.738 -0.279 0.000 1.325 267 Q HN 0.858 nan 8.270 nan 0.000 0.446 268 K N 2.282 121.816 120.400 -1.442 0.000 2.059 268 K HA -0.189 4.131 4.320 0.000 0.000 0.212 268 K C -1.050 175.125 176.600 -0.708 0.000 1.050 268 K CA 2.011 57.694 56.287 -1.006 0.000 0.927 268 K CB -0.665 31.191 32.500 -1.074 0.000 0.714 268 K HN 0.327 nan 8.250 nan 0.000 0.447 269 P HA -0.120 nan 4.420 nan 0.000 0.216 269 P C 0.893 177.952 177.300 -0.402 0.000 1.150 269 P CA 1.857 64.665 63.100 -0.486 0.000 0.837 269 P CB -0.054 31.373 31.700 -0.455 0.000 0.786 270 A N -0.289 122.268 122.820 -0.439 0.000 1.873 270 A HA -0.211 4.109 4.320 0.000 0.000 0.215 270 A C 2.181 179.582 177.584 -0.305 0.000 1.186 270 A CA 1.810 53.622 52.037 -0.375 0.000 0.616 270 A CB -1.505 17.252 19.000 -0.405 0.000 0.823 270 A HN 0.098 nan 8.150 nan 0.000 0.442 271 N N 0.081 118.602 118.700 -0.298 0.000 2.104 271 N HA -0.151 4.589 4.740 0.000 0.000 0.190 271 N C 1.687 177.091 175.510 -0.177 0.000 1.024 271 N CA 1.728 54.642 53.050 -0.226 0.000 0.853 271 N CB -0.403 37.949 38.487 -0.225 0.000 1.008 271 N HN 0.680 nan 8.380 nan 0.000 0.424 272 E N 0.369 120.453 120.200 -0.193 0.000 2.047 272 E HA -0.037 4.313 4.350 0.000 0.000 0.191 272 E C 1.961 178.530 176.600 -0.051 0.000 0.987 272 E CA 1.047 57.371 56.400 -0.126 0.000 0.799 272 E CB -0.093 29.522 29.700 -0.142 0.000 0.752 272 E HN 0.347 nan 8.360 nan 0.000 0.449 273 A N 1.301 124.075 122.820 -0.077 0.000 1.902 273 A HA -0.163 4.157 4.320 0.000 0.000 0.217 273 A C 2.176 179.857 177.584 0.162 0.000 1.181 273 A CA 0.979 53.051 52.037 0.058 0.000 0.623 273 A CB -0.576 18.366 19.000 -0.096 0.000 0.818 273 A HN 0.219 nan 8.150 nan 0.000 0.443 274 L N -0.030 121.200 121.223 0.013 0.000 2.042 274 L HA -0.134 4.206 4.340 0.000 0.000 0.210 274 L C 2.627 179.529 176.870 0.054 0.000 1.076 274 L CA 2.221 57.075 54.840 0.024 0.000 0.749 274 L CB -0.723 41.278 42.059 -0.097 0.000 0.893 274 L HN 0.353 nan 8.230 nan 0.000 0.432 275 A N -1.604 121.225 122.820 0.016 0.000 2.019 275 A HA -0.179 4.141 4.320 0.000 0.000 0.219 275 A C 2.088 179.697 177.584 0.041 0.000 1.164 275 A CA 1.524 53.569 52.037 0.012 0.000 0.644 275 A CB -0.350 18.639 19.000 -0.019 0.000 0.805 275 A HN 0.613 nan 8.150 nan 0.000 0.449 276 Q N -0.702 119.155 119.800 0.095 0.000 2.391 276 Q HA 0.294 4.634 4.340 0.000 0.000 0.211 276 Q C 0.982 176.962 176.000 -0.034 0.000 0.908 276 Q CA 0.676 56.530 55.803 0.085 0.000 0.920 276 Q CB -0.468 28.421 28.738 0.250 0.000 1.056 276 Q HN 0.575 nan 8.270 nan 0.000 0.523 277 A N 2.750 125.583 122.820 0.022 0.000 2.498 277 A HA 0.054 4.374 4.320 0.000 0.000 0.239 277 A C 0.750 178.275 177.584 -0.098 0.000 1.068 277 A CA 0.307 52.289 52.037 -0.091 0.000 0.766 277 A CB 0.181 19.241 19.000 0.101 0.000 1.003 277 A HN 0.249 nan 8.150 nan 0.000 0.497 278 D N 0.827 121.121 120.400 -0.177 0.000 2.338 278 D HA 0.074 4.714 4.640 0.000 0.000 0.208 278 D C 0.075 176.356 176.300 -0.031 0.000 0.997 278 D CA 0.554 54.486 54.000 -0.112 0.000 0.880 278 D CB -0.092 40.621 40.800 -0.146 0.000 0.980 278 D HN 0.186 nan 8.370 nan 0.000 0.509 279 V N 1.058 120.972 119.914 -0.001 0.000 2.577 279 V HA 0.412 4.532 4.120 0.000 0.000 0.303 279 V C -0.645 175.486 176.094 0.061 0.000 1.042 279 V CA -0.984 61.359 62.300 0.072 0.000 0.872 279 V CB 2.577 34.466 31.823 0.109 0.000 0.998 279 V HN -0.073 nan 8.190 nan 0.000 0.423 280 V N 5.481 125.410 119.914 0.026 0.000 2.487 280 V HA 0.470 4.591 4.120 0.000 0.000 0.298 280 V C -0.546 175.450 176.094 -0.163 0.000 1.028 280 V CA -0.648 61.645 62.300 -0.013 0.000 0.860 280 V CB 1.857 33.676 31.823 -0.008 0.000 0.991 280 V HN 0.678 nan 8.190 nan 0.000 0.427 281 L N 5.867 127.070 121.223 -0.034 0.000 2.259 281 L HA 0.535 4.875 4.340 0.000 0.000 0.288 281 L C -0.894 175.984 176.870 0.013 0.000 1.051 281 L CA 0.027 54.835 54.840 -0.053 0.000 0.824 281 L CB 0.458 42.531 42.059 0.022 0.000 1.206 281 L HN 0.537 nan 8.230 nan 0.000 0.429 282 F N 6.141 125.883 119.950 -0.348 0.000 2.350 282 F HA 0.567 5.094 4.527 0.000 0.000 0.365 282 F C -0.653 175.072 175.800 -0.125 0.000 1.122 282 F CA -0.492 57.332 58.000 -0.294 0.000 1.139 282 F CB 0.885 39.522 39.000 -0.605 0.000 1.220 282 F HN 0.205 nan 8.300 nan 0.000 0.499 283 V N 5.044 124.836 119.914 -0.203 0.000 2.444 283 V HA 0.515 4.635 4.120 0.000 0.000 0.294 283 V C 0.486 176.490 176.094 -0.149 0.000 1.022 283 V CA -0.655 61.582 62.300 -0.105 0.000 0.850 283 V CB 1.077 32.908 31.823 0.013 0.000 0.992 283 V HN 0.960 nan 8.190 nan 0.000 0.426 284 G N 3.400 112.126 108.800 -0.124 0.000 2.366 284 G HA2 -0.255 3.705 3.960 0.000 0.000 0.299 284 G HA3 -0.255 3.705 3.960 0.000 0.000 0.299 284 G C -0.042 174.760 174.900 -0.164 0.000 1.020 284 G CA 0.640 45.686 45.100 -0.090 0.000 1.026 284 G HN 0.725 nan 8.290 nan 0.000 0.512 285 N N -0.285 118.201 118.700 -0.356 0.000 2.352 285 N HA 0.407 5.147 4.740 0.000 0.000 0.291 285 N C -0.432 174.879 175.510 -0.331 0.000 1.040 285 N CA -0.891 51.817 53.050 -0.569 0.000 0.864 285 N CB 1.530 39.147 38.487 -1.451 0.000 1.440 285 N HN 0.075 nan 8.380 nan 0.000 0.483 286 N N 2.760 121.447 118.700 -0.022 0.000 2.497 286 N HA 0.065 4.805 4.740 0.000 0.000 0.284 286 N C -1.208 174.479 175.510 0.295 0.000 1.459 286 N CA -0.406 52.760 53.050 0.193 0.000 0.899 286 N CB -0.252 38.315 38.487 0.133 0.000 1.316 286 N HN 0.447 nan 8.380 nan 0.000 0.500 287 Y N 2.228 122.661 120.300 0.222 0.000 2.861 287 Y HA -0.051 4.499 4.550 0.000 0.000 0.375 287 Y C -1.298 174.732 175.900 0.218 0.000 1.293 287 Y CA -0.748 57.519 58.100 0.278 0.000 1.651 287 Y CB 0.649 39.357 38.460 0.415 0.000 1.156 287 Y HN 0.314 nan 8.280 nan 0.000 0.533 288 P HA -0.082 nan 4.420 nan 0.000 0.241 288 P C 0.505 177.430 177.300 -0.625 0.000 1.191 288 P CA 1.048 63.911 63.100 -0.396 0.000 0.771 288 P CB -0.024 31.383 31.700 -0.489 0.000 0.929 289 F N -0.239 119.322 119.950 -0.648 0.000 2.727 289 F HA 0.352 4.879 4.527 0.000 0.000 0.302 289 F C 2.378 177.964 175.800 -0.355 0.000 1.097 289 F CA -0.028 57.647 58.000 -0.542 0.000 1.330 289 F CB -0.894 37.714 39.000 -0.654 0.000 1.084 289 F HN -0.082 nan 8.300 nan 0.000 0.578 290 A N 0.713 123.481 122.820 -0.085 0.000 1.859 290 A HA -0.253 4.067 4.320 0.000 0.000 0.217 290 A C 2.079 179.694 177.584 0.052 0.000 1.198 290 A CA 2.326 54.443 52.037 0.133 0.000 0.629 290 A CB -0.625 18.589 19.000 0.356 0.000 0.830 290 A HN 0.353 nan 8.150 nan 0.000 0.446 291 E N -0.488 119.745 120.200 0.055 0.000 2.051 291 E HA -0.070 4.280 4.350 0.000 0.000 0.189 291 E C 2.081 178.699 176.600 0.030 0.000 0.979 291 E CA 1.426 57.855 56.400 0.048 0.000 0.803 291 E CB -0.487 29.234 29.700 0.036 0.000 0.761 291 E HN 0.604 nan 8.360 nan 0.000 0.451 292 V N -0.220 119.709 119.914 0.026 0.000 2.626 292 V HA -0.148 3.972 4.120 0.000 0.000 0.252 292 V C 1.935 178.054 176.094 0.042 0.000 1.067 292 V CA 1.779 64.101 62.300 0.037 0.000 1.081 292 V CB -0.609 31.244 31.823 0.050 0.000 0.686 292 V HN 0.294 nan 8.190 nan 0.000 0.468 293 S N -1.036 114.691 115.700 0.046 0.000 2.556 293 S HA 0.194 4.664 4.470 0.000 0.000 0.216 293 S C 0.870 175.460 174.600 -0.016 0.000 0.970 293 S CA 0.086 58.297 58.200 0.018 0.000 0.912 293 S CB -0.568 62.650 63.200 0.030 0.000 0.790 293 S HN 0.705 nan 8.310 nan 0.000 0.504 294 K N 0.586 120.977 120.400 -0.013 0.000 3.071 294 K HA -0.233 4.087 4.320 0.000 0.000 0.262 294 K C 1.135 177.678 176.600 -0.094 0.000 0.977 294 K CA 0.351 56.625 56.287 -0.022 0.000 0.721 294 K CB -2.138 30.359 32.500 -0.005 0.000 1.293 294 K HN 0.561 nan 8.250 nan 0.000 0.475 295 A N 0.216 122.908 122.820 -0.215 0.000 1.940 295 A HA -0.123 4.197 4.320 0.000 0.000 0.219 295 A C 1.215 178.494 177.584 -0.508 0.000 1.176 295 A CA 1.450 53.228 52.037 -0.432 0.000 0.631 295 A CB -0.253 18.356 19.000 -0.652 0.000 0.814 295 A HN 0.383 nan 8.150 nan 0.000 0.446 296 F N -0.180 119.725 119.950 -0.075 0.000 2.708 296 F HA 0.199 4.726 4.527 0.000 0.000 0.300 296 F C 1.685 177.377 175.800 -0.180 0.000 1.118 296 F CA -0.163 57.684 58.000 -0.255 0.000 1.307 296 F CB -0.073 38.453 39.000 -0.789 0.000 0.986 296 F HN 0.354 nan 8.300 nan 0.000 0.522 297 K N -0.056 120.377 120.400 0.056 0.000 2.152 297 K HA -0.162 4.158 4.320 0.000 0.000 0.206 297 K C 0.791 177.434 176.600 0.073 0.000 1.048 297 K CA 1.895 58.233 56.287 0.085 0.000 0.933 297 K CB -0.176 32.347 32.500 0.038 0.000 0.721 297 K HN 0.143 nan 8.250 nan 0.000 0.447 298 N N 0.613 119.343 118.700 0.051 0.000 2.236 298 N HA 0.014 4.754 4.740 0.000 0.000 0.196 298 N C -0.409 175.117 175.510 0.028 0.000 1.114 298 N CA 0.286 53.353 53.050 0.029 0.000 0.859 298 N CB 0.644 39.138 38.487 0.011 0.000 0.982 298 N HN 0.152 nan 8.380 nan 0.000 0.493 299 T N 0.998 115.592 114.554 0.068 0.000 2.870 299 T HA 0.097 4.447 4.350 0.000 0.000 0.300 299 T C 1.440 176.151 174.700 0.019 0.000 0.989 299 T CA -0.134 62.007 62.100 0.068 0.000 1.139 299 T CB 2.188 71.137 68.868 0.135 0.000 0.920 299 T HN 0.143 nan 8.240 nan 0.000 0.537 300 R N 1.904 122.349 120.500 -0.092 0.000 2.066 300 R HA 0.033 4.373 4.340 0.000 0.000 0.224 300 R C -0.403 175.661 176.300 -0.394 0.000 1.122 300 R CA 0.995 56.904 56.100 -0.317 0.000 0.974 300 R CB 0.219 30.211 30.300 -0.514 0.000 0.871 300 R HN 0.605 nan 8.270 nan 0.000 0.435 301 Y N -1.115 119.238 120.300 0.088 0.000 2.425 301 Y HA 0.368 4.918 4.550 0.000 0.000 0.344 301 Y C -1.167 174.817 175.900 0.140 0.000 0.969 301 Y CA -1.357 56.804 58.100 0.103 0.000 1.052 301 Y CB 1.571 40.060 38.460 0.049 0.000 1.215 301 Y HN -0.069 nan 8.280 nan 0.000 0.451 302 F N 4.549 124.592 119.950 0.156 0.000 2.477 302 F HA 0.723 5.250 4.527 0.000 0.000 0.335 302 F C -1.554 174.271 175.800 0.041 0.000 1.130 302 F CA -0.915 57.097 58.000 0.020 0.000 0.948 302 F CB 0.705 39.703 39.000 -0.002 0.000 1.154 302 F HN 0.338 nan 8.300 nan 0.000 0.439 303 L N 5.443 126.493 121.223 -0.288 0.000 2.346 303 L HA 0.604 4.944 4.340 0.000 0.000 0.274 303 L C -0.825 175.915 176.870 -0.217 0.000 1.007 303 L CA -0.783 53.973 54.840 -0.140 0.000 0.818 303 L CB 2.037 44.049 42.059 -0.079 0.000 1.284 303 L HN 0.576 nan 8.230 nan 0.000 0.424 304 Q N 2.562 122.339 119.800 -0.038 0.000 2.359 304 Q HA 0.674 5.014 4.340 0.000 0.000 0.274 304 Q C -1.793 174.232 176.000 0.041 0.000 1.074 304 Q CA -0.631 55.196 55.803 0.040 0.000 0.810 304 Q CB 2.902 31.751 28.738 0.184 0.000 1.342 304 Q HN 0.617 nan 8.270 nan 0.000 0.427 305 I N 2.759 123.349 120.570 0.033 0.000 2.447 305 I HA 0.473 4.643 4.170 0.000 0.000 0.287 305 I C -0.982 175.145 176.117 0.017 0.000 1.023 305 I CA -0.504 60.808 61.300 0.020 0.000 1.083 305 I CB 1.924 39.925 38.000 0.002 0.000 1.245 305 I HN 0.540 nan 8.210 nan 0.000 0.434 306 D N 4.682 125.098 120.400 0.026 0.000 2.655 306 D HA 0.313 4.953 4.640 0.000 0.000 0.229 306 D C -0.042 176.268 176.300 0.016 0.000 1.229 306 D CA -0.471 53.541 54.000 0.019 0.000 0.807 306 D CB 3.032 43.858 40.800 0.043 0.000 1.514 306 D HN 0.499 nan 8.370 nan 0.000 0.444 307 I N 0.917 121.492 120.570 0.007 0.000 3.419 307 I HA -0.027 4.143 4.170 0.000 0.000 0.286 307 I C 0.012 176.133 176.117 0.007 0.000 1.268 307 I CA 0.476 61.780 61.300 0.006 0.000 1.414 307 I CB 0.358 38.360 38.000 0.003 0.000 1.074 307 I HN 0.172 nan 8.210 nan 0.000 0.457 308 D N 0.118 120.523 120.400 0.008 0.000 2.381 308 D HA 0.223 4.863 4.640 0.000 0.000 0.235 308 D C -1.813 174.499 176.300 0.020 0.000 1.068 308 D CA -2.566 51.438 54.000 0.007 0.000 0.832 308 D CB 1.783 42.576 40.800 -0.011 0.000 1.101 308 D HN -0.109 nan 8.370 nan 0.000 0.515 309 P HA -0.116 nan 4.420 nan 0.000 0.217 309 P C 0.955 178.272 177.300 0.028 0.000 1.148 309 P CA 1.162 64.276 63.100 0.025 0.000 0.828 309 P CB 0.205 31.916 31.700 0.018 0.000 0.783 310 A N -0.499 122.335 122.820 0.022 0.000 2.125 310 A HA -0.165 4.155 4.320 0.000 0.000 0.219 310 A C 1.871 179.480 177.584 0.042 0.000 1.156 310 A CA 1.436 53.488 52.037 0.025 0.000 0.671 310 A CB -0.671 18.337 19.000 0.013 0.000 0.794 310 A HN 0.088 nan 8.150 nan 0.000 0.459 311 K N -0.555 119.877 120.400 0.054 0.000 2.353 311 K HA 0.269 4.589 4.320 0.000 0.000 0.195 311 K C -0.007 176.664 176.600 0.117 0.000 1.031 311 K CA -0.019 56.322 56.287 0.090 0.000 1.079 311 K CB -0.020 32.535 32.500 0.091 0.000 0.857 311 K HN 0.447 nan 8.250 nan 0.000 0.535 312 L N 1.529 122.805 121.223 0.089 0.000 2.456 312 L HA 0.102 4.442 4.340 0.000 0.000 0.277 312 L C 1.043 177.970 176.870 0.094 0.000 1.124 312 L CA 0.304 55.203 54.840 0.097 0.000 0.880 312 L CB -0.194 41.906 42.059 0.068 0.000 1.192 312 L HN 0.445 nan 8.230 nan 0.000 0.463 313 G N 2.500 111.377 108.800 0.128 0.000 2.153 313 G HA2 -0.341 3.619 3.960 0.000 0.000 0.252 313 G HA3 -0.341 3.619 3.960 0.000 0.000 0.252 313 G C 1.059 175.990 174.900 0.053 0.000 0.994 313 G CA 0.681 45.834 45.100 0.088 0.000 0.698 313 G HN 0.762 nan 8.290 nan 0.000 0.521 314 K N -0.328 120.128 120.400 0.094 0.000 2.031 314 K HA 0.028 4.348 4.320 0.000 0.000 0.205 314 K C 2.491 179.123 176.600 0.054 0.000 1.049 314 K CA 1.052 57.385 56.287 0.076 0.000 0.939 314 K CB -0.140 32.428 32.500 0.113 0.000 0.717 314 K HN 0.262 nan 8.250 nan 0.000 0.438 315 R N -0.567 119.973 120.500 0.066 0.000 2.254 315 R HA 0.134 4.474 4.340 0.000 0.000 0.195 315 R C 0.322 176.584 176.300 -0.063 0.000 0.957 315 R CA 0.440 56.567 56.100 0.045 0.000 1.024 315 R CB 0.234 30.618 30.300 0.139 0.000 0.952 315 R HN 0.383 nan 8.270 nan 0.000 0.484 316 H N -0.283 118.537 119.070 -0.416 0.000 3.068 316 H HA 0.150 4.706 4.556 0.000 0.000 0.342 316 H C -1.109 173.955 175.328 -0.440 0.000 1.284 316 H CA -0.711 54.980 56.048 -0.596 0.000 1.181 316 H CB 2.208 31.147 29.762 -1.372 0.000 1.898 316 H HN -0.197 nan 8.280 nan 0.000 0.540 317 K N 2.102 122.080 120.400 -0.703 0.000 2.472 317 K HA 0.073 4.393 4.320 0.000 0.000 0.280 317 K C -0.863 175.653 176.600 -0.141 0.000 1.028 317 K CA 0.559 56.633 56.287 -0.355 0.000 1.045 317 K CB 0.338 32.633 32.500 -0.341 0.000 0.902 317 K HN 0.402 nan 8.250 nan 0.000 0.478 318 T N 4.447 119.017 114.554 0.026 0.000 2.779 318 T HA 0.133 4.483 4.350 0.000 0.000 0.280 318 T C 0.260 175.052 174.700 0.155 0.000 0.987 318 T CA -0.835 61.392 62.100 0.211 0.000 0.966 318 T CB 1.374 70.392 68.868 0.251 0.000 0.933 318 T HN 0.590 nan 8.240 nan 0.000 0.442 319 D N 2.140 122.655 120.400 0.192 0.000 2.103 319 D HA 0.054 4.694 4.640 0.000 0.000 0.199 319 D C 0.482 176.824 176.300 0.071 0.000 0.978 319 D CA 1.204 55.281 54.000 0.129 0.000 0.829 319 D CB 0.528 41.427 40.800 0.165 0.000 0.981 319 D HN 0.454 nan 8.370 nan 0.000 0.464 320 I N 0.245 120.857 120.570 0.069 0.000 2.512 320 I HA 0.376 4.546 4.170 0.000 0.000 0.287 320 I C -1.017 175.133 176.117 0.054 0.000 1.069 320 I CA -0.790 60.533 61.300 0.039 0.000 1.056 320 I CB 2.435 40.437 38.000 0.003 0.000 1.229 320 I HN -0.219 nan 8.210 nan 0.000 0.429 321 A N 6.336 129.189 122.820 0.056 0.000 2.311 321 A HA 0.755 5.076 4.320 0.000 0.000 0.306 321 A C -0.768 176.842 177.584 0.043 0.000 1.189 321 A CA -0.526 51.551 52.037 0.067 0.000 0.791 321 A CB 1.129 20.183 19.000 0.090 0.000 1.172 321 A HN 0.426 nan 8.150 nan 0.000 0.481 322 V N 3.617 123.551 119.914 0.034 0.000 2.383 322 V HA 0.248 4.368 4.120 0.000 0.000 0.275 322 V C -0.115 175.994 176.094 0.024 0.000 1.036 322 V CA -0.402 61.911 62.300 0.022 0.000 0.889 322 V CB 1.192 33.021 31.823 0.011 0.000 0.985 322 V HN 0.783 nan 8.190 nan 0.000 0.459 323 L N 6.182 127.418 121.223 0.021 0.000 2.295 323 L HA 0.768 5.108 4.340 0.000 0.000 0.288 323 L C 0.157 177.034 176.870 0.011 0.000 1.079 323 L CA 0.693 55.544 54.840 0.019 0.000 0.830 323 L CB -0.019 42.051 42.059 0.019 0.000 1.200 323 L HN 0.872 nan 8.230 nan 0.000 0.438 324 A N 3.430 126.256 122.820 0.009 0.000 2.544 324 A HA 0.378 4.698 4.320 0.000 0.000 0.291 324 A C -1.495 176.090 177.584 0.002 0.000 1.055 324 A CA -0.770 51.269 52.037 0.004 0.000 0.651 324 A CB 0.315 19.315 19.000 0.001 0.000 1.296 324 A HN 0.589 nan 8.150 nan 0.000 0.431 325 D N 0.693 121.093 120.400 -0.001 0.000 2.424 325 D HA 0.507 5.147 4.640 0.000 0.000 0.244 325 D C 1.296 177.592 176.300 -0.007 0.000 1.134 325 D CA 0.798 54.797 54.000 -0.003 0.000 0.881 325 D CB 1.385 42.183 40.800 -0.004 0.000 1.191 325 D HN 0.840 nan 8.370 nan 0.000 0.445 326 A N 3.647 126.462 122.820 -0.008 0.000 1.865 326 A HA -0.256 4.064 4.320 0.000 0.000 0.217 326 A C 1.980 179.549 177.584 -0.024 0.000 1.191 326 A CA 1.769 53.797 52.037 -0.015 0.000 0.623 326 A CB -0.825 18.166 19.000 -0.016 0.000 0.826 326 A HN 0.823 nan 8.150 nan 0.000 0.444 327 Q N -0.311 119.474 119.800 -0.025 0.000 2.050 327 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 327 Q C 2.034 178.018 176.000 -0.027 0.000 0.980 327 Q CA 1.961 57.745 55.803 -0.032 0.000 0.840 327 Q CB -0.143 28.578 28.738 -0.028 0.000 0.898 327 Q HN 0.695 nan 8.270 nan 0.000 0.424 328 K N -0.641 119.747 120.400 -0.019 0.000 2.097 328 K HA -0.095 4.225 4.320 0.000 0.000 0.206 328 K C 2.099 178.689 176.600 -0.017 0.000 1.049 328 K CA 1.752 58.029 56.287 -0.017 0.000 0.933 328 K CB -0.027 32.466 32.500 -0.013 0.000 0.717 328 K HN 0.227 nan 8.250 nan 0.000 0.442 329 T N 1.742 116.286 114.554 -0.016 0.000 2.770 329 T HA -0.037 4.313 4.350 0.000 0.000 0.263 329 T C 1.867 176.556 174.700 -0.018 0.000 1.039 329 T CA 0.887 62.979 62.100 -0.015 0.000 1.142 329 T CB -0.162 68.700 68.868 -0.011 0.000 0.868 329 T HN 0.076 nan 8.240 nan 0.000 0.435 330 L N 0.952 122.161 121.223 -0.024 0.000 2.083 330 L HA -0.079 4.261 4.340 0.000 0.000 0.209 330 L C 3.020 179.872 176.870 -0.031 0.000 1.083 330 L CA 1.128 55.950 54.840 -0.029 0.000 0.752 330 L CB -0.672 41.360 42.059 -0.044 0.000 0.899 330 L HN 0.243 nan 8.230 nan 0.000 0.433 331 A N 0.040 122.841 122.820 -0.030 0.000 1.930 331 A HA -0.130 4.190 4.320 0.000 0.000 0.217 331 A C 2.546 180.117 177.584 -0.023 0.000 1.175 331 A CA 1.613 53.633 52.037 -0.028 0.000 0.627 331 A CB -0.639 18.345 19.000 -0.026 0.000 0.815 331 A HN 0.386 nan 8.150 nan 0.000 0.443 332 A N -0.058 122.750 122.820 -0.020 0.000 1.933 332 A HA -0.048 4.272 4.320 0.000 0.000 0.218 332 A C 2.094 179.668 177.584 -0.018 0.000 1.175 332 A CA 1.445 53.471 52.037 -0.017 0.000 0.628 332 A CB -0.566 18.425 19.000 -0.015 0.000 0.814 332 A HN 0.507 nan 8.150 nan 0.000 0.444 333 I N -0.998 119.561 120.570 -0.018 0.000 2.202 333 I HA -0.216 3.954 4.170 0.000 0.000 0.242 333 I C 2.394 178.499 176.117 -0.020 0.000 1.091 333 I CA 1.136 62.426 61.300 -0.018 0.000 1.368 333 I CB -0.321 37.670 38.000 -0.015 0.000 1.058 333 I HN 0.353 nan 8.210 nan 0.000 0.410 334 L N 1.346 122.555 121.223 -0.023 0.000 2.079 334 L HA -0.167 4.173 4.340 0.000 0.000 0.210 334 L C 2.457 179.312 176.870 -0.024 0.000 1.081 334 L CA 2.030 56.854 54.840 -0.026 0.000 0.752 334 L CB -0.670 41.370 42.059 -0.031 0.000 0.896 334 L HN 0.203 nan 8.230 nan 0.000 0.433 335 A N -0.964 121.844 122.820 -0.021 0.000 2.121 335 A HA -0.158 4.162 4.320 0.000 0.000 0.218 335 A C 1.894 179.467 177.584 -0.018 0.000 1.154 335 A CA 1.268 53.293 52.037 -0.019 0.000 0.679 335 A CB -0.494 18.496 19.000 -0.017 0.000 0.795 335 A HN 0.760 nan 8.150 nan 0.000 0.458 336 Q N -0.381 119.408 119.800 -0.018 0.000 2.159 336 Q HA 0.379 4.719 4.340 0.000 0.000 0.217 336 Q C -0.051 175.938 176.000 -0.019 0.000 0.818 336 Q CA 0.192 55.984 55.803 -0.018 0.000 1.008 336 Q CB -0.124 28.604 28.738 -0.017 0.000 1.148 336 Q HN 0.480 nan 8.270 nan 0.000 0.491 337 V N -1.782 118.119 119.914 -0.021 0.000 3.113 337 V HA 0.925 5.045 4.120 0.000 0.000 0.316 337 V C -0.459 175.619 176.094 -0.027 0.000 1.125 337 V CA -0.229 62.056 62.300 -0.024 0.000 1.026 337 V CB 1.831 33.638 31.823 -0.026 0.000 1.080 337 V HN 0.335 nan 8.190 nan 0.000 0.444 338 S N -0.308 115.374 115.700 -0.030 0.000 2.671 338 S HA 0.634 5.104 4.470 0.000 0.000 0.277 338 S C -0.555 174.019 174.600 -0.043 0.000 1.165 338 S CA -0.605 57.576 58.200 -0.032 0.000 0.822 338 S CB 1.312 64.497 63.200 -0.026 0.000 1.150 338 S HN 1.331 nan 8.310 nan 0.000 0.479 339 E N 0.846 121.019 120.200 -0.045 0.000 2.608 339 E HA 0.062 4.412 4.350 0.000 0.000 0.259 339 E C -0.519 176.042 176.600 -0.066 0.000 0.951 339 E CA 0.677 57.041 56.400 -0.060 0.000 0.945 339 E CB 0.296 29.967 29.700 -0.049 0.000 0.916 339 E HN 0.482 nan 8.360 nan 0.000 0.477 340 R N 4.099 124.541 120.500 -0.096 0.000 2.562 340 R HA 0.284 4.624 4.340 0.000 0.000 0.298 340 R C -0.258 175.970 176.300 -0.120 0.000 0.961 340 R CA -0.867 55.177 56.100 -0.094 0.000 0.881 340 R CB 1.380 31.620 30.300 -0.100 0.000 1.159 340 R HN 0.627 nan 8.270 nan 0.000 0.450 341 E N 1.034 121.186 120.200 -0.079 0.000 2.404 341 E HA -0.026 4.324 4.350 0.000 0.000 0.261 341 E C -0.073 176.466 176.600 -0.101 0.000 1.074 341 E CA 0.079 56.437 56.400 -0.070 0.000 0.917 341 E CB 0.818 30.503 29.700 -0.024 0.000 0.965 341 E HN 0.367 nan 8.360 nan 0.000 0.433 342 S N 1.499 117.145 115.700 -0.090 0.000 2.599 342 S HA -0.049 4.421 4.470 0.000 0.000 0.303 342 S C -0.098 174.524 174.600 0.037 0.000 1.267 342 S CA 0.161 58.336 58.200 -0.041 0.000 1.055 342 S CB 0.041 63.307 63.200 0.111 0.000 0.790 342 S HN 0.524 nan 8.310 nan 0.000 0.500 343 T N 3.296 117.910 114.554 0.100 0.000 2.950 343 T HA 0.553 4.904 4.350 0.000 0.000 0.288 343 T C -2.189 172.604 174.700 0.157 0.000 1.035 343 T CA -1.959 60.225 62.100 0.140 0.000 1.028 343 T CB 1.298 70.275 68.868 0.181 0.000 1.109 343 T HN 0.296 nan 8.240 nan 0.000 0.514 344 P HA -0.121 nan 4.420 nan 0.000 0.216 344 P C 1.299 178.706 177.300 0.179 0.000 1.154 344 P CA 1.046 64.244 63.100 0.164 0.000 0.865 344 P CB -0.058 31.787 31.700 0.241 0.000 0.789 345 W N -0.709 120.635 121.300 0.074 0.000 2.335 345 W HA -0.188 4.472 4.660 0.000 0.000 0.311 345 W C 2.037 178.605 176.519 0.082 0.000 1.213 345 W CA 0.973 58.366 57.345 0.080 0.000 1.274 345 W CB -1.015 28.502 29.460 0.094 0.000 1.148 345 W HN 0.080 nan 8.180 nan 0.000 0.498 346 W N 1.722 122.952 121.300 -0.116 0.000 2.354 346 W HA -0.274 4.386 4.660 0.000 0.000 0.315 346 W C 2.219 178.515 176.519 -0.372 0.000 1.206 346 W CA 2.047 59.238 57.345 -0.257 0.000 1.290 346 W CB -0.612 28.783 29.460 -0.108 0.000 1.152 346 W HN 0.090 nan 8.180 nan 0.000 0.489 347 Q N 0.346 119.926 119.800 -0.367 0.000 2.084 347 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 347 Q C 2.544 178.037 176.000 -0.846 0.000 0.978 347 Q CA 2.226 57.523 55.803 -0.843 0.000 0.844 347 Q CB -0.657 27.245 28.738 -1.393 0.000 0.898 347 Q HN 0.292 nan 8.270 nan 0.000 0.426 348 A N 1.270 123.782 122.820 -0.514 0.000 1.902 348 A HA -0.207 4.113 4.320 0.000 0.000 0.217 348 A C 1.833 179.239 177.584 -0.297 0.000 1.181 348 A CA 1.496 53.484 52.037 -0.081 0.000 0.623 348 A CB -0.497 18.575 19.000 0.120 0.000 0.818 348 A HN 0.311 nan 8.150 nan 0.000 0.443 349 N N 0.000 118.386 118.700 -0.524 0.000 2.142 349 N HA -0.067 4.673 4.740 0.000 0.000 0.186 349 N C 1.785 176.951 175.510 -0.573 0.000 1.023 349 N CA 1.273 53.969 53.050 -0.590 0.000 0.852 349 N CB -0.333 37.700 38.487 -0.757 0.000 0.998 349 N HN 0.472 nan 8.380 nan 0.000 0.424 350 L N 1.080 121.889 121.223 -0.689 0.000 2.012 350 L HA -0.192 4.148 4.340 0.000 0.000 0.210 350 L C 2.550 179.128 176.870 -0.487 0.000 1.073 350 L CA 1.344 55.796 54.840 -0.647 0.000 0.748 350 L CB -0.538 41.073 42.059 -0.746 0.000 0.891 350 L HN 0.133 nan 8.230 nan 0.000 0.431 351 A N -0.069 122.459 122.820 -0.487 0.000 1.902 351 A HA -0.254 4.066 4.320 0.000 0.000 0.217 351 A C 2.047 179.120 177.584 -0.851 0.000 1.181 351 A CA 2.124 53.813 52.037 -0.579 0.000 0.623 351 A CB -0.691 18.003 19.000 -0.510 0.000 0.818 351 A HN 0.461 nan 8.150 nan 0.000 0.443 352 N N 0.066 118.301 118.700 -0.776 0.000 2.120 352 N HA -0.128 4.612 4.740 0.000 0.000 0.188 352 N C 1.510 176.877 175.510 -0.239 0.000 1.024 352 N CA 1.730 54.492 53.050 -0.481 0.000 0.852 352 N CB -0.378 37.973 38.487 -0.226 0.000 1.003 352 N HN 0.158 nan 8.380 nan 0.000 0.424 353 V N 0.952 120.710 119.914 -0.260 0.000 2.332 353 V HA -0.217 3.903 4.120 0.000 0.000 0.248 353 V C 2.309 178.369 176.094 -0.057 0.000 1.055 353 V CA 1.564 63.787 62.300 -0.128 0.000 1.038 353 V CB -0.432 31.264 31.823 -0.211 0.000 0.651 353 V HN 0.359 nan 8.190 nan 0.000 0.450 354 K N 0.036 120.341 120.400 -0.159 0.000 2.032 354 K HA -0.225 4.095 4.320 0.000 0.000 0.209 354 K C 2.198 178.769 176.600 -0.049 0.000 1.048 354 K CA 1.718 57.936 56.287 -0.115 0.000 0.927 354 K CB -0.416 31.991 32.500 -0.155 0.000 0.712 354 K HN 0.527 nan 8.250 nan 0.000 0.441 355 N N 0.459 119.128 118.700 -0.050 0.000 2.120 355 N HA -0.212 4.528 4.740 0.000 0.000 0.188 355 N C 1.734 177.334 175.510 0.150 0.000 1.024 355 N CA 1.093 54.181 53.050 0.063 0.000 0.852 355 N CB -0.119 38.448 38.487 0.133 0.000 1.003 355 N HN 0.419 nan 8.380 nan 0.000 0.424 356 W N 1.983 123.260 121.300 -0.038 0.000 2.381 356 W HA -0.096 4.564 4.660 0.000 0.000 0.301 356 W C 1.867 178.408 176.519 0.037 0.000 1.205 356 W CA 0.741 58.086 57.345 -0.001 0.000 1.285 356 W CB -0.152 29.269 29.460 -0.065 0.000 1.133 356 W HN 0.097 nan 8.180 nan 0.000 0.521 357 R N 0.339 120.798 120.500 -0.067 0.000 2.120 357 R HA -0.119 4.221 4.340 0.000 0.000 0.234 357 R C 2.510 178.705 176.300 -0.176 0.000 1.123 357 R CA 1.481 57.466 56.100 -0.192 0.000 0.975 357 R CB -0.794 29.459 30.300 -0.078 0.000 0.866 357 R HN 0.147 nan 8.270 nan 0.000 0.446 358 A N 0.649 123.418 122.820 -0.086 0.000 1.933 358 A HA -0.225 4.095 4.320 0.000 0.000 0.218 358 A C 1.966 179.497 177.584 -0.089 0.000 1.175 358 A CA 1.185 53.181 52.037 -0.067 0.000 0.628 358 A CB -0.682 18.311 19.000 -0.013 0.000 0.814 358 A HN 0.456 nan 8.150 nan 0.000 0.444 359 Y N 0.697 120.869 120.300 -0.214 0.000 2.097 359 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 359 Y C 1.947 177.621 175.900 -0.378 0.000 1.152 359 Y CA 1.996 59.936 58.100 -0.267 0.000 1.136 359 Y CB -0.433 37.867 38.460 -0.267 0.000 0.975 359 Y HN 0.210 nan 8.280 nan 0.000 0.498 360 L N -0.108 120.732 121.223 -0.637 0.000 2.046 360 L HA -0.234 4.106 4.340 0.000 0.000 0.208 360 L C 2.813 179.457 176.870 -0.377 0.000 1.077 360 L CA 1.208 55.653 54.840 -0.658 0.000 0.747 360 L CB -1.108 40.544 42.059 -0.678 0.000 0.896 360 L HN 0.382 nan 8.230 nan 0.000 0.432 361 A N 0.312 122.965 122.820 -0.279 0.000 1.902 361 A HA -0.234 4.086 4.320 0.000 0.000 0.217 361 A C 2.553 180.020 177.584 -0.195 0.000 1.181 361 A CA 2.013 53.941 52.037 -0.182 0.000 0.623 361 A CB -0.735 18.186 19.000 -0.133 0.000 0.818 361 A HN 0.536 nan 8.150 nan 0.000 0.443 362 S N 0.157 115.716 115.700 -0.234 0.000 2.383 362 S HA -0.144 4.326 4.470 0.000 0.000 0.229 362 S C 1.883 176.332 174.600 -0.252 0.000 1.030 362 S CA 1.588 59.663 58.200 -0.209 0.000 1.002 362 S CB -0.762 62.327 63.200 -0.185 0.000 0.829 362 S HN 0.470 nan 8.310 nan 0.000 0.467 363 L N 1.005 121.989 121.223 -0.398 0.000 2.044 363 L HA -0.010 4.330 4.340 0.000 0.000 0.205 363 L C 2.956 179.709 176.870 -0.194 0.000 1.075 363 L CA 1.636 56.242 54.840 -0.390 0.000 0.747 363 L CB -0.680 40.886 42.059 -0.821 0.000 0.903 363 L HN 0.356 nan 8.230 nan 0.000 0.435 364 E N 0.140 120.226 120.200 -0.191 0.000 2.110 364 E HA -0.206 4.144 4.350 0.000 0.000 0.193 364 E C 1.167 177.698 176.600 -0.116 0.000 0.988 364 E CA 1.182 57.493 56.400 -0.149 0.000 0.804 364 E CB -0.007 29.615 29.700 -0.130 0.000 0.745 364 E HN 0.434 nan 8.360 nan 0.000 0.458 365 D N 0.561 120.895 120.400 -0.111 0.000 2.340 365 D HA 0.020 4.660 4.640 0.000 0.000 0.220 365 D C -0.149 176.109 176.300 -0.072 0.000 1.039 365 D CA 0.286 54.234 54.000 -0.087 0.000 0.866 365 D CB 0.124 40.874 40.800 -0.082 0.000 0.913 365 D HN 0.051 nan 8.370 nan 0.000 0.523 366 K N 0.847 121.206 120.400 -0.069 0.000 2.527 366 K HA 0.003 4.323 4.320 0.000 0.000 0.278 366 K C 1.095 177.667 176.600 -0.047 0.000 0.981 366 K CA 0.369 56.626 56.287 -0.050 0.000 1.009 366 K CB 0.810 33.288 32.500 -0.037 0.000 0.895 366 K HN -0.050 nan 8.250 nan 0.000 0.493 367 Q N 1.298 121.075 119.800 -0.038 0.000 2.245 367 Q HA 0.110 4.450 4.340 0.000 0.000 0.236 367 Q C -0.267 175.716 176.000 -0.028 0.000 0.842 367 Q CA 0.494 56.276 55.803 -0.036 0.000 0.945 367 Q CB 1.133 29.852 28.738 -0.032 0.000 1.122 367 Q HN 0.649 nan 8.270 nan 0.000 0.506 368 E N -1.309 118.876 120.200 -0.024 0.000 2.392 368 E HA 0.516 4.866 4.350 0.000 0.000 0.279 368 E C -0.790 175.800 176.600 -0.017 0.000 0.964 368 E CA -0.090 56.299 56.400 -0.019 0.000 0.777 368 E CB 1.787 31.478 29.700 -0.015 0.000 1.249 368 E HN 0.135 nan 8.360 nan 0.000 0.449 369 G N 1.985 110.777 108.800 -0.014 0.000 2.362 369 G HA2 -0.070 3.890 3.960 0.000 0.000 0.517 369 G HA3 -0.070 3.890 3.960 0.000 0.000 0.517 369 G C -2.925 171.966 174.900 -0.014 0.000 1.256 369 G CA -0.921 44.172 45.100 -0.012 0.000 1.027 369 G HN 0.419 nan 8.290 nan 0.000 0.491 370 P HA 0.424 nan 4.420 nan 0.000 0.267 370 P C 0.018 177.304 177.300 -0.023 0.000 1.205 370 P CA -0.372 62.718 63.100 -0.017 0.000 0.765 370 P CB 0.807 32.498 31.700 -0.016 0.000 0.828 371 L N 4.364 125.569 121.223 -0.029 0.000 2.410 371 L HA 0.120 4.460 4.340 0.000 0.000 0.273 371 L C 0.101 176.933 176.870 -0.064 0.000 1.152 371 L CA 0.801 55.616 54.840 -0.042 0.000 0.855 371 L CB -0.215 41.821 42.059 -0.039 0.000 1.129 371 L HN 0.381 nan 8.230 nan 0.000 0.463 372 Q N 3.237 122.983 119.800 -0.090 0.000 2.359 372 Q HA 0.553 4.893 4.340 0.000 0.000 0.275 372 Q C 0.886 176.750 176.000 -0.226 0.000 1.082 372 Q CA -0.292 55.393 55.803 -0.197 0.000 0.849 372 Q CB 1.567 30.156 28.738 -0.249 0.000 1.377 372 Q HN 0.796 nan 8.270 nan 0.000 0.452 373 A N 0.524 123.153 122.820 -0.319 0.000 1.986 373 A HA -0.235 4.085 4.320 0.000 0.000 0.220 373 A C 1.400 178.898 177.584 -0.143 0.000 1.171 373 A CA 1.736 53.720 52.037 -0.090 0.000 0.640 373 A CB -0.735 18.189 19.000 -0.126 0.000 0.811 373 A HN 0.759 nan 8.150 nan 0.000 0.451 374 Y N 0.001 120.218 120.300 -0.139 0.000 2.128 374 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 374 Y C 2.604 178.264 175.900 -0.399 0.000 1.154 374 Y CA 1.620 59.453 58.100 -0.444 0.000 1.149 374 Y CB -1.095 37.164 38.460 -0.336 0.000 0.976 374 Y HN 0.378 nan 8.280 nan 0.000 0.505 375 Q N -0.260 119.486 119.800 -0.090 0.000 2.172 375 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 375 Q C 2.378 178.264 176.000 -0.190 0.000 0.964 375 Q CA 1.174 56.896 55.803 -0.135 0.000 0.855 375 Q CB -0.640 28.041 28.738 -0.095 0.000 0.918 375 Q HN 0.332 nan 8.270 nan 0.000 0.444 376 V N 0.615 120.442 119.914 -0.144 0.000 2.332 376 V HA -0.266 3.854 4.120 0.000 0.000 0.248 376 V C 2.010 177.991 176.094 -0.187 0.000 1.055 376 V CA 1.664 63.861 62.300 -0.172 0.000 1.038 376 V CB -0.536 31.210 31.823 -0.128 0.000 0.651 376 V HN 0.331 nan 8.190 nan 0.000 0.450 377 L N -0.447 120.730 121.223 -0.077 0.000 2.156 377 L HA -0.080 4.260 4.340 0.000 0.000 0.208 377 L C 2.759 179.521 176.870 -0.181 0.000 1.095 377 L CA 1.183 55.974 54.840 -0.080 0.000 0.770 377 L CB -0.600 41.432 42.059 -0.046 0.000 0.914 377 L HN 0.243 nan 8.230 nan 0.000 0.439 378 R N 0.919 121.282 120.500 -0.228 0.000 2.081 378 R HA -0.174 4.166 4.340 0.000 0.000 0.235 378 R C 2.130 178.270 176.300 -0.267 0.000 1.131 378 R CA 1.730 57.707 56.100 -0.205 0.000 0.960 378 R CB -0.297 29.891 30.300 -0.186 0.000 0.856 378 R HN 0.338 nan 8.270 nan 0.000 0.436 379 A N 0.446 123.003 122.820 -0.437 0.000 1.933 379 A HA -0.076 4.244 4.320 0.000 0.000 0.218 379 A C 2.440 179.624 177.584 -0.666 0.000 1.175 379 A CA 1.467 53.074 52.037 -0.717 0.000 0.628 379 A CB -0.519 17.666 19.000 -1.359 0.000 0.814 379 A HN 0.198 nan 8.150 nan 0.000 0.444 380 V N 1.026 120.636 119.914 -0.507 0.000 2.287 380 V HA -0.291 3.829 4.120 0.000 0.000 0.248 380 V C 2.352 178.376 176.094 -0.116 0.000 1.053 380 V CA 2.220 64.413 62.300 -0.179 0.000 1.027 380 V CB -0.982 30.736 31.823 -0.176 0.000 0.646 380 V HN 0.555 nan 8.190 nan 0.000 0.447 381 N N 0.226 118.848 118.700 -0.130 0.000 2.094 381 N HA -0.165 4.575 4.740 0.000 0.000 0.191 381 N C 1.773 177.273 175.510 -0.016 0.000 1.023 381 N CA 1.226 54.239 53.050 -0.060 0.000 0.857 381 N CB -0.315 38.129 38.487 -0.072 0.000 1.013 381 N HN 0.415 nan 8.380 nan 0.000 0.426 382 K N 0.822 121.192 120.400 -0.051 0.000 2.211 382 K HA -0.002 4.318 4.320 0.000 0.000 0.203 382 K C 1.833 178.460 176.600 0.046 0.000 1.050 382 K CA 0.547 56.824 56.287 -0.018 0.000 0.945 382 K CB -0.001 32.464 32.500 -0.058 0.000 0.732 382 K HN 0.478 nan 8.250 nan 0.000 0.451 383 I N -2.800 117.834 120.570 0.107 0.000 3.956 383 I HA 0.254 4.424 4.170 0.000 0.000 0.333 383 I C 0.544 176.815 176.117 0.258 0.000 1.302 383 I CA -0.422 60.992 61.300 0.190 0.000 1.122 383 I CB 0.342 38.507 38.000 0.275 0.000 1.013 383 I HN -0.268 nan 8.210 nan 0.000 0.405 384 A N 1.944 124.916 122.820 0.252 0.000 2.409 384 A HA 0.329 4.649 4.320 0.000 0.000 0.267 384 A C 0.187 177.889 177.584 0.198 0.000 1.127 384 A CA -0.223 52.005 52.037 0.318 0.000 0.795 384 A CB -0.009 19.151 19.000 0.267 0.000 1.061 384 A HN 0.495 nan 8.150 nan 0.000 0.502 385 E N 3.410 123.715 120.200 0.175 0.000 2.390 385 E HA 0.107 4.457 4.350 0.000 0.000 0.261 385 E C -1.328 175.334 176.600 0.102 0.000 1.076 385 E CA -1.534 54.926 56.400 0.100 0.000 0.905 385 E CB 0.546 30.279 29.700 0.055 0.000 0.984 385 E HN 0.513 nan 8.360 nan 0.000 0.427 386 P HA -0.156 nan 4.420 nan 0.000 0.222 386 P C 0.173 177.513 177.300 0.067 0.000 1.147 386 P CA 1.267 64.409 63.100 0.070 0.000 0.790 386 P CB 0.165 31.893 31.700 0.047 0.000 0.780 387 D N -1.299 119.128 120.400 0.046 0.000 2.501 387 D HA 0.243 4.883 4.640 0.000 0.000 0.226 387 D C 0.373 176.673 176.300 0.001 0.000 1.198 387 D CA -0.764 53.248 54.000 0.020 0.000 0.830 387 D CB -0.472 40.322 40.800 -0.010 0.000 1.014 387 D HN -0.020 nan 8.370 nan 0.000 0.496 388 A N 0.599 123.439 122.820 0.033 0.000 2.466 388 A HA 0.415 4.735 4.320 0.000 0.000 0.238 388 A C 0.248 177.772 177.584 -0.100 0.000 1.074 388 A CA -0.067 51.942 52.037 -0.047 0.000 0.774 388 A CB 0.186 19.180 19.000 -0.011 0.000 1.015 388 A HN 0.380 nan 8.150 nan 0.000 0.498 389 I N 0.802 121.273 120.570 -0.165 0.000 2.441 389 I HA 0.346 4.516 4.170 0.000 0.000 0.295 389 I C -1.280 174.764 176.117 -0.121 0.000 0.994 389 I CA -0.332 60.931 61.300 -0.062 0.000 1.144 389 I CB 1.502 39.483 38.000 -0.031 0.000 1.314 389 I HN 0.599 nan 8.210 nan 0.000 0.445 390 Y N 3.716 124.144 120.300 0.214 0.000 2.328 390 Y HA 0.320 4.870 4.550 0.000 0.000 0.333 390 Y C 0.399 176.414 175.900 0.191 0.000 0.958 390 Y CA -0.643 57.599 58.100 0.238 0.000 1.167 390 Y CB 1.928 40.499 38.460 0.186 0.000 1.151 390 Y HN 0.415 nan 8.280 nan 0.000 0.470 391 S N 5.150 121.021 115.700 0.284 0.000 2.438 391 S HA 0.645 5.115 4.470 0.000 0.000 0.293 391 S C -0.674 174.051 174.600 0.208 0.000 1.141 391 S CA -0.400 57.920 58.200 0.201 0.000 1.080 391 S CB -0.250 63.031 63.200 0.136 0.000 0.978 391 S HN 0.574 nan 8.310 nan 0.000 0.479 392 I N 4.313 124.992 120.570 0.182 0.000 2.433 392 I HA 0.349 4.519 4.170 0.000 0.000 0.292 392 I C 0.667 176.838 176.117 0.090 0.000 1.001 392 I CA -0.828 60.563 61.300 0.151 0.000 1.119 392 I CB 1.675 39.788 38.000 0.189 0.000 1.289 392 I HN 0.616 nan 8.210 nan 0.000 0.438 393 D N 3.950 124.377 120.400 0.046 0.000 2.376 393 D HA 0.344 4.984 4.640 0.000 0.000 0.281 393 D C -0.864 175.413 176.300 -0.039 0.000 1.215 393 D CA 0.061 54.066 54.000 0.008 0.000 1.062 393 D CB 1.494 42.295 40.800 0.002 0.000 1.124 393 D HN 0.099 nan 8.370 nan 0.000 0.550 394 V N -0.212 119.653 119.914 -0.082 0.000 2.483 394 V HA 0.669 4.789 4.120 0.000 0.000 0.297 394 V C 0.684 176.624 176.094 -0.257 0.000 1.027 394 V CA 0.198 62.395 62.300 -0.171 0.000 0.855 394 V CB 0.852 32.600 31.823 -0.126 0.000 0.995 394 V HN 0.890 nan 8.190 nan 0.000 0.424 395 G N 3.682 112.176 108.800 -0.510 0.000 2.347 395 G HA2 0.011 3.972 3.960 0.000 0.000 0.224 395 G HA3 0.011 3.972 3.960 0.000 0.000 0.224 395 G C -0.088 174.421 174.900 -0.652 0.000 1.318 395 G CA 0.038 44.795 45.100 -0.571 0.000 1.016 395 G HN 0.410 nan 8.290 nan 0.000 0.469 396 D N -0.367 119.959 120.400 -0.122 0.000 2.190 396 D HA -0.097 4.543 4.640 0.000 0.000 0.200 396 D C 2.381 178.567 176.300 -0.190 0.000 0.992 396 D CA 1.257 55.277 54.000 0.033 0.000 0.854 396 D CB -0.004 40.867 40.800 0.119 0.000 0.936 396 D HN 0.278 nan 8.370 nan 0.000 0.462 397 I N 1.444 121.833 120.570 -0.300 0.000 2.264 397 I HA -0.285 3.885 4.170 0.000 0.000 0.248 397 I C 1.361 177.301 176.117 -0.295 0.000 1.111 397 I CA 1.363 62.433 61.300 -0.383 0.000 1.382 397 I CB -0.379 37.379 38.000 -0.405 0.000 1.060 397 I HN -0.027 nan 8.210 nan 0.000 0.418 398 N N 0.166 118.657 118.700 -0.348 0.000 2.084 398 N HA -0.213 4.527 4.740 0.000 0.000 0.190 398 N C 1.942 177.181 175.510 -0.452 0.000 1.030 398 N CA 1.706 54.511 53.050 -0.409 0.000 0.849 398 N CB -0.417 37.751 38.487 -0.532 0.000 1.012 398 N HN 0.434 nan 8.380 nan 0.000 0.423 399 L N 0.937 121.974 121.223 -0.310 0.000 1.994 399 L HA -0.181 4.159 4.340 0.000 0.000 0.208 399 L C 1.648 178.494 176.870 -0.040 0.000 1.071 399 L CA 1.465 56.251 54.840 -0.091 0.000 0.745 399 L CB -0.250 41.919 42.059 0.184 0.000 0.892 399 L HN 0.224 nan 8.230 nan 0.000 0.431 400 N N 0.290 118.976 118.700 -0.023 0.000 2.142 400 N HA -0.136 4.604 4.740 0.000 0.000 0.186 400 N C 1.826 177.369 175.510 0.055 0.000 1.023 400 N CA 1.505 54.606 53.050 0.084 0.000 0.852 400 N CB -0.430 38.077 38.487 0.034 0.000 0.998 400 N HN 0.506 nan 8.380 nan 0.000 0.424 401 A N 1.326 124.099 122.820 -0.078 0.000 1.902 401 A HA -0.188 4.132 4.320 0.000 0.000 0.217 401 A C 2.150 179.689 177.584 -0.074 0.000 1.181 401 A CA 1.795 53.779 52.037 -0.088 0.000 0.623 401 A CB -0.826 18.110 19.000 -0.107 0.000 0.818 401 A HN 0.350 nan 8.150 nan 0.000 0.443 402 N N -0.410 118.249 118.700 -0.068 0.000 2.166 402 N HA -0.154 4.586 4.740 0.000 0.000 0.186 402 N C 1.844 177.360 175.510 0.009 0.000 1.019 402 N CA 1.805 54.852 53.050 -0.004 0.000 0.856 402 N CB -0.233 38.204 38.487 -0.083 0.000 0.993 402 N HN 0.533 nan 8.380 nan 0.000 0.426 403 R N -1.522 118.953 120.500 -0.043 0.000 2.075 403 R HA 0.051 4.391 4.340 0.000 0.000 0.226 403 R C 1.576 177.712 176.300 -0.274 0.000 1.114 403 R CA 1.044 57.063 56.100 -0.135 0.000 0.972 403 R CB -0.161 29.988 30.300 -0.252 0.000 0.869 403 R HN 0.465 nan 8.270 nan 0.000 0.437 404 H N -0.150 118.895 119.070 -0.041 0.000 2.516 404 H HA 0.186 4.742 4.556 0.000 0.000 0.284 404 H C 0.622 175.883 175.328 -0.113 0.000 0.999 404 H CA 0.075 56.076 56.048 -0.079 0.000 1.303 404 H CB 0.313 30.037 29.762 -0.064 0.000 1.452 404 H HN 0.005 nan 8.280 nan 0.000 0.530 405 L N 2.213 123.400 121.223 -0.060 0.000 2.453 405 L HA 0.032 4.372 4.340 0.000 0.000 0.272 405 L C 0.375 177.165 176.870 -0.133 0.000 1.182 405 L CA 0.398 55.125 54.840 -0.189 0.000 0.858 405 L CB 0.560 42.369 42.059 -0.416 0.000 1.120 405 L HN -0.110 nan 8.230 nan 0.000 0.474 406 K N 5.312 125.648 120.400 -0.107 0.000 2.290 406 K HA 0.441 4.761 4.320 0.000 0.000 0.250 406 K C -0.798 175.777 176.600 -0.041 0.000 1.092 406 K CA -0.170 56.087 56.287 -0.051 0.000 1.006 406 K CB 0.507 32.994 32.500 -0.022 0.000 1.549 406 K HN 0.434 nan 8.250 nan 0.000 0.436 407 L N 1.404 122.590 121.223 -0.061 0.000 2.375 407 L HA 0.498 4.838 4.340 0.000 0.000 0.268 407 L C 0.723 177.587 176.870 -0.010 0.000 1.058 407 L CA -0.631 54.190 54.840 -0.032 0.000 0.803 407 L CB 1.550 43.561 42.059 -0.079 0.000 1.212 407 L HN 0.532 nan 8.230 nan 0.000 0.451 408 T N -2.771 111.796 114.554 0.022 0.000 2.865 408 T HA 0.402 4.752 4.350 0.000 0.000 0.294 408 T C -2.398 172.317 174.700 0.024 0.000 1.119 408 T CA -1.813 60.295 62.100 0.013 0.000 1.007 408 T CB 1.879 70.760 68.868 0.022 0.000 1.225 408 T HN 0.212 nan 8.240 nan 0.000 0.515 409 P HA -0.055 nan 4.420 nan 0.000 0.219 409 P C 1.383 178.695 177.300 0.020 0.000 1.144 409 P CA 0.992 64.099 63.100 0.010 0.000 0.806 409 P CB -0.085 31.610 31.700 -0.009 0.000 0.771 410 S N -1.726 113.989 115.700 0.024 0.000 2.489 410 S HA -0.004 4.466 4.470 0.000 0.000 0.228 410 S C 0.836 175.455 174.600 0.031 0.000 0.995 410 S CA 0.427 58.639 58.200 0.021 0.000 0.934 410 S CB -0.759 62.455 63.200 0.023 0.000 0.771 410 S HN 0.348 nan 8.310 nan 0.000 0.522 411 N N 1.014 119.757 118.700 0.072 0.000 2.463 411 N HA 0.359 5.099 4.740 0.000 0.000 0.270 411 N C -0.163 175.418 175.510 0.117 0.000 1.205 411 N CA -0.338 52.787 53.050 0.125 0.000 0.974 411 N CB 0.551 39.171 38.487 0.221 0.000 1.197 411 N HN -0.044 nan 8.380 nan 0.000 0.504 412 R N 0.559 121.147 120.500 0.145 0.000 2.750 412 R HA 0.388 4.728 4.340 0.000 0.000 0.281 412 R C -1.139 175.346 176.300 0.308 0.000 0.972 412 R CA -0.811 55.378 56.100 0.149 0.000 0.912 412 R CB 1.212 31.532 30.300 0.032 0.000 1.187 412 R HN 0.904 nan 8.270 nan 0.000 0.464 413 H N -0.509 118.636 119.070 0.125 0.000 2.806 413 H HA 0.768 5.324 4.556 0.000 0.000 0.367 413 H C -0.471 174.896 175.328 0.065 0.000 1.136 413 H CA -1.029 55.107 56.048 0.147 0.000 1.178 413 H CB 1.677 31.516 29.762 0.128 0.000 1.718 413 H HN 0.571 nan 8.280 nan 0.000 0.540 414 I N -0.129 120.469 120.570 0.046 0.000 2.769 414 I HA 0.793 4.963 4.170 0.000 0.000 0.298 414 I C -0.939 175.202 176.117 0.041 0.000 1.128 414 I CA -0.771 60.505 61.300 -0.041 0.000 1.031 414 I CB 2.542 40.541 38.000 -0.001 0.000 1.235 414 I HN 0.784 nan 8.210 nan 0.000 0.423 415 T N 1.350 115.907 114.554 0.005 0.000 2.681 415 T HA 0.364 4.714 4.350 0.000 0.000 0.296 415 T C -0.924 173.797 174.700 0.035 0.000 1.157 415 T CA -0.453 61.681 62.100 0.056 0.000 1.025 415 T CB 1.924 70.869 68.868 0.128 0.000 1.441 415 T HN 0.748 nan 8.240 nan 0.000 0.504 416 S N 1.776 117.512 115.700 0.059 0.000 2.701 416 S HA 0.211 4.681 4.470 0.000 0.000 0.317 416 S C 1.040 175.694 174.600 0.090 0.000 1.149 416 S CA -0.582 57.665 58.200 0.079 0.000 1.052 416 S CB -0.768 62.496 63.200 0.107 0.000 1.257 416 S HN 0.540 nan 8.310 nan 0.000 0.532 417 N N 3.583 122.322 118.700 0.064 0.000 2.120 417 N HA -0.065 4.676 4.740 0.000 0.000 0.188 417 N C 1.188 176.772 175.510 0.124 0.000 1.024 417 N CA 1.126 54.226 53.050 0.083 0.000 0.852 417 N CB -0.196 38.306 38.487 0.025 0.000 1.003 417 N HN 0.583 nan 8.380 nan 0.000 0.424 418 L N -1.866 119.432 121.223 0.124 0.000 2.663 418 L HA 0.311 4.651 4.340 0.000 0.000 0.218 418 L C 1.488 178.464 176.870 0.176 0.000 1.043 418 L CA 0.330 55.246 54.840 0.127 0.000 0.876 418 L CB -0.533 41.594 42.059 0.114 0.000 1.263 418 L HN -0.104 nan 8.230 nan 0.000 0.486 419 F N 2.109 122.085 119.950 0.043 0.000 2.234 419 F HA 0.229 4.756 4.527 0.000 0.000 0.299 419 F C 1.612 177.432 175.800 0.034 0.000 1.087 419 F CA 0.768 58.796 58.000 0.047 0.000 1.340 419 F CB -0.302 38.741 39.000 0.071 0.000 1.031 419 F HN 0.213 nan 8.300 nan 0.000 0.500 420 A N 0.906 123.775 122.820 0.081 0.000 2.687 420 A HA -0.250 4.070 4.320 0.000 0.000 0.299 420 A C 0.760 178.275 177.584 -0.114 0.000 1.497 420 A CA 0.935 52.963 52.037 -0.014 0.000 0.751 420 A CB -2.674 16.314 19.000 -0.020 0.000 1.048 420 A HN 0.451 nan 8.150 nan 0.000 0.464 421 T N 0.796 115.325 114.554 -0.042 0.000 2.779 421 T HA 0.501 4.851 4.350 0.000 0.000 0.296 421 T C 0.741 175.422 174.700 -0.031 0.000 0.938 421 T CA -0.030 62.032 62.100 -0.063 0.000 1.119 421 T CB -0.185 68.765 68.868 0.137 0.000 0.891 421 T HN 0.458 nan 8.240 nan 0.000 0.526 422 M N 3.957 123.517 119.600 -0.067 0.000 2.240 422 M HA 0.309 4.789 4.480 0.000 0.000 0.317 422 M C 1.679 177.964 176.300 -0.025 0.000 1.087 422 M CA 1.400 56.674 55.300 -0.043 0.000 1.176 422 M CB 0.281 32.853 32.600 -0.047 0.000 1.439 422 M HN 0.994 nan 8.290 nan 0.000 0.452 423 G N -0.053 108.738 108.800 -0.015 0.000 2.195 423 G HA2 -0.231 3.729 3.960 0.000 0.000 0.224 423 G HA3 -0.231 3.729 3.960 0.000 0.000 0.224 423 G C 0.450 175.340 174.900 -0.018 0.000 0.990 423 G CA 0.263 45.350 45.100 -0.022 0.000 0.639 423 G HN 0.832 nan 8.290 nan 0.000 0.514 424 V N -0.314 119.599 119.914 -0.002 0.000 2.970 424 V HA 0.360 4.480 4.120 0.000 0.000 0.260 424 V C 2.547 178.649 176.094 0.014 0.000 1.100 424 V CA 2.011 64.314 62.300 0.005 0.000 1.122 424 V CB -0.908 30.929 31.823 0.023 0.000 0.721 424 V HN 0.905 nan 8.190 nan 0.000 0.483 425 G N 1.137 109.951 108.800 0.024 0.000 2.459 425 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 425 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 425 G C 1.483 176.407 174.900 0.040 0.000 1.183 425 G CA 1.470 46.599 45.100 0.047 0.000 0.776 425 G HN 0.528 nan 8.290 nan 0.000 0.552 426 I N 1.907 122.488 120.570 0.019 0.000 2.099 426 I HA -0.127 4.043 4.170 0.000 0.000 0.239 426 I C 0.097 176.210 176.117 -0.007 0.000 1.066 426 I CA 1.391 62.698 61.300 0.012 0.000 1.324 426 I CB -0.858 37.146 38.000 0.007 0.000 1.037 426 I HN 0.192 nan 8.210 nan 0.000 0.401 427 P HA -0.137 nan 4.420 nan 0.000 0.217 427 P C 1.603 178.869 177.300 -0.057 0.000 1.150 427 P CA 2.000 65.049 63.100 -0.084 0.000 0.832 427 P CB -0.311 31.313 31.700 -0.126 0.000 0.787 428 G N 0.439 109.231 108.800 -0.013 0.000 2.422 428 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 428 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 428 G C 1.775 176.704 174.900 0.049 0.000 1.146 428 G CA 0.986 46.100 45.100 0.023 0.000 0.769 428 G HN 0.368 nan 8.290 nan 0.000 0.547 429 A N 0.535 123.383 122.820 0.047 0.000 1.929 429 A HA 0.167 4.487 4.320 0.000 0.000 0.216 429 A C 2.364 179.970 177.584 0.036 0.000 1.176 429 A CA 0.935 53.003 52.037 0.052 0.000 0.628 429 A CB -0.266 18.765 19.000 0.051 0.000 0.816 429 A HN 0.360 nan 8.150 nan 0.000 0.444 430 I N -0.144 120.438 120.570 0.020 0.000 2.179 430 I HA -0.303 3.867 4.170 0.000 0.000 0.242 430 I C 2.989 179.125 176.117 0.032 0.000 1.088 430 I CA 1.169 62.479 61.300 0.017 0.000 1.357 430 I CB -0.312 37.690 38.000 0.004 0.000 1.051 430 I HN 0.358 nan 8.210 nan 0.000 0.409 431 A N 0.637 123.489 122.820 0.054 0.000 1.902 431 A HA -0.170 4.150 4.320 0.000 0.000 0.217 431 A C 2.542 180.194 177.584 0.113 0.000 1.181 431 A CA 1.869 53.981 52.037 0.127 0.000 0.623 431 A CB -0.912 18.166 19.000 0.129 0.000 0.818 431 A HN 0.438 nan 8.150 nan 0.000 0.443 432 A N -0.293 122.601 122.820 0.123 0.000 1.883 432 A HA -0.191 4.129 4.320 0.000 0.000 0.217 432 A C 2.092 179.780 177.584 0.173 0.000 1.186 432 A CA 2.436 54.592 52.037 0.198 0.000 0.624 432 A CB -0.408 18.688 19.000 0.160 0.000 0.822 432 A HN 0.417 nan 8.150 nan 0.000 0.444 433 K N -0.120 120.325 120.400 0.076 0.000 2.155 433 K HA 0.090 4.410 4.320 0.000 0.000 0.203 433 K C 1.706 178.298 176.600 -0.014 0.000 1.052 433 K CA 1.040 57.351 56.287 0.039 0.000 0.948 433 K CB -0.530 31.977 32.500 0.010 0.000 0.728 433 K HN 0.482 nan 8.250 nan 0.000 0.448 434 L N 0.566 121.738 121.223 -0.085 0.000 2.093 434 L HA -0.163 4.177 4.340 0.000 0.000 0.208 434 L C 1.831 178.590 176.870 -0.184 0.000 1.085 434 L CA 1.138 55.834 54.840 -0.239 0.000 0.755 434 L CB -0.394 41.316 42.059 -0.580 0.000 0.904 434 L HN 0.251 nan 8.230 nan 0.000 0.435 435 N N -0.925 117.690 118.700 -0.142 0.000 2.300 435 N HA -0.083 4.657 4.740 0.000 0.000 0.179 435 N C -0.182 174.995 175.510 -0.554 0.000 1.016 435 N CA 0.987 53.830 53.050 -0.346 0.000 0.876 435 N CB 0.273 38.435 38.487 -0.542 0.000 0.979 435 N HN 0.288 nan 8.380 nan 0.000 0.432 436 Y N -0.536 119.781 120.300 0.028 0.000 2.511 436 Y HA 0.358 4.908 4.550 0.000 0.000 0.356 436 Y C -1.864 174.032 175.900 -0.006 0.000 1.002 436 Y CA -1.903 56.207 58.100 0.016 0.000 1.127 436 Y CB 1.477 39.949 38.460 0.019 0.000 1.137 436 Y HN -0.048 nan 8.280 nan 0.000 0.652 437 P HA -0.143 nan 4.420 nan 0.000 0.219 437 P C 0.976 178.297 177.300 0.034 0.000 1.146 437 P CA 1.505 64.626 63.100 0.035 0.000 0.808 437 P CB 0.533 32.238 31.700 0.008 0.000 0.779 438 E N -1.232 119.002 120.200 0.057 0.000 2.479 438 E HA 0.093 4.443 4.350 0.000 0.000 0.193 438 E C 0.647 177.260 176.600 0.020 0.000 1.049 438 E CA 0.188 56.606 56.400 0.031 0.000 0.870 438 E CB 0.069 29.791 29.700 0.037 0.000 0.944 438 E HN 0.333 nan 8.360 nan 0.000 0.492 439 R N 1.043 121.566 120.500 0.038 0.000 2.474 439 R HA 0.250 4.590 4.340 0.000 0.000 0.295 439 R C 0.256 176.526 176.300 -0.049 0.000 0.980 439 R CA -0.455 55.642 56.100 -0.006 0.000 0.934 439 R CB 1.516 31.802 30.300 -0.024 0.000 1.101 439 R HN 0.075 nan 8.270 nan 0.000 0.469 440 Q N 1.948 121.694 119.800 -0.089 0.000 2.337 440 Q HA 0.181 4.521 4.340 0.000 0.000 0.270 440 Q C -1.104 174.761 176.000 -0.226 0.000 1.002 440 Q CA 0.119 55.815 55.803 -0.179 0.000 0.888 440 Q CB 0.942 29.576 28.738 -0.173 0.000 1.222 440 Q HN 0.279 nan 8.270 nan 0.000 0.400 441 V N 5.336 125.063 119.914 -0.312 0.000 2.531 441 V HA 0.434 4.555 4.120 0.000 0.000 0.301 441 V C -0.982 174.892 176.094 -0.367 0.000 1.034 441 V CA -0.624 61.537 62.300 -0.231 0.000 0.865 441 V CB 1.312 33.083 31.823 -0.087 0.000 0.995 441 V HN 0.637 nan 8.190 nan 0.000 0.424 442 F N 2.786 122.658 119.950 -0.130 0.000 2.458 442 F HA 0.540 5.067 4.527 0.000 0.000 0.330 442 F C 0.361 176.202 175.800 0.068 0.000 1.082 442 F CA -0.560 57.434 58.000 -0.009 0.000 0.995 442 F CB 1.686 40.714 39.000 0.046 0.000 1.170 442 F HN 0.520 nan 8.300 nan 0.000 0.478 443 N N 3.516 122.381 118.700 0.276 0.000 2.476 443 N HA 0.406 5.146 4.740 0.000 0.000 0.257 443 N C -1.829 173.842 175.510 0.269 0.000 0.970 443 N CA -0.324 52.858 53.050 0.219 0.000 0.938 443 N CB 0.590 39.149 38.487 0.120 0.000 1.144 443 N HN 0.576 nan 8.380 nan 0.000 0.500 444 L N 2.519 123.910 121.223 0.279 0.000 2.276 444 L HA 0.818 5.158 4.340 0.000 0.000 0.286 444 L C -0.248 176.733 176.870 0.185 0.000 1.024 444 L CA -0.880 54.145 54.840 0.308 0.000 0.826 444 L CB 1.162 43.385 42.059 0.273 0.000 1.211 444 L HN 0.630 nan 8.230 nan 0.000 0.422 445 A N 2.316 125.269 122.820 0.221 0.000 2.486 445 A HA 0.798 5.118 4.320 0.000 0.000 0.300 445 A C -0.028 177.637 177.584 0.134 0.000 1.048 445 A CA -0.367 51.728 52.037 0.096 0.000 0.696 445 A CB 1.563 20.580 19.000 0.029 0.000 1.278 445 A HN 0.685 nan 8.150 nan 0.000 0.405 446 G N 0.324 109.155 108.800 0.051 0.000 2.636 446 G HA2 0.370 4.330 3.960 0.000 0.000 0.246 446 G HA3 0.370 4.330 3.960 0.000 0.000 0.246 446 G C 0.448 175.383 174.900 0.059 0.000 1.216 446 G CA 0.428 45.583 45.100 0.092 0.000 0.854 446 G HN 0.841 nan 8.290 nan 0.000 0.572 447 D N -0.063 120.400 120.400 0.106 0.000 2.178 447 D HA -0.084 4.556 4.640 0.000 0.000 0.202 447 D C 2.195 178.621 176.300 0.210 0.000 0.974 447 D CA 1.325 55.394 54.000 0.116 0.000 0.841 447 D CB -0.914 40.050 40.800 0.273 0.000 0.953 447 D HN 0.468 nan 8.370 nan 0.000 0.478 448 G N 0.522 109.493 108.800 0.286 0.000 2.421 448 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 448 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 448 G C 1.721 176.755 174.900 0.224 0.000 1.171 448 G CA 1.014 46.324 45.100 0.349 0.000 0.775 448 G HN 0.494 nan 8.290 nan 0.000 0.543 449 G N 0.833 109.722 108.800 0.147 0.000 2.394 449 G HA2 0.143 4.104 3.960 0.000 0.000 0.215 449 G HA3 0.143 4.104 3.960 0.000 0.000 0.215 449 G C 2.055 176.981 174.900 0.042 0.000 1.165 449 G CA 1.380 46.520 45.100 0.067 0.000 0.784 449 G HN 0.628 nan 8.290 nan 0.000 0.535 450 A N 1.499 124.322 122.820 0.006 0.000 1.940 450 A HA -0.067 4.253 4.320 0.000 0.000 0.219 450 A C 2.737 180.424 177.584 0.170 0.000 1.176 450 A CA 2.618 54.629 52.037 -0.044 0.000 0.631 450 A CB -0.789 17.957 19.000 -0.424 0.000 0.814 450 A HN 0.760 nan 8.150 nan 0.000 0.446 451 S N -0.442 115.432 115.700 0.290 0.000 2.399 451 S HA -0.179 4.291 4.470 0.000 0.000 0.231 451 S C 1.976 176.642 174.600 0.110 0.000 1.022 451 S CA 1.719 60.098 58.200 0.298 0.000 0.983 451 S CB -0.612 62.704 63.200 0.193 0.000 0.803 451 S HN 0.516 nan 8.310 nan 0.000 0.480 452 M N 1.716 121.351 119.600 0.059 0.000 2.296 452 M HA -0.030 4.450 4.480 0.000 0.000 0.265 452 M C 1.548 177.805 176.300 -0.071 0.000 1.064 452 M CA 1.643 56.932 55.300 -0.018 0.000 1.109 452 M CB -0.453 32.127 32.600 -0.033 0.000 1.396 452 M HN 0.683 nan 8.290 nan 0.000 0.430 453 T N -3.421 111.115 114.554 -0.031 0.000 3.200 453 T HA 0.267 4.617 4.350 0.000 0.000 0.284 453 T C 1.159 175.865 174.700 0.011 0.000 1.009 453 T CA -0.382 61.683 62.100 -0.059 0.000 0.907 453 T CB -0.410 68.415 68.868 -0.072 0.000 1.120 453 T HN 0.404 nan 8.240 nan 0.000 0.534 454 M N 1.292 120.935 119.600 0.072 0.000 2.144 454 M HA -0.199 4.281 4.480 0.000 0.000 0.260 454 M C 2.312 178.650 176.300 0.064 0.000 1.067 454 M CA 1.909 57.289 55.300 0.133 0.000 1.095 454 M CB -0.841 31.874 32.600 0.192 0.000 1.365 454 M HN 0.224 nan 8.290 nan 0.000 0.406 455 Q N 0.897 120.715 119.800 0.030 0.000 2.234 455 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 455 Q C 0.786 176.802 176.000 0.027 0.000 0.980 455 Q CA 2.010 57.827 55.803 0.022 0.000 0.869 455 Q CB -1.114 27.644 28.738 0.034 0.000 0.912 455 Q HN 0.676 nan 8.270 nan 0.000 0.436 456 D N 0.583 120.999 120.400 0.027 0.000 2.349 456 D HA 0.095 4.736 4.640 0.000 0.000 0.224 456 D C 1.778 178.096 176.300 0.030 0.000 1.029 456 D CA 0.013 54.030 54.000 0.029 0.000 0.879 456 D CB 0.215 41.024 40.800 0.015 0.000 0.906 456 D HN 0.289 nan 8.370 nan 0.000 0.528 457 L N 0.869 122.112 121.223 0.033 0.000 2.127 457 L HA -0.190 4.150 4.340 0.000 0.000 0.211 457 L C 2.617 179.493 176.870 0.010 0.000 1.089 457 L CA 0.893 55.749 54.840 0.028 0.000 0.757 457 L CB -0.351 41.732 42.059 0.041 0.000 0.899 457 L HN -0.001 nan 8.230 nan 0.000 0.434 458 A N -0.547 122.276 122.820 0.005 0.000 2.019 458 A HA -0.178 4.142 4.320 0.000 0.000 0.219 458 A C 2.345 179.934 177.584 0.009 0.000 1.164 458 A CA 2.156 54.188 52.037 -0.009 0.000 0.644 458 A CB -0.718 18.276 19.000 -0.010 0.000 0.805 458 A HN 0.396 nan 8.150 nan 0.000 0.449 459 T N 0.014 114.601 114.554 0.054 0.000 2.857 459 T HA -0.141 4.209 4.350 0.000 0.000 0.266 459 T C 2.005 176.796 174.700 0.152 0.000 1.048 459 T CA 1.587 63.772 62.100 0.141 0.000 1.139 459 T CB -0.218 68.735 68.868 0.141 0.000 0.874 459 T HN 0.652 nan 8.240 nan 0.000 0.455 460 Q N 0.376 120.218 119.800 0.070 0.000 2.084 460 Q HA -0.066 4.275 4.340 0.000 0.000 0.202 460 Q C 2.546 178.537 176.000 -0.014 0.000 0.978 460 Q CA 1.106 56.936 55.803 0.046 0.000 0.844 460 Q CB -0.402 28.349 28.738 0.021 0.000 0.898 460 Q HN 0.344 nan 8.270 nan 0.000 0.426 461 V N 0.858 120.736 119.914 -0.061 0.000 2.270 461 V HA -0.303 3.817 4.120 0.000 0.000 0.245 461 V C 2.300 178.198 176.094 -0.327 0.000 1.043 461 V CA 2.131 64.330 62.300 -0.168 0.000 1.014 461 V CB -0.631 31.130 31.823 -0.103 0.000 0.645 461 V HN 0.392 nan 8.190 nan 0.000 0.447 462 Q N -0.874 118.785 119.800 -0.235 0.000 2.135 462 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 462 Q C 1.609 177.308 176.000 -0.503 0.000 0.981 462 Q CA 2.096 57.666 55.803 -0.389 0.000 0.856 462 Q CB -0.058 28.430 28.738 -0.417 0.000 0.902 462 Q HN 0.785 nan 8.270 nan 0.000 0.425 463 Y N -1.184 119.076 120.300 -0.066 0.000 2.555 463 Y HA 0.178 4.728 4.550 0.000 0.000 0.259 463 Y C -0.602 175.362 175.900 0.106 0.000 1.179 463 Y CA -0.091 58.028 58.100 0.031 0.000 1.230 463 Y CB 0.247 38.697 38.460 -0.017 0.000 1.146 463 Y HN 0.195 nan 8.280 nan 0.000 0.526 464 H N -0.471 118.631 119.070 0.054 0.000 2.604 464 H HA -0.171 4.385 4.556 0.000 0.000 0.321 464 H C -0.856 174.497 175.328 0.041 0.000 1.132 464 H CA 0.324 56.394 56.048 0.036 0.000 1.129 464 H CB -1.948 27.826 29.762 0.021 0.000 1.526 464 H HN 0.288 nan 8.280 nan 0.000 0.415 465 L N 1.274 122.556 121.223 0.097 0.000 2.270 465 L HA 0.293 4.633 4.340 0.000 0.000 0.286 465 L C -1.790 175.094 176.870 0.024 0.000 1.059 465 L CA -1.921 52.954 54.840 0.058 0.000 0.839 465 L CB 0.960 43.048 42.059 0.049 0.000 1.221 465 L HN -0.016 nan 8.230 nan 0.000 0.431 466 P HA 0.049 nan 4.420 nan 0.000 0.231 466 P C -0.104 177.155 177.300 -0.067 0.000 1.756 466 P CA 0.018 63.106 63.100 -0.020 0.000 0.990 466 P CB -0.037 31.645 31.700 -0.029 0.000 1.973 467 V N 2.321 122.203 119.914 -0.054 0.000 2.686 467 V HA 0.089 4.209 4.120 0.000 0.000 0.295 467 V C 0.976 177.009 176.094 -0.102 0.000 1.055 467 V CA -0.130 62.121 62.300 -0.082 0.000 1.050 467 V CB 0.761 32.567 31.823 -0.028 0.000 0.984 467 V HN 0.242 nan 8.190 nan 0.000 0.482 468 I N 5.226 125.684 120.570 -0.187 0.000 2.287 468 I HA 0.257 4.427 4.170 0.000 0.000 0.290 468 I C 0.243 176.375 176.117 0.026 0.000 1.069 468 I CA -0.065 61.153 61.300 -0.137 0.000 1.237 468 I CB 0.112 37.916 38.000 -0.326 0.000 1.418 468 I HN 0.612 nan 8.210 nan 0.000 0.481 469 N N 6.552 125.274 118.700 0.037 0.000 2.444 469 N HA 0.330 5.070 4.740 0.000 0.000 0.271 469 N C -0.791 174.759 175.510 0.067 0.000 1.069 469 N CA -0.270 52.822 53.050 0.070 0.000 0.965 469 N CB 2.611 41.118 38.487 0.033 0.000 1.092 469 N HN 0.195 nan 8.380 nan 0.000 0.476 470 V N 2.725 122.713 119.914 0.123 0.000 2.409 470 V HA 0.268 4.388 4.120 0.000 0.000 0.290 470 V C 0.067 176.182 176.094 0.034 0.000 1.017 470 V CA -0.817 61.516 62.300 0.055 0.000 0.841 470 V CB 1.758 33.684 31.823 0.173 0.000 1.003 470 V HN 0.294 nan 8.190 nan 0.000 0.426 471 V N 5.182 125.025 119.914 -0.119 0.000 2.427 471 V HA 0.486 4.606 4.120 0.000 0.000 0.286 471 V C -0.560 175.446 176.094 -0.147 0.000 1.034 471 V CA -0.416 61.808 62.300 -0.127 0.000 0.893 471 V CB 1.524 33.099 31.823 -0.413 0.000 0.982 471 V HN 0.675 nan 8.190 nan 0.000 0.452 472 F N 2.229 122.137 119.950 -0.069 0.000 2.303 472 F HA 0.349 4.877 4.527 0.000 0.000 0.368 472 F C 0.984 176.771 175.800 -0.021 0.000 1.105 472 F CA -0.345 57.637 58.000 -0.031 0.000 1.153 472 F CB 1.020 40.003 39.000 -0.027 0.000 1.362 472 F HN 0.346 nan 8.300 nan 0.000 0.511 473 T N 3.156 117.761 114.554 0.085 0.000 2.794 473 T HA 0.101 4.451 4.350 0.000 0.000 0.304 473 T C 0.933 175.666 174.700 0.056 0.000 0.973 473 T CA -0.459 61.699 62.100 0.096 0.000 0.972 473 T CB -0.037 68.901 68.868 0.115 0.000 0.952 473 T HN 0.518 nan 8.240 nan 0.000 0.509 474 N N 0.319 119.038 118.700 0.032 0.000 2.205 474 N HA 0.051 4.791 4.740 0.000 0.000 0.201 474 N C 0.490 175.903 175.510 -0.162 0.000 1.128 474 N CA -0.473 52.547 53.050 -0.051 0.000 0.867 474 N CB -0.545 37.910 38.487 -0.053 0.000 0.996 474 N HN 0.548 nan 8.380 nan 0.000 0.503 475 C N 0.553 119.752 119.300 -0.168 0.000 4.356 475 C HA -0.161 4.299 4.460 0.000 0.000 0.296 475 C C -0.351 173.952 174.990 -1.145 0.000 1.424 475 C CA 0.487 59.248 59.018 -0.428 0.000 2.000 475 C CB -2.911 24.695 27.740 -0.222 0.000 1.262 475 C HN 0.618 nan 8.230 nan 0.000 0.789 476 Q N -2.470 116.689 119.800 -1.068 0.000 2.462 476 Q HA 0.476 4.816 4.340 0.000 0.000 0.285 476 Q C -1.089 174.619 176.000 -0.488 0.000 1.035 476 Q CA -0.759 54.472 55.803 -0.953 0.000 0.799 476 Q CB 1.331 29.815 28.738 -0.423 0.000 1.452 476 Q HN 0.325 nan 8.270 nan 0.000 0.404 477 Y N 0.914 121.206 120.300 -0.014 0.000 2.632 477 Y HA 0.189 4.739 4.550 0.000 0.000 0.336 477 Y C 1.341 177.284 175.900 0.071 0.000 1.237 477 Y CA -0.199 58.000 58.100 0.165 0.000 1.595 477 Y CB -0.002 38.596 38.460 0.230 0.000 1.508 477 Y HN 0.955 nan 8.280 nan 0.000 0.480 478 G N 2.118 111.017 108.800 0.165 0.000 2.440 478 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 478 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 478 G C 1.621 176.632 174.900 0.184 0.000 1.154 478 G CA 0.236 45.394 45.100 0.097 0.000 0.767 478 G HN 0.774 nan 8.290 nan 0.000 0.552 479 W N 0.790 122.119 121.300 0.048 0.000 2.321 479 W HA -0.157 4.503 4.660 0.000 0.000 0.306 479 W C 1.988 178.536 176.519 0.049 0.000 1.217 479 W CA 1.022 58.390 57.345 0.039 0.000 1.257 479 W CB 0.038 29.519 29.460 0.036 0.000 1.145 479 W HN 0.133 nan 8.180 nan 0.000 0.509 480 I N 0.568 121.281 120.570 0.239 0.000 2.480 480 I HA -0.193 3.977 4.170 0.000 0.000 0.251 480 I C 2.252 178.421 176.117 0.087 0.000 1.124 480 I CA 1.270 62.649 61.300 0.133 0.000 1.444 480 I CB -1.572 36.534 38.000 0.176 0.000 1.098 480 I HN -0.016 nan 8.210 nan 0.000 0.428 481 K N 1.339 121.772 120.400 0.056 0.000 2.044 481 K HA -0.233 4.088 4.320 0.000 0.000 0.210 481 K C 1.598 178.215 176.600 0.030 0.000 1.049 481 K CA 1.973 58.218 56.287 -0.069 0.000 0.927 481 K CB 0.047 32.365 32.500 -0.303 0.000 0.713 481 K HN 0.192 nan 8.250 nan 0.000 0.443 482 D N 0.635 121.027 120.400 -0.013 0.000 2.144 482 D HA -0.138 4.502 4.640 0.000 0.000 0.199 482 D C 1.745 178.035 176.300 -0.017 0.000 0.984 482 D CA 1.166 55.160 54.000 -0.010 0.000 0.834 482 D CB -0.088 40.660 40.800 -0.087 0.000 0.955 482 D HN 0.418 nan 8.370 nan 0.000 0.465 483 E N 0.625 120.781 120.200 -0.073 0.000 2.051 483 E HA -0.169 4.181 4.350 0.000 0.000 0.192 483 E C 2.186 178.805 176.600 0.032 0.000 0.991 483 E CA 0.744 57.106 56.400 -0.063 0.000 0.799 483 E CB -0.074 29.575 29.700 -0.086 0.000 0.748 483 E HN 0.373 nan 8.360 nan 0.000 0.449 484 Q N 0.533 120.402 119.800 0.115 0.000 2.124 484 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 484 Q C 2.183 178.265 176.000 0.135 0.000 0.977 484 Q CA 1.192 57.091 55.803 0.160 0.000 0.850 484 Q CB -0.112 28.810 28.738 0.308 0.000 0.901 484 Q HN 0.332 nan 8.270 nan 0.000 0.429 485 E N 0.726 121.082 120.200 0.262 0.000 2.118 485 E HA -0.225 4.125 4.350 0.000 0.000 0.195 485 E C 1.042 177.672 176.600 0.050 0.000 0.992 485 E CA 1.326 57.826 56.400 0.166 0.000 0.804 485 E CB 0.192 30.060 29.700 0.279 0.000 0.741 485 E HN 0.292 nan 8.360 nan 0.000 0.458 486 D N -0.774 119.651 120.400 0.042 0.000 2.162 486 D HA -0.090 4.550 4.640 0.000 0.000 0.203 486 D C 1.968 178.264 176.300 -0.006 0.000 0.967 486 D CA 1.938 55.943 54.000 0.009 0.000 0.840 486 D CB 0.000 40.791 40.800 -0.014 0.000 0.972 486 D HN 0.379 nan 8.370 nan 0.000 0.482 487 T N -2.968 111.583 114.554 -0.005 0.000 2.999 487 T HA 0.113 4.463 4.350 0.000 0.000 0.247 487 T C 0.730 175.420 174.700 -0.017 0.000 1.012 487 T CA -0.418 61.676 62.100 -0.010 0.000 1.048 487 T CB 0.164 69.029 68.868 -0.006 0.000 1.020 487 T HN -0.211 nan 8.240 nan 0.000 0.478 488 N N 2.097 120.784 118.700 -0.022 0.000 2.529 488 N HA 0.359 5.100 4.740 0.000 0.000 0.278 488 N C 0.881 176.352 175.510 -0.065 0.000 1.146 488 N CA -0.433 52.596 53.050 -0.035 0.000 0.980 488 N CB 1.176 39.648 38.487 -0.026 0.000 1.124 488 N HN 0.099 nan 8.380 nan 0.000 0.458 489 Q N 0.469 120.237 119.800 -0.053 0.000 2.163 489 Q HA 0.151 4.491 4.340 0.000 0.000 0.198 489 Q C -0.064 175.889 176.000 -0.079 0.000 0.954 489 Q CA 1.101 56.869 55.803 -0.059 0.000 0.851 489 Q CB 0.013 28.728 28.738 -0.038 0.000 0.928 489 Q HN 0.558 nan 8.270 nan 0.000 0.459 490 N N 1.213 119.870 118.700 -0.072 0.000 2.448 490 N HA 0.089 4.829 4.740 0.000 0.000 0.274 490 N C -0.341 175.094 175.510 -0.125 0.000 1.239 490 N CA -0.400 52.605 53.050 -0.075 0.000 0.982 490 N CB 0.355 38.819 38.487 -0.038 0.000 1.199 490 N HN -0.044 nan 8.380 nan 0.000 0.576 491 D N 0.119 120.457 120.400 -0.103 0.000 2.378 491 D HA 0.071 4.711 4.640 0.000 0.000 0.238 491 D C 0.140 176.391 176.300 -0.083 0.000 1.180 491 D CA 0.292 54.210 54.000 -0.137 0.000 0.895 491 D CB 0.141 40.919 40.800 -0.037 0.000 1.192 491 D HN 0.174 nan 8.370 nan 0.000 0.438 492 F N 0.719 120.678 119.950 0.015 0.000 2.629 492 F HA 0.085 4.612 4.527 0.000 0.000 0.369 492 F C 0.963 176.784 175.800 0.035 0.000 1.125 492 F CA 0.361 58.376 58.000 0.024 0.000 1.330 492 F CB -0.088 38.922 39.000 0.017 0.000 1.071 492 F HN 0.101 nan 8.300 nan 0.000 0.595 493 I N 1.315 122.045 120.570 0.266 0.000 2.644 493 I HA 0.489 4.659 4.170 0.000 0.000 0.291 493 I C 0.372 176.600 176.117 0.185 0.000 1.180 493 I CA -0.132 61.275 61.300 0.177 0.000 1.040 493 I CB 1.751 39.824 38.000 0.122 0.000 1.255 493 I HN 0.676 nan 8.210 nan 0.000 0.422 494 G N 4.343 113.253 108.800 0.183 0.000 2.168 494 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 494 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 494 G C 0.455 175.568 174.900 0.354 0.000 0.977 494 G CA 0.743 45.989 45.100 0.243 0.000 0.659 494 G HN 1.344 nan 8.290 nan 0.000 0.533 495 V N -3.599 116.454 119.914 0.231 0.000 3.645 495 V HA 0.524 4.644 4.120 0.000 0.000 0.275 495 V C 0.463 176.467 176.094 -0.149 0.000 1.356 495 V CA 0.756 63.158 62.300 0.171 0.000 1.051 495 V CB 0.390 32.267 31.823 0.092 0.000 0.828 495 V HN 0.349 nan 8.190 nan 0.000 0.441 496 E N 1.457 121.566 120.200 -0.152 0.000 2.210 496 E HA 0.667 5.017 4.350 0.000 0.000 0.266 496 E C -1.341 175.151 176.600 -0.180 0.000 0.883 496 E CA -0.575 55.621 56.400 -0.340 0.000 0.761 496 E CB 2.340 31.907 29.700 -0.222 0.000 1.156 496 E HN 0.504 nan 8.360 nan 0.000 0.412 497 F N -0.806 119.075 119.950 -0.114 0.000 2.726 497 F HA 0.520 5.048 4.527 0.000 0.000 0.324 497 F C -0.383 175.376 175.800 -0.069 0.000 1.140 497 F CA -1.601 56.344 58.000 -0.092 0.000 0.964 497 F CB 0.341 39.257 39.000 -0.140 0.000 1.399 497 F HN 0.071 nan 8.300 nan 0.000 0.491 498 N N 0.774 119.650 118.700 0.294 0.000 2.508 498 N HA 0.127 4.867 4.740 0.000 0.000 0.264 498 N C -1.093 174.543 175.510 0.210 0.000 1.216 498 N CA -0.159 52.990 53.050 0.165 0.000 0.943 498 N CB 0.370 38.911 38.487 0.090 0.000 1.113 498 N HN 0.822 nan 8.380 nan 0.000 0.447 499 D N 0.482 120.951 120.400 0.115 0.000 2.443 499 D HA 0.145 4.785 4.640 0.000 0.000 0.239 499 D C -0.502 175.838 176.300 0.067 0.000 1.136 499 D CA 0.201 54.264 54.000 0.106 0.000 0.879 499 D CB 0.422 41.255 40.800 0.056 0.000 1.195 499 D HN 0.306 nan 8.370 nan 0.000 0.443 500 I N 2.746 123.361 120.570 0.075 0.000 2.406 500 I HA 0.160 4.330 4.170 0.000 0.000 0.290 500 I C -0.474 175.617 176.117 -0.043 0.000 0.999 500 I CA -0.892 60.365 61.300 -0.071 0.000 1.124 500 I CB 1.807 39.663 38.000 -0.241 0.000 1.289 500 I HN 0.398 nan 8.210 nan 0.000 0.441 501 D N 5.966 126.308 120.400 -0.096 0.000 2.411 501 D HA 0.147 4.787 4.640 0.000 0.000 0.225 501 D C 0.558 176.812 176.300 -0.077 0.000 1.156 501 D CA -0.046 53.940 54.000 -0.024 0.000 0.874 501 D CB 0.514 41.300 40.800 -0.024 0.000 1.034 501 D HN 0.302 nan 8.370 nan 0.000 0.502 502 F N 1.501 121.448 119.950 -0.006 0.000 2.502 502 F HA -0.140 4.387 4.527 0.000 0.000 0.298 502 F C 2.674 178.457 175.800 -0.029 0.000 1.111 502 F CA 0.784 58.776 58.000 -0.013 0.000 1.445 502 F CB 0.070 39.071 39.000 0.001 0.000 1.081 502 F HN 0.395 nan 8.300 nan 0.000 0.558 503 S N -0.100 115.666 115.700 0.110 0.000 2.402 503 S HA -0.176 4.294 4.470 0.000 0.000 0.229 503 S C 1.898 176.480 174.600 -0.029 0.000 1.021 503 S CA 0.923 59.137 58.200 0.024 0.000 0.974 503 S CB -0.328 62.874 63.200 0.005 0.000 0.800 503 S HN 0.387 nan 8.310 nan 0.000 0.484 504 K N 0.429 120.802 120.400 -0.044 0.000 2.116 504 K HA 0.149 4.469 4.320 0.000 0.000 0.203 504 K C 2.007 178.547 176.600 -0.099 0.000 1.052 504 K CA 0.935 57.178 56.287 -0.073 0.000 0.952 504 K CB -0.250 32.205 32.500 -0.076 0.000 0.729 504 K HN 0.303 nan 8.250 nan 0.000 0.446 505 I N 1.693 122.183 120.570 -0.132 0.000 2.163 505 I HA -0.267 3.903 4.170 0.000 0.000 0.243 505 I C 2.526 178.591 176.117 -0.086 0.000 1.085 505 I CA 1.447 62.658 61.300 -0.149 0.000 1.347 505 I CB -1.464 36.382 38.000 -0.256 0.000 1.044 505 I HN 0.101 nan 8.210 nan 0.000 0.408 506 A N 0.555 123.357 122.820 -0.030 0.000 1.883 506 A HA -0.292 4.028 4.320 0.000 0.000 0.217 506 A C 2.159 179.692 177.584 -0.084 0.000 1.186 506 A CA 2.247 54.265 52.037 -0.032 0.000 0.624 506 A CB -0.874 18.124 19.000 -0.005 0.000 0.822 506 A HN 0.427 nan 8.150 nan 0.000 0.444 507 D N -0.415 119.933 120.400 -0.087 0.000 2.133 507 D HA -0.105 4.535 4.640 0.000 0.000 0.195 507 D C 1.997 178.201 176.300 -0.161 0.000 0.997 507 D CA 1.746 55.694 54.000 -0.086 0.000 0.840 507 D CB -0.633 40.126 40.800 -0.069 0.000 0.947 507 D HN 0.328 nan 8.370 nan 0.000 0.452 508 G N -0.029 108.657 108.800 -0.190 0.000 2.432 508 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 508 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 508 G C 1.561 176.162 174.900 -0.500 0.000 1.135 508 G CA 1.360 46.295 45.100 -0.276 0.000 0.767 508 G HN 0.417 nan 8.290 nan 0.000 0.550 509 V N -3.706 115.982 119.914 -0.377 0.000 3.647 509 V HA 0.276 4.396 4.120 0.000 0.000 0.279 509 V C 0.819 176.727 176.094 -0.311 0.000 1.314 509 V CA 0.192 62.283 62.300 -0.349 0.000 1.125 509 V CB -1.036 30.703 31.823 -0.139 0.000 0.907 509 V HN 0.515 nan 8.190 nan 0.000 0.434 510 H N -1.128 117.913 119.070 -0.047 0.000 2.933 510 H HA -0.130 4.426 4.556 0.000 0.000 0.301 510 H C -0.126 175.166 175.328 -0.061 0.000 1.280 510 H CA 1.176 57.190 56.048 -0.055 0.000 1.155 510 H CB -1.634 28.095 29.762 -0.056 0.000 1.379 510 H HN 0.690 nan 8.280 nan 0.000 0.419 511 M N 0.949 120.545 119.600 -0.006 0.000 2.311 511 M HA 0.264 4.744 4.480 0.000 0.000 0.325 511 M C 0.041 176.310 176.300 -0.052 0.000 1.061 511 M CA -0.539 54.748 55.300 -0.023 0.000 0.957 511 M CB 1.403 33.987 32.600 -0.026 0.000 1.646 511 M HN 0.148 nan 8.290 nan 0.000 0.434 512 Q N 2.497 122.258 119.800 -0.064 0.000 2.330 512 Q HA 0.458 4.799 4.340 0.000 0.000 0.279 512 Q C -0.800 175.081 176.000 -0.199 0.000 1.024 512 Q CA 0.202 55.918 55.803 -0.145 0.000 0.900 512 Q CB 0.837 29.508 28.738 -0.112 0.000 1.221 512 Q HN 0.731 nan 8.270 nan 0.000 0.396 513 A N 2.456 125.044 122.820 -0.387 0.000 2.609 513 A HA 0.819 5.139 4.320 0.000 0.000 0.291 513 A C -1.743 175.438 177.584 -0.672 0.000 1.096 513 A CA -0.668 51.166 52.037 -0.338 0.000 0.684 513 A CB 1.237 20.162 19.000 -0.124 0.000 1.282 513 A HN 0.552 nan 8.150 nan 0.000 0.412 514 F N -0.467 119.451 119.950 -0.053 0.000 2.599 514 F HA 0.789 5.316 4.527 0.000 0.000 0.311 514 F C 0.103 175.876 175.800 -0.045 0.000 1.076 514 F CA -0.440 57.528 58.000 -0.054 0.000 0.937 514 F CB 2.448 41.396 39.000 -0.086 0.000 1.282 514 F HN 0.665 nan 8.300 nan 0.000 0.460 515 R N 1.684 122.276 120.500 0.154 0.000 2.534 515 R HA 0.855 5.195 4.340 0.000 0.000 0.301 515 R C -1.885 174.461 176.300 0.077 0.000 0.961 515 R CA -0.722 55.431 56.100 0.088 0.000 0.871 515 R CB 1.781 32.116 30.300 0.060 0.000 1.170 515 R HN 0.627 nan 8.270 nan 0.000 0.446 516 V N 2.197 122.139 119.914 0.046 0.000 2.823 516 V HA 0.610 4.730 4.120 0.000 0.000 0.312 516 V C -0.600 175.502 176.094 0.014 0.000 1.072 516 V CA -0.764 61.556 62.300 0.033 0.000 0.937 516 V CB 2.152 33.996 31.823 0.035 0.000 1.013 516 V HN 1.019 nan 8.190 nan 0.000 0.430 517 N N 0.619 119.325 118.700 0.011 0.000 2.116 517 N HA 0.247 4.987 4.740 0.000 0.000 0.230 517 N C -0.371 175.135 175.510 -0.006 0.000 1.326 517 N CA -0.487 52.563 53.050 -0.001 0.000 0.867 517 N CB 0.556 39.044 38.487 0.002 0.000 1.174 517 N HN 0.774 nan 8.380 nan 0.000 0.506 518 K N 0.208 120.607 120.400 -0.002 0.000 2.371 518 K HA 0.496 4.816 4.320 0.000 0.000 0.251 518 K C 0.740 177.334 176.600 -0.009 0.000 0.934 518 K CA -0.693 55.590 56.287 -0.006 0.000 0.798 518 K CB 2.573 35.072 32.500 -0.002 0.000 1.204 518 K HN -0.200 nan 8.250 nan 0.000 0.427 519 I N 2.040 122.599 120.570 -0.018 0.000 2.264 519 I HA -0.322 3.848 4.170 0.000 0.000 0.248 519 I C 2.204 178.308 176.117 -0.023 0.000 1.111 519 I CA 1.442 62.725 61.300 -0.027 0.000 1.382 519 I CB -0.111 37.870 38.000 -0.032 0.000 1.060 519 I HN 0.723 nan 8.210 nan 0.000 0.418 520 E N 1.204 121.395 120.200 -0.015 0.000 2.338 520 E HA -0.250 4.100 4.350 0.000 0.000 0.197 520 E C 1.675 178.272 176.600 -0.005 0.000 1.007 520 E CA 0.966 57.359 56.400 -0.013 0.000 0.849 520 E CB -0.389 29.305 29.700 -0.010 0.000 0.774 520 E HN 0.639 nan 8.360 nan 0.000 0.506 521 Q N 0.442 120.244 119.800 0.003 0.000 2.311 521 Q HA 0.110 4.450 4.340 0.000 0.000 0.203 521 Q C 2.370 178.385 176.000 0.026 0.000 0.954 521 Q CA 0.379 56.189 55.803 0.011 0.000 0.885 521 Q CB -0.006 28.743 28.738 0.017 0.000 0.963 521 Q HN 0.287 nan 8.270 nan 0.000 0.471 522 L N 0.709 121.954 121.223 0.036 0.000 1.989 522 L HA -0.172 4.168 4.340 0.000 0.000 0.211 522 L C -0.654 176.286 176.870 0.117 0.000 1.071 522 L CA 1.409 56.310 54.840 0.101 0.000 0.749 522 L CB -1.605 40.440 42.059 -0.024 0.000 0.890 522 L HN 0.162 nan 8.230 nan 0.000 0.431 523 P HA -0.178 nan 4.420 nan 0.000 0.215 523 P C 1.141 178.461 177.300 0.033 0.000 1.153 523 P CA 1.467 64.580 63.100 0.022 0.000 0.853 523 P CB 0.019 31.715 31.700 -0.007 0.000 0.788 524 D N -1.035 119.365 120.400 -0.000 0.000 2.149 524 D HA -0.078 4.562 4.640 0.000 0.000 0.201 524 D C 1.939 178.162 176.300 -0.128 0.000 0.972 524 D CA 0.878 54.855 54.000 -0.039 0.000 0.835 524 D CB -0.093 40.688 40.800 -0.033 0.000 0.966 524 D HN -0.086 nan 8.370 nan 0.000 0.476 525 V N 0.477 120.287 119.914 -0.173 0.000 2.307 525 V HA -0.213 3.907 4.120 0.000 0.000 0.245 525 V C 2.181 177.985 176.094 -0.483 0.000 1.045 525 V CA 1.210 63.211 62.300 -0.499 0.000 1.024 525 V CB -0.547 31.023 31.823 -0.422 0.000 0.651 525 V HN 0.100 nan 8.190 nan 0.000 0.449 526 F N 0.086 119.894 119.950 -0.236 0.000 2.234 526 F HA -0.084 4.443 4.527 0.000 0.000 0.299 526 F C 2.525 178.266 175.800 -0.098 0.000 1.087 526 F CA 1.246 59.168 58.000 -0.131 0.000 1.340 526 F CB -0.303 38.664 39.000 -0.055 0.000 1.031 526 F HN 0.124 nan 8.300 nan 0.000 0.500 527 E N 0.252 120.485 120.200 0.054 0.000 2.077 527 E HA -0.213 4.137 4.350 0.000 0.000 0.193 527 E C 2.169 178.752 176.600 -0.030 0.000 0.989 527 E CA 1.147 57.558 56.400 0.019 0.000 0.800 527 E CB -0.513 29.194 29.700 0.012 0.000 0.746 527 E HN 0.545 nan 8.360 nan 0.000 0.452 528 Q N 0.062 119.792 119.800 -0.117 0.000 2.084 528 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 528 Q C 2.177 178.149 176.000 -0.046 0.000 0.978 528 Q CA 1.430 57.178 55.803 -0.091 0.000 0.844 528 Q CB -0.175 28.454 28.738 -0.180 0.000 0.898 528 Q HN 0.222 nan 8.270 nan 0.000 0.426 529 A N 1.608 124.331 122.820 -0.161 0.000 1.902 529 A HA -0.235 4.085 4.320 0.000 0.000 0.217 529 A C 2.021 179.591 177.584 -0.022 0.000 1.181 529 A CA 1.657 53.656 52.037 -0.063 0.000 0.623 529 A CB -0.490 18.384 19.000 -0.209 0.000 0.818 529 A HN 0.234 nan 8.150 nan 0.000 0.443 530 K N -0.324 120.073 120.400 -0.006 0.000 2.074 530 K HA -0.169 4.151 4.320 0.000 0.000 0.209 530 K C 2.089 178.688 176.600 -0.002 0.000 1.048 530 K CA 1.459 57.753 56.287 0.011 0.000 0.926 530 K CB -0.315 32.219 32.500 0.057 0.000 0.713 530 K HN 0.394 nan 8.250 nan 0.000 0.444 531 A N 0.951 123.781 122.820 0.017 0.000 1.897 531 A HA -0.052 4.268 4.320 0.000 0.000 0.215 531 A C 2.055 179.671 177.584 0.054 0.000 1.181 531 A CA 1.109 53.166 52.037 0.033 0.000 0.620 531 A CB -0.421 18.607 19.000 0.047 0.000 0.821 531 A HN 0.320 nan 8.150 nan 0.000 0.443 532 I N 0.104 120.715 120.570 0.068 0.000 2.208 532 I HA -0.273 3.897 4.170 0.000 0.000 0.245 532 I C 2.589 178.739 176.117 0.053 0.000 1.097 532 I CA 1.191 62.544 61.300 0.088 0.000 1.363 532 I CB -0.160 37.907 38.000 0.111 0.000 1.051 532 I HN 0.320 nan 8.210 nan 0.000 0.413 533 A N -0.163 122.655 122.820 -0.003 0.000 2.255 533 A HA -0.081 4.239 4.320 0.000 0.000 0.206 533 A C 1.941 179.460 177.584 -0.108 0.000 1.193 533 A CA 0.513 52.517 52.037 -0.055 0.000 0.794 533 A CB -0.295 18.640 19.000 -0.108 0.000 0.794 533 A HN 0.361 nan 8.150 nan 0.000 0.481 534 Q N -0.718 119.001 119.800 -0.135 0.000 2.291 534 Q HA -0.115 4.225 4.340 0.000 0.000 0.205 534 Q C 0.637 176.256 176.000 -0.635 0.000 0.970 534 Q CA 1.693 57.283 55.803 -0.356 0.000 0.876 534 Q CB -0.173 28.340 28.738 -0.374 0.000 0.935 534 Q HN 0.965 nan 8.270 nan 0.000 0.455 535 H N -1.909 117.166 119.070 0.009 0.000 3.580 535 H HA 0.260 4.816 4.556 0.000 0.000 0.245 535 H C -0.097 175.258 175.328 0.045 0.000 1.015 535 H CA -0.112 55.950 56.048 0.022 0.000 1.113 535 H CB 1.139 30.914 29.762 0.022 0.000 1.469 535 H HN -0.095 nan 8.280 nan 0.000 0.554 536 E N 0.945 121.223 120.200 0.131 0.000 2.408 536 E HA 0.271 4.621 4.350 0.000 0.000 0.275 536 E C -2.774 173.849 176.600 0.037 0.000 0.935 536 E CA -2.216 54.241 56.400 0.095 0.000 0.775 536 E CB 2.393 32.152 29.700 0.098 0.000 1.277 536 E HN -0.047 nan 8.360 nan 0.000 0.455 537 P HA 0.158 nan 4.420 nan 0.000 0.270 537 P C -0.450 176.852 177.300 0.003 0.000 1.223 537 P CA -0.217 62.881 63.100 -0.003 0.000 0.785 537 P CB 1.020 32.716 31.700 -0.008 0.000 0.923 538 V N 2.450 122.365 119.914 0.001 0.000 3.087 538 V HA 0.604 4.724 4.120 0.000 0.000 0.306 538 V C -1.535 174.572 176.094 0.021 0.000 1.187 538 V CA -1.061 61.252 62.300 0.023 0.000 0.999 538 V CB 2.272 34.134 31.823 0.064 0.000 1.049 538 V HN 0.476 nan 8.190 nan 0.000 0.431 539 L N 5.369 126.614 121.223 0.036 0.000 2.410 539 L HA 0.720 5.060 4.340 0.000 0.000 0.270 539 L C -1.388 175.517 176.870 0.058 0.000 0.983 539 L CA -0.415 54.445 54.840 0.033 0.000 0.822 539 L CB 1.839 43.922 42.059 0.040 0.000 1.285 539 L HN 0.688 nan 8.230 nan 0.000 0.409 540 I N 3.799 124.359 120.570 -0.016 0.000 2.362 540 I HA 0.300 4.470 4.170 0.000 0.000 0.289 540 I C -0.931 175.150 176.117 -0.059 0.000 0.994 540 I CA -0.423 60.844 61.300 -0.055 0.000 1.158 540 I CB 1.623 39.428 38.000 -0.323 0.000 1.315 540 I HN 0.497 nan 8.210 nan 0.000 0.451 541 D N 6.420 126.820 120.400 0.001 0.000 2.396 541 D HA 0.432 5.072 4.640 0.000 0.000 0.225 541 D C -0.383 175.898 176.300 -0.032 0.000 1.121 541 D CA -0.211 53.790 54.000 0.003 0.000 0.853 541 D CB 1.364 42.229 40.800 0.109 0.000 1.043 541 D HN 0.573 nan 8.370 nan 0.000 0.500 542 A N 4.248 126.995 122.820 -0.122 0.000 2.294 542 A HA 0.424 4.744 4.320 0.000 0.000 0.316 542 A C -0.149 177.385 177.584 -0.083 0.000 1.359 542 A CA -0.698 51.257 52.037 -0.135 0.000 0.956 542 A CB 0.490 19.307 19.000 -0.305 0.000 1.155 542 A HN 0.409 nan 8.150 nan 0.000 0.544 543 V N 5.443 125.339 119.914 -0.029 0.000 2.397 543 V HA 0.222 4.342 4.120 0.000 0.000 0.262 543 V C 0.398 176.479 176.094 -0.022 0.000 1.047 543 V CA 0.335 62.630 62.300 -0.008 0.000 1.003 543 V CB -0.628 31.198 31.823 0.006 0.000 1.037 543 V HN 0.733 nan 8.190 nan 0.000 0.480 544 I N 2.206 122.766 120.570 -0.018 0.000 2.863 544 I HA 0.783 4.954 4.170 0.000 0.000 0.311 544 I C 0.685 176.778 176.117 -0.040 0.000 1.026 544 I CA -0.624 60.658 61.300 -0.030 0.000 1.077 544 I CB 2.082 40.078 38.000 -0.006 0.000 1.262 544 I HN 0.554 nan 8.210 nan 0.000 0.461 545 T N 0.234 114.754 114.554 -0.057 0.000 2.748 545 T HA 0.297 4.647 4.350 0.000 0.000 0.304 545 T C 0.927 175.589 174.700 -0.064 0.000 1.041 545 T CA -0.122 61.944 62.100 -0.057 0.000 1.033 545 T CB 0.924 69.760 68.868 -0.053 0.000 0.995 545 T HN 0.953 nan 8.240 nan 0.000 0.536 546 G N 0.372 109.133 108.800 -0.064 0.000 3.440 546 G HA2 0.192 4.152 3.960 0.000 0.000 0.263 546 G HA3 0.192 4.152 3.960 0.000 0.000 0.263 546 G C -0.100 174.772 174.900 -0.047 0.000 1.236 546 G CA -0.520 44.536 45.100 -0.072 0.000 0.927 546 G HN 0.753 nan 8.290 nan 0.000 0.530 547 D N 0.735 121.116 120.400 -0.032 0.000 2.425 547 D HA 0.060 4.700 4.640 0.000 0.000 0.247 547 D C 0.563 176.899 176.300 0.060 0.000 1.147 547 D CA 0.157 54.164 54.000 0.011 0.000 0.879 547 D CB 1.412 42.235 40.800 0.038 0.000 1.179 547 D HN 0.170 nan 8.370 nan 0.000 0.456 548 R N 3.495 124.060 120.500 0.109 0.000 2.347 548 R HA 0.168 4.508 4.340 0.000 0.000 0.304 548 R C -2.205 174.297 176.300 0.337 0.000 1.072 548 R CA -1.165 55.052 56.100 0.195 0.000 0.980 548 R CB 0.532 30.974 30.300 0.237 0.000 0.986 548 R HN 0.200 nan 8.270 nan 0.000 0.448 549 P HA -0.050 nan 4.420 nan 0.000 0.271 549 P C -0.299 177.081 177.300 0.133 0.000 1.218 549 P CA -0.249 63.044 63.100 0.323 0.000 0.780 549 P CB 0.594 32.469 31.700 0.292 0.000 0.901 550 L N 4.478 125.733 121.223 0.052 0.000 2.667 550 L HA 0.043 4.383 4.340 0.000 0.000 0.278 550 L C -1.876 174.833 176.870 -0.268 0.000 1.217 550 L CA -0.994 53.590 54.840 -0.427 0.000 0.935 550 L CB -0.264 41.740 42.059 -0.092 0.000 1.193 550 L HN 0.272 nan 8.230 nan 0.000 0.493 551 P HA 0.108 nan 4.420 nan 0.000 0.280 551 P C 0.030 177.279 177.300 -0.086 0.000 1.386 551 P CA -0.293 62.707 63.100 -0.167 0.000 0.899 551 P CB 1.428 33.044 31.700 -0.140 0.000 1.098 552 A N 4.487 127.255 122.820 -0.087 0.000 2.070 552 A HA -0.164 4.156 4.320 0.000 0.000 0.220 552 A C 1.777 179.269 177.584 -0.154 0.000 1.159 552 A CA 1.254 53.207 52.037 -0.140 0.000 0.656 552 A CB -0.652 18.229 19.000 -0.198 0.000 0.800 552 A HN 0.552 nan 8.150 nan 0.000 0.453 553 E N 0.186 120.307 120.200 -0.133 0.000 2.489 553 E HA -0.017 4.333 4.350 0.000 0.000 0.193 553 E C 0.134 176.664 176.600 -0.116 0.000 1.057 553 E CA 0.487 56.807 56.400 -0.132 0.000 0.866 553 E CB -0.081 29.535 29.700 -0.140 0.000 0.916 553 E HN 0.547 nan 8.360 nan 0.000 0.500 554 K N 1.344 121.684 120.400 -0.100 0.000 3.239 554 K HA 0.340 4.660 4.320 0.000 0.000 0.204 554 K C -0.303 176.203 176.600 -0.157 0.000 1.126 554 K CA -0.288 55.949 56.287 -0.083 0.000 0.948 554 K CB 0.801 33.295 32.500 -0.011 0.000 0.818 554 K HN 0.015 nan 8.250 nan 0.000 0.480 555 L N 1.952 123.008 121.223 -0.279 0.000 2.453 555 L HA 0.124 4.464 4.340 0.000 0.000 0.272 555 L C 0.523 176.956 176.870 -0.729 0.000 1.182 555 L CA 0.202 54.682 54.840 -0.600 0.000 0.858 555 L CB 0.190 42.012 42.059 -0.394 0.000 1.120 555 L HN 0.070 nan 8.230 nan 0.000 0.474 556 R N 6.041 125.746 120.500 -1.324 0.000 2.494 556 R HA 0.344 4.684 4.340 0.000 0.000 0.284 556 R C -0.116 175.847 176.300 -0.561 0.000 1.525 556 R CA -0.116 55.557 56.100 -0.712 0.000 1.460 556 R CB 0.741 30.790 30.300 -0.418 0.000 1.134 556 R HN 0.712 nan 8.270 nan 0.000 0.592 557 L N -0.820 120.184 121.223 -0.366 0.000 3.076 557 L HA 0.259 4.599 4.340 0.000 0.000 0.271 557 L C 0.165 176.956 176.870 -0.130 0.000 1.152 557 L CA -0.007 54.718 54.840 -0.193 0.000 0.996 557 L CB 0.755 42.716 42.059 -0.163 0.000 1.453 557 L HN 0.178 nan 8.230 nan 0.000 0.571 558 D N -0.146 120.170 120.400 -0.140 0.000 2.329 558 D HA 0.192 4.833 4.640 0.000 0.000 0.232 558 D C 0.806 177.055 176.300 -0.085 0.000 1.088 558 D CA 0.075 54.012 54.000 -0.106 0.000 0.835 558 D CB 2.009 42.747 40.800 -0.104 0.000 1.078 558 D HN -0.174 nan 8.370 nan 0.000 0.495 559 S N 2.285 117.943 115.700 -0.070 0.000 2.419 559 S HA -0.130 4.340 4.470 0.000 0.000 0.233 559 S C 1.782 176.352 174.600 -0.049 0.000 1.016 559 S CA 1.077 59.244 58.200 -0.054 0.000 0.974 559 S CB 0.126 63.297 63.200 -0.048 0.000 0.786 559 S HN 0.661 nan 8.310 nan 0.000 0.492 560 A N 0.593 123.382 122.820 -0.051 0.000 2.067 560 A HA 0.169 4.489 4.320 0.000 0.000 0.217 560 A C 1.905 179.462 177.584 -0.045 0.000 1.156 560 A CA 0.845 52.856 52.037 -0.043 0.000 0.683 560 A CB -0.266 18.710 19.000 -0.040 0.000 0.808 560 A HN 0.510 nan 8.150 nan 0.000 0.455 561 M N -1.626 117.939 119.600 -0.057 0.000 2.449 561 M HA 0.187 4.667 4.480 0.000 0.000 0.262 561 M C -0.301 175.960 176.300 -0.065 0.000 1.152 561 M CA 0.280 55.543 55.300 -0.061 0.000 1.104 561 M CB 0.768 33.324 32.600 -0.073 0.000 1.416 561 M HN 0.135 nan 8.290 nan 0.000 0.519 562 S N 0.555 116.214 115.700 -0.068 0.000 2.548 562 S HA 0.452 4.922 4.470 0.000 0.000 0.286 562 S C -0.142 174.431 174.600 -0.046 0.000 1.098 562 S CA -0.955 57.206 58.200 -0.065 0.000 0.930 562 S CB 2.014 65.157 63.200 -0.094 0.000 1.070 562 S HN 0.380 nan 8.310 nan 0.000 0.480 563 S N 1.496 117.176 115.700 -0.033 0.000 2.579 563 S HA 0.417 4.887 4.470 0.000 0.000 0.275 563 S C 1.413 176.003 174.600 -0.016 0.000 1.345 563 S CA -0.193 57.994 58.200 -0.021 0.000 1.031 563 S CB 0.677 63.869 63.200 -0.014 0.000 0.892 563 S HN 0.912 nan 8.310 nan 0.000 0.529 564 A N 2.779 125.592 122.820 -0.012 0.000 1.940 564 A HA 0.082 4.402 4.320 0.000 0.000 0.219 564 A C 2.424 180.012 177.584 0.006 0.000 1.176 564 A CA 1.907 53.941 52.037 -0.005 0.000 0.631 564 A CB -1.669 17.327 19.000 -0.007 0.000 0.814 564 A HN 1.400 nan 8.150 nan 0.000 0.446 565 A N -0.016 122.808 122.820 0.006 0.000 1.877 565 A HA -0.195 4.125 4.320 0.000 0.000 0.216 565 A C 1.792 179.394 177.584 0.029 0.000 1.186 565 A CA 1.992 54.038 52.037 0.015 0.000 0.620 565 A CB -0.633 18.372 19.000 0.009 0.000 0.822 565 A HN 0.449 nan 8.150 nan 0.000 0.443 566 D N -0.072 120.343 120.400 0.025 0.000 2.117 566 D HA -0.101 4.539 4.640 0.000 0.000 0.197 566 D C 1.824 178.172 176.300 0.079 0.000 0.987 566 D CA 1.089 55.115 54.000 0.044 0.000 0.829 566 D CB -0.307 40.501 40.800 0.013 0.000 0.961 566 D HN 0.534 nan 8.370 nan 0.000 0.460 567 I N 0.913 121.510 120.570 0.045 0.000 2.202 567 I HA -0.200 3.970 4.170 0.000 0.000 0.242 567 I C 2.239 178.433 176.117 0.129 0.000 1.091 567 I CA 0.929 62.269 61.300 0.067 0.000 1.368 567 I CB -0.112 37.895 38.000 0.011 0.000 1.058 567 I HN -0.102 nan 8.210 nan 0.000 0.410 568 E N 0.993 121.241 120.200 0.080 0.000 2.110 568 E HA -0.187 4.163 4.350 0.000 0.000 0.193 568 E C 2.294 178.942 176.600 0.079 0.000 0.988 568 E CA 1.437 57.879 56.400 0.070 0.000 0.804 568 E CB -0.328 29.394 29.700 0.038 0.000 0.745 568 E HN 0.502 nan 8.360 nan 0.000 0.458 569 A N 0.546 123.419 122.820 0.088 0.000 1.898 569 A HA -0.156 4.164 4.320 0.000 0.000 0.216 569 A C 2.129 179.773 177.584 0.100 0.000 1.181 569 A CA 1.187 53.266 52.037 0.070 0.000 0.620 569 A CB -0.823 18.219 19.000 0.070 0.000 0.819 569 A HN 0.284 nan 8.150 nan 0.000 0.442 570 F N 0.743 120.724 119.950 0.052 0.000 2.102 570 F HA -0.166 4.361 4.527 0.000 0.000 0.298 570 F C 2.213 178.104 175.800 0.152 0.000 1.105 570 F CA 2.241 60.333 58.000 0.153 0.000 1.239 570 F CB -0.160 38.927 39.000 0.145 0.000 0.991 570 F HN 0.105 nan 8.300 nan 0.000 0.474 571 K N -0.345 120.212 120.400 0.262 0.000 2.063 571 K HA -0.278 4.042 4.320 0.000 0.000 0.208 571 K C 2.120 178.726 176.600 0.010 0.000 1.048 571 K CA 1.785 58.151 56.287 0.132 0.000 0.928 571 K CB -0.359 32.225 32.500 0.140 0.000 0.713 571 K HN 0.280 nan 8.250 nan 0.000 0.442 572 Q N 1.208 120.999 119.800 -0.014 0.000 2.020 572 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 572 Q C 2.025 177.934 176.000 -0.152 0.000 0.982 572 Q CA 1.712 57.480 55.803 -0.058 0.000 0.838 572 Q CB -0.132 28.578 28.738 -0.047 0.000 0.899 572 Q HN 0.154 nan 8.270 nan 0.000 0.423 573 R N -1.441 118.880 120.500 -0.299 0.000 2.081 573 R HA -0.156 4.184 4.340 0.000 0.000 0.235 573 R C 0.853 176.780 176.300 -0.621 0.000 1.131 573 R CA 1.568 57.330 56.100 -0.562 0.000 0.960 573 R CB -0.109 29.636 30.300 -0.926 0.000 0.856 573 R HN 0.356 nan 8.270 nan 0.000 0.436 574 Y N 0.734 120.914 120.300 -0.200 0.000 2.571 574 Y HA 0.239 4.790 4.550 0.000 0.000 0.275 574 Y C -0.301 175.607 175.900 0.013 0.000 1.179 574 Y CA -0.265 57.742 58.100 -0.155 0.000 1.242 574 Y CB 0.134 38.336 38.460 -0.431 0.000 1.126 574 Y HN 0.143 nan 8.280 nan 0.000 0.524 575 E N -0.709 119.538 120.200 0.078 0.000 2.440 575 E HA -0.262 4.088 4.350 0.000 0.000 0.246 575 E C 0.624 177.370 176.600 0.243 0.000 1.165 575 E CA 0.451 56.920 56.400 0.115 0.000 0.726 575 E CB -1.365 28.377 29.700 0.070 0.000 1.271 575 E HN 0.500 nan 8.360 nan 0.000 0.397 576 A N 0.303 123.217 122.820 0.156 0.000 2.610 576 A HA 0.190 4.511 4.320 0.000 0.000 0.286 576 A C 1.487 179.128 177.584 0.095 0.000 1.306 576 A CA -0.198 51.894 52.037 0.093 0.000 0.942 576 A CB 0.284 19.259 19.000 -0.043 0.000 1.112 576 A HN 0.139 nan 8.150 nan 0.000 0.527 577 Q N 0.381 120.239 119.800 0.097 0.000 2.197 577 Q HA -0.164 4.176 4.340 0.000 0.000 0.207 577 Q C 0.599 176.640 176.000 0.068 0.000 0.984 577 Q CA 1.978 57.825 55.803 0.073 0.000 0.869 577 Q CB 0.001 28.771 28.738 0.054 0.000 0.906 577 Q HN 0.542 nan 8.270 nan 0.000 0.426 578 D N -0.954 119.497 120.400 0.085 0.000 2.349 578 D HA 0.097 4.737 4.640 0.000 0.000 0.214 578 D C -0.227 176.126 176.300 0.088 0.000 1.063 578 D CA 0.069 54.117 54.000 0.079 0.000 0.847 578 D CB 0.318 41.168 40.800 0.083 0.000 0.933 578 D HN 0.212 nan 8.370 nan 0.000 0.513 579 L N 1.633 122.900 121.223 0.074 0.000 2.380 579 L HA 0.102 4.443 4.340 0.000 0.000 0.273 579 L C 0.508 177.415 176.870 0.062 0.000 1.138 579 L CA -0.035 54.847 54.840 0.069 0.000 0.832 579 L CB 0.720 42.777 42.059 -0.004 0.000 1.124 579 L HN -0.232 nan 8.230 nan 0.000 0.454 580 Q N 4.557 124.408 119.800 0.084 0.000 2.306 580 Q HA 0.480 4.820 4.340 0.000 0.000 0.265 580 Q C -2.307 173.681 176.000 -0.021 0.000 1.022 580 Q CA -1.995 53.796 55.803 -0.021 0.000 0.853 580 Q CB 1.856 30.499 28.738 -0.159 0.000 1.327 580 Q HN 0.324 nan 8.270 nan 0.000 0.449 581 P HA 0.012 nan 4.420 nan 0.000 0.274 581 P C 0.751 178.009 177.300 -0.070 0.000 1.237 581 P CA -0.399 62.649 63.100 -0.086 0.000 0.793 581 P CB 0.926 32.559 31.700 -0.112 0.000 0.977 582 L N 2.952 124.173 121.223 -0.003 0.000 2.079 582 L HA -0.224 4.116 4.340 0.000 0.000 0.210 582 L C 2.416 179.307 176.870 0.036 0.000 1.081 582 L CA 2.690 57.577 54.840 0.078 0.000 0.752 582 L CB -1.632 40.439 42.059 0.021 0.000 0.896 582 L HN 0.491 nan 8.230 nan 0.000 0.433 583 S N -2.536 113.149 115.700 -0.025 0.000 2.402 583 S HA -0.245 4.225 4.470 0.000 0.000 0.233 583 S C 1.874 176.424 174.600 -0.083 0.000 1.030 583 S CA 1.723 59.906 58.200 -0.028 0.000 1.003 583 S CB -1.394 61.779 63.200 -0.044 0.000 0.813 583 S HN 0.576 nan 8.310 nan 0.000 0.477 584 T N 1.256 115.683 114.554 -0.212 0.000 2.708 584 T HA -0.059 4.291 4.350 0.000 0.000 0.266 584 T C 1.414 175.911 174.700 -0.339 0.000 1.037 584 T CA 1.802 63.691 62.100 -0.351 0.000 1.146 584 T CB -0.536 67.991 68.868 -0.568 0.000 0.865 584 T HN 0.598 nan 8.240 nan 0.000 0.435 585 Y N 1.068 121.373 120.300 0.009 0.000 2.263 585 Y HA 0.157 4.707 4.550 0.000 0.000 0.292 585 Y C 2.195 178.189 175.900 0.157 0.000 1.130 585 Y CA 0.041 58.185 58.100 0.073 0.000 1.179 585 Y CB -0.828 37.693 38.460 0.101 0.000 0.998 585 Y HN 0.136 nan 8.280 nan 0.000 0.532 586 L N 0.002 121.363 121.223 0.229 0.000 2.012 586 L HA -0.259 4.081 4.340 0.000 0.000 0.210 586 L C 2.358 179.321 176.870 0.156 0.000 1.073 586 L CA 1.633 56.607 54.840 0.223 0.000 0.748 586 L CB -0.531 41.636 42.059 0.178 0.000 0.891 586 L HN 0.156 nan 8.230 nan 0.000 0.431 587 K N -0.326 120.107 120.400 0.056 0.000 2.057 587 K HA -0.259 4.061 4.320 0.000 0.000 0.207 587 K C 2.127 178.703 176.600 -0.040 0.000 1.049 587 K CA 1.490 57.779 56.287 0.004 0.000 0.931 587 K CB -0.203 32.273 32.500 -0.040 0.000 0.714 587 K HN 0.333 nan 8.250 nan 0.000 0.440 588 Q N 0.105 119.835 119.800 -0.118 0.000 2.152 588 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 588 Q C 0.950 176.689 176.000 -0.434 0.000 0.985 588 Q CA 1.631 57.236 55.803 -0.330 0.000 0.863 588 Q CB 0.040 28.478 28.738 -0.499 0.000 0.904 588 Q HN 0.252 nan 8.270 nan 0.000 0.422 589 F N -1.055 118.939 119.950 0.073 0.000 2.660 589 F HA 0.348 4.875 4.527 0.000 0.000 0.302 589 F C 1.200 177.046 175.800 0.077 0.000 1.103 589 F CA 0.490 58.536 58.000 0.078 0.000 1.340 589 F CB 0.951 40.006 39.000 0.091 0.000 1.048 589 F HN 0.219 nan 8.300 nan 0.000 0.551 590 G N 0.842 109.733 108.800 0.152 0.000 2.132 590 G HA2 -0.251 3.709 3.960 0.000 0.000 0.228 590 G HA3 -0.251 3.709 3.960 0.000 0.000 0.228 590 G C -0.160 174.811 174.900 0.118 0.000 1.000 590 G CA -0.351 44.816 45.100 0.111 0.000 0.693 590 G HN 0.270 nan 8.290 nan 0.000 0.515 591 L N 1.012 122.322 121.223 0.145 0.000 2.325 591 L HA 0.571 4.911 4.340 0.000 0.000 0.278 591 L C 0.209 177.138 176.870 0.098 0.000 1.023 591 L CA -1.157 53.764 54.840 0.135 0.000 0.811 591 L CB 1.363 43.544 42.059 0.203 0.000 1.249 591 L HN 0.325 nan 8.230 nan 0.000 0.431 592 D N -0.535 119.908 120.400 0.072 0.000 2.312 592 D HA 0.285 4.925 4.640 0.000 0.000 0.248 592 D C -0.639 175.695 176.300 0.057 0.000 1.086 592 D CA -0.540 53.490 54.000 0.049 0.000 0.948 592 D CB 1.139 41.956 40.800 0.027 0.000 1.162 592 D HN 0.333 nan 8.370 nan 0.000 0.446 593 D N 0.000 120.424 120.400 0.039 0.000 6.856 593 D HA 0.000 4.640 4.640 0.000 0.000 0.175 593 D CA 0.000 54.024 54.000 0.040 0.000 0.868 593 D CB 0.000 40.813 40.800 0.022 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683