REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ezu_1_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 0.000 174.735 174.700 0.058 0.000 1.109 9 T CA 0.000 62.126 62.100 0.043 0.000 1.349 9 T CB 0.000 68.887 68.868 0.031 0.000 0.612 10 N N 0.193 118.929 118.700 0.060 0.000 2.328 10 N HA 0.790 5.530 4.740 -0.000 0.000 0.299 10 N C -1.663 173.894 175.510 0.078 0.000 1.179 10 N CA -0.703 52.388 53.050 0.069 0.000 0.793 10 N CB 2.808 41.326 38.487 0.051 0.000 1.366 10 N HN 0.355 nan 8.380 nan 0.000 0.493 11 I N 1.169 121.789 120.570 0.083 0.000 2.802 11 I HA 0.343 4.513 4.170 -0.000 0.000 0.298 11 I C -1.250 174.881 176.117 0.022 0.000 1.176 11 I CA -0.785 60.553 61.300 0.063 0.000 1.025 11 I CB 1.627 39.692 38.000 0.109 0.000 1.243 11 I HN 0.374 nan 8.210 nan 0.000 0.424 12 L N 6.226 127.450 121.223 0.002 0.000 2.455 12 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 12 L C 1.544 178.365 176.870 -0.083 0.000 1.174 12 L CA 0.155 54.989 54.840 -0.009 0.000 0.869 12 L CB 1.267 43.337 42.059 0.018 0.000 1.130 12 L HN 0.862 nan 8.230 nan 0.000 0.474 13 A N 3.686 126.458 122.820 -0.079 0.000 1.948 13 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 13 A C 2.149 179.606 177.584 -0.213 0.000 1.177 13 A CA 1.970 53.922 52.037 -0.141 0.000 0.636 13 A CB -0.960 17.984 19.000 -0.094 0.000 0.815 13 A HN 0.990 nan 8.150 nan 0.000 0.449 14 G N -0.593 108.087 108.800 -0.199 0.000 2.440 14 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.218 14 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.218 14 G C 1.756 176.509 174.900 -0.246 0.000 1.154 14 G CA 1.507 46.458 45.100 -0.249 0.000 0.767 14 G HN 0.851 nan 8.290 nan 0.000 0.552 15 A N 1.141 123.839 122.820 -0.203 0.000 1.902 15 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 15 A C 2.818 180.208 177.584 -0.324 0.000 1.181 15 A CA 2.254 54.173 52.037 -0.196 0.000 0.623 15 A CB -0.769 18.162 19.000 -0.114 0.000 0.818 15 A HN 0.810 nan 8.150 nan 0.000 0.443 16 A N -0.578 121.952 122.820 -0.483 0.000 1.902 16 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 16 A C 2.220 179.325 177.584 -0.798 0.000 1.181 16 A CA 1.734 53.179 52.037 -0.986 0.000 0.623 16 A CB -0.940 17.312 19.000 -1.246 0.000 0.818 16 A HN 0.381 nan 8.150 nan 0.000 0.443 17 V N 0.690 120.323 119.914 -0.468 0.000 2.332 17 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 17 V C 2.429 178.375 176.094 -0.248 0.000 1.055 17 V CA 1.927 64.040 62.300 -0.312 0.000 1.038 17 V CB -0.639 31.034 31.823 -0.251 0.000 0.651 17 V HN 0.539 nan 8.190 nan 0.000 0.450 18 I N -0.416 120.008 120.570 -0.243 0.000 2.252 18 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 18 I C 2.432 178.471 176.117 -0.129 0.000 1.102 18 I CA 1.380 62.579 61.300 -0.169 0.000 1.385 18 I CB -1.369 36.536 38.000 -0.158 0.000 1.064 18 I HN 0.297 nan 8.210 nan 0.000 0.414 19 K N 0.929 121.217 120.400 -0.187 0.000 2.103 19 K HA -0.074 4.245 4.320 -0.000 0.000 0.207 19 K C 2.291 178.914 176.600 0.037 0.000 1.048 19 K CA 0.832 57.075 56.287 -0.074 0.000 0.930 19 K CB -0.904 31.550 32.500 -0.076 0.000 0.716 19 K HN 0.222 nan 8.250 nan 0.000 0.444 20 V N 1.966 121.851 119.914 -0.048 0.000 2.287 20 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 20 V C 2.458 178.690 176.094 0.230 0.000 1.053 20 V CA 1.511 63.910 62.300 0.164 0.000 1.027 20 V CB -0.519 31.365 31.823 0.102 0.000 0.646 20 V HN 0.186 nan 8.190 nan 0.000 0.447 21 L N -0.345 120.930 121.223 0.087 0.000 2.017 21 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 21 L C 2.611 179.549 176.870 0.113 0.000 1.073 21 L CA 1.841 56.732 54.840 0.085 0.000 0.745 21 L CB -0.748 41.301 42.059 -0.016 0.000 0.894 21 L HN 0.388 nan 8.230 nan 0.000 0.432 22 E N 0.266 120.503 120.200 0.063 0.000 2.110 22 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 22 E C 2.297 178.938 176.600 0.069 0.000 0.988 22 E CA 1.143 57.573 56.400 0.050 0.000 0.804 22 E CB -0.185 29.529 29.700 0.024 0.000 0.745 22 E HN 0.505 nan 8.360 nan 0.000 0.458 23 A N 0.561 123.436 122.820 0.092 0.000 1.933 23 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 23 A C 1.451 178.982 177.584 -0.089 0.000 1.175 23 A CA 0.983 53.022 52.037 0.002 0.000 0.628 23 A CB -0.861 18.141 19.000 0.004 0.000 0.814 23 A HN 0.368 nan 8.150 nan 0.000 0.444 24 W N -0.759 120.546 121.300 0.008 0.000 3.180 24 W HA 0.359 5.019 4.660 -0.000 0.000 0.254 24 W C 1.545 178.047 176.519 -0.028 0.000 1.318 24 W CA 0.793 58.129 57.345 -0.016 0.000 1.608 24 W CB -0.038 29.425 29.460 0.004 0.000 1.124 24 W HN 0.573 nan 8.180 nan 0.000 0.694 25 G N 0.326 109.209 108.800 0.139 0.000 2.147 25 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 25 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 25 G C -0.014 174.922 174.900 0.059 0.000 1.005 25 G CA -0.042 45.102 45.100 0.075 0.000 0.713 25 G HN 0.024 nan 8.290 nan 0.000 0.515 26 V N 0.698 120.647 119.914 0.058 0.000 2.425 26 V HA 0.190 4.310 4.120 -0.000 0.000 0.276 26 V C 1.520 177.588 176.094 -0.043 0.000 1.017 26 V CA 1.244 63.529 62.300 -0.024 0.000 1.062 26 V CB 1.150 32.950 31.823 -0.038 0.000 0.997 26 V HN 0.546 nan 8.190 nan 0.000 0.476 27 D N 3.246 123.606 120.400 -0.066 0.000 2.183 27 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 27 D C 0.705 177.078 176.300 0.121 0.000 0.962 27 D CA 0.827 54.865 54.000 0.063 0.000 0.849 27 D CB 0.333 41.233 40.800 0.166 0.000 0.978 27 D HN 0.813 nan 8.370 nan 0.000 0.488 28 H N -1.285 117.757 119.070 -0.046 0.000 3.046 28 H HA 0.478 5.034 4.556 -0.000 0.000 0.361 28 H C -0.987 174.177 175.328 -0.274 0.000 1.235 28 H CA -1.170 54.792 56.048 -0.143 0.000 1.146 28 H CB 0.616 30.257 29.762 -0.202 0.000 1.859 28 H HN 0.110 nan 8.280 nan 0.000 0.548 29 L N -0.319 120.753 121.223 -0.251 0.000 2.409 29 L HA 0.749 5.089 4.340 -0.000 0.000 0.255 29 L C -1.958 174.716 176.870 -0.328 0.000 1.027 29 L CA -1.208 53.466 54.840 -0.276 0.000 0.834 29 L CB 2.543 44.616 42.059 0.024 0.000 1.426 29 L HN 0.469 nan 8.230 nan 0.000 0.411 30 Y N -0.053 120.294 120.300 0.077 0.000 2.485 30 Y HA 0.979 5.529 4.550 0.000 0.000 0.345 30 Y C 0.590 176.260 175.900 -0.384 0.000 0.998 30 Y CA -0.284 57.771 58.100 -0.075 0.000 1.059 30 Y CB 2.417 40.815 38.460 -0.104 0.000 1.234 30 Y HN 1.031 nan 8.280 nan 0.000 0.461 31 G N 1.014 109.616 108.800 -0.330 0.000 2.322 31 G HA2 0.502 4.462 3.960 -0.000 0.000 0.295 31 G HA3 0.502 4.462 3.960 -0.000 0.000 0.295 31 G C -2.282 172.426 174.900 -0.320 0.000 1.369 31 G CA -0.934 43.554 45.100 -1.020 0.000 0.821 31 G HN 0.519 nan 8.290 nan 0.000 0.536 32 I N 2.163 122.609 120.570 -0.206 0.000 2.498 32 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 32 I C -2.011 174.294 176.117 0.314 0.000 1.032 32 I CA -2.102 59.285 61.300 0.145 0.000 1.073 32 I CB 2.912 40.967 38.000 0.092 0.000 1.251 32 I HN 0.296 nan 8.210 nan 0.000 0.426 33 P HA 0.389 nan 4.420 nan 0.000 0.274 33 P C -0.437 176.962 177.300 0.165 0.000 1.256 33 P CA -0.076 63.176 63.100 0.254 0.000 0.795 33 P CB 1.307 33.103 31.700 0.160 0.000 1.038 34 G N -1.497 107.368 108.800 0.109 0.000 2.646 34 G HA2 0.433 4.393 3.960 -0.000 0.000 0.291 34 G HA3 0.433 4.393 3.960 -0.000 0.000 0.291 34 G C 0.715 175.650 174.900 0.058 0.000 1.445 34 G CA -0.123 45.033 45.100 0.093 0.000 0.814 34 G HN 0.472 nan 8.290 nan 0.000 0.495 35 G N 0.077 108.921 108.800 0.075 0.000 2.475 35 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 35 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 35 G C 1.970 176.870 174.900 -0.000 0.000 1.125 35 G CA 2.264 47.397 45.100 0.055 0.000 0.755 35 G HN 1.554 nan 8.290 nan 0.000 0.565 36 S N -0.812 114.891 115.700 0.004 0.000 2.561 36 S HA 0.234 4.704 4.470 -0.000 0.000 0.225 36 S C 1.543 176.083 174.600 -0.099 0.000 0.977 36 S CA 0.568 58.745 58.200 -0.040 0.000 0.926 36 S CB 0.095 63.313 63.200 0.030 0.000 0.769 36 S HN 0.345 nan 8.310 nan 0.000 0.533 37 I N 0.208 120.709 120.570 -0.115 0.000 3.994 37 I HA 0.316 4.486 4.170 -0.000 0.000 0.323 37 I C 0.548 176.482 176.117 -0.305 0.000 1.501 37 I CA -0.105 61.063 61.300 -0.219 0.000 1.112 37 I CB 0.382 38.282 38.000 -0.167 0.000 1.254 37 I HN 0.005 nan 8.210 nan 0.000 0.495 38 N N 0.680 119.230 118.700 -0.249 0.000 2.459 38 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 38 N C 1.954 177.194 175.510 -0.450 0.000 1.046 38 N CA 1.485 54.412 53.050 -0.205 0.000 0.904 38 N CB 0.108 38.617 38.487 0.037 0.000 0.964 38 N HN 0.513 nan 8.380 nan 0.000 0.444 39 S N -0.219 114.896 115.700 -0.974 0.000 2.425 39 S HA 0.061 4.530 4.470 -0.000 0.000 0.225 39 S C 1.875 175.992 174.600 -0.804 0.000 1.024 39 S CA 0.197 57.481 58.200 -1.526 0.000 0.951 39 S CB -0.045 61.721 63.200 -2.391 0.000 0.796 39 S HN 0.039 nan 8.310 nan 0.000 0.498 40 I N 2.072 122.271 120.570 -0.620 0.000 2.252 40 I HA -0.054 4.116 4.170 -0.000 0.000 0.245 40 I C 2.446 178.277 176.117 -0.477 0.000 1.102 40 I CA 1.157 62.151 61.300 -0.511 0.000 1.385 40 I CB -1.154 36.523 38.000 -0.538 0.000 1.064 40 I HN 0.295 nan 8.210 nan 0.000 0.414 41 M N 0.112 119.427 119.600 -0.475 0.000 2.082 41 M HA -0.252 4.228 4.480 -0.000 0.000 0.258 41 M C 1.991 178.150 176.300 -0.234 0.000 1.069 41 M CA 1.668 56.742 55.300 -0.377 0.000 1.102 41 M CB -1.550 30.888 32.600 -0.270 0.000 1.336 41 M HN 0.172 nan 8.290 nan 0.000 0.404 42 D N 0.091 120.385 120.400 -0.176 0.000 2.123 42 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 42 D C 1.924 178.179 176.300 -0.076 0.000 0.992 42 D CA 1.713 55.688 54.000 -0.041 0.000 0.833 42 D CB 0.067 40.949 40.800 0.137 0.000 0.954 42 D HN 0.329 nan 8.370 nan 0.000 0.455 43 A N -0.026 122.697 122.820 -0.162 0.000 1.930 43 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 43 A C 2.470 179.971 177.584 -0.140 0.000 1.175 43 A CA 0.752 52.700 52.037 -0.148 0.000 0.627 43 A CB -0.654 18.224 19.000 -0.203 0.000 0.815 43 A HN 0.309 nan 8.150 nan 0.000 0.443 44 L N -0.814 120.299 121.223 -0.183 0.000 2.046 44 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 44 L C 2.906 179.725 176.870 -0.085 0.000 1.077 44 L CA 1.463 56.209 54.840 -0.155 0.000 0.747 44 L CB -0.424 41.492 42.059 -0.237 0.000 0.896 44 L HN 0.486 nan 8.230 nan 0.000 0.432 45 S N -0.212 115.442 115.700 -0.077 0.000 2.383 45 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 45 S C 2.019 176.618 174.600 -0.002 0.000 1.030 45 S CA 1.326 59.516 58.200 -0.017 0.000 1.002 45 S CB -0.101 63.094 63.200 -0.007 0.000 0.829 45 S HN 0.457 nan 8.310 nan 0.000 0.467 46 A N 0.268 123.078 122.820 -0.017 0.000 2.119 46 A HA 0.104 4.423 4.320 -0.000 0.000 0.217 46 A C 1.488 179.064 177.584 -0.014 0.000 1.153 46 A CA 0.847 52.879 52.037 -0.009 0.000 0.692 46 A CB -0.083 18.911 19.000 -0.010 0.000 0.799 46 A HN 0.474 nan 8.150 nan 0.000 0.458 47 E N -0.621 119.561 120.200 -0.031 0.000 2.736 47 E HA 0.154 4.503 4.350 -0.000 0.000 0.208 47 E C 0.902 177.471 176.600 -0.051 0.000 0.996 47 E CA -0.168 56.206 56.400 -0.042 0.000 1.104 47 E CB 0.127 29.788 29.700 -0.064 0.000 1.111 47 E HN 0.563 nan 8.360 nan 0.000 0.455 48 R N 0.352 120.844 120.500 -0.014 0.000 2.152 48 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 48 R C 1.657 177.944 176.300 -0.022 0.000 1.117 48 R CA 1.398 57.505 56.100 0.010 0.000 0.981 48 R CB 0.067 30.411 30.300 0.074 0.000 0.870 48 R HN 0.056 nan 8.270 nan 0.000 0.451 49 D N 0.375 120.767 120.400 -0.014 0.000 2.117 49 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 49 D C 1.588 177.839 176.300 -0.081 0.000 0.982 49 D CA 1.175 55.181 54.000 0.010 0.000 0.828 49 D CB 0.237 41.054 40.800 0.027 0.000 0.967 49 D HN 0.033 nan 8.370 nan 0.000 0.464 50 R N -0.861 119.557 120.500 -0.138 0.000 2.312 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.205 50 R C -0.018 176.115 176.300 -0.279 0.000 0.904 50 R CA -0.025 55.985 56.100 -0.149 0.000 1.052 50 R CB 1.230 31.491 30.300 -0.063 0.000 1.014 50 R HN 0.207 nan 8.270 nan 0.000 0.503 51 I N 0.509 120.828 120.570 -0.418 0.000 2.610 51 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 51 I C -1.473 174.393 176.117 -0.418 0.000 1.163 51 I CA -0.867 60.209 61.300 -0.372 0.000 1.044 51 I CB 1.762 39.673 38.000 -0.148 0.000 1.251 51 I HN 0.091 nan 8.210 nan 0.000 0.424 52 H N 6.697 125.795 119.070 0.047 0.000 2.597 52 H HA 0.238 4.794 4.556 -0.000 0.000 0.303 52 H C -1.133 174.220 175.328 0.042 0.000 1.057 52 H CA -0.314 55.760 56.048 0.044 0.000 1.261 52 H CB 0.721 30.486 29.762 0.006 0.000 1.397 52 H HN 0.422 nan 8.280 nan 0.000 0.461 53 Y N 4.875 125.201 120.300 0.043 0.000 2.359 53 Y HA 0.229 4.779 4.550 -0.000 0.000 0.334 53 Y C -0.913 174.959 175.900 -0.047 0.000 1.058 53 Y CA -1.252 56.860 58.100 0.021 0.000 1.244 53 Y CB 0.433 38.947 38.460 0.089 0.000 1.187 53 Y HN 0.504 nan 8.280 nan 0.000 0.510 54 I N 7.530 127.667 120.570 -0.722 0.000 2.359 54 I HA 0.162 4.332 4.170 -0.000 0.000 0.284 54 I C -0.204 175.410 176.117 -0.837 0.000 1.018 54 I CA -0.663 60.101 61.300 -0.894 0.000 1.173 54 I CB 1.158 38.754 38.000 -0.675 0.000 1.326 54 I HN 0.623 nan 8.210 nan 0.000 0.462 55 Q N 7.188 126.574 119.800 -0.689 0.000 2.323 55 Q HA 0.282 4.622 4.340 -0.000 0.000 0.257 55 Q C -0.572 175.448 176.000 0.034 0.000 1.022 55 Q CA -0.207 55.430 55.803 -0.275 0.000 0.919 55 Q CB 1.297 30.025 28.738 -0.017 0.000 1.220 55 Q HN 0.599 nan 8.270 nan 0.000 0.427 56 V N 3.083 123.016 119.914 0.032 0.000 3.170 56 V HA 0.403 4.523 4.120 -0.000 0.000 0.309 56 V C 0.810 176.951 176.094 0.078 0.000 1.071 56 V CA -0.596 61.745 62.300 0.068 0.000 1.063 56 V CB 1.171 33.019 31.823 0.043 0.000 1.123 56 V HN 0.704 nan 8.190 nan 0.000 0.464 57 R N -0.294 120.254 120.500 0.081 0.000 2.290 57 R HA 0.289 4.629 4.340 -0.000 0.000 0.197 57 R C 0.259 176.630 176.300 0.119 0.000 0.913 57 R CA 0.416 56.568 56.100 0.086 0.000 1.040 57 R CB -0.577 29.767 30.300 0.072 0.000 0.992 57 R HN 0.944 nan 8.270 nan 0.000 0.500 58 H N 0.010 119.073 119.070 -0.012 0.000 2.947 58 H HA 0.180 4.736 4.556 -0.000 0.000 0.354 58 H C -0.194 175.101 175.328 -0.056 0.000 1.085 58 H CA -0.240 55.777 56.048 -0.053 0.000 1.253 58 H CB 1.640 31.323 29.762 -0.132 0.000 1.757 58 H HN -0.206 nan 8.280 nan 0.000 0.523 59 E N 2.273 122.516 120.200 0.073 0.000 2.265 59 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 59 E C 1.783 178.469 176.600 0.144 0.000 0.996 59 E CA 1.339 57.796 56.400 0.094 0.000 0.832 59 E CB 0.192 29.948 29.700 0.093 0.000 0.756 59 E HN 0.786 nan 8.360 nan 0.000 0.491 60 E N 0.605 120.987 120.200 0.303 0.000 2.153 60 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 60 E C 1.836 178.431 176.600 -0.009 0.000 0.988 60 E CA 1.307 57.774 56.400 0.113 0.000 0.811 60 E CB -0.217 29.486 29.700 0.005 0.000 0.746 60 E HN 0.123 nan 8.360 nan 0.000 0.466 61 V N 1.676 121.572 119.914 -0.029 0.000 2.343 61 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 61 V C 2.564 178.535 176.094 -0.206 0.000 1.051 61 V CA 1.964 64.201 62.300 -0.104 0.000 1.036 61 V CB -0.996 30.783 31.823 -0.072 0.000 0.654 61 V HN 0.569 nan 8.190 nan 0.000 0.451 62 G N -0.303 108.402 108.800 -0.159 0.000 2.446 62 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 62 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 62 G C 1.762 176.517 174.900 -0.241 0.000 1.168 62 G CA 1.145 46.105 45.100 -0.233 0.000 0.771 62 G HN 0.615 nan 8.290 nan 0.000 0.551 63 A N 0.346 123.103 122.820 -0.105 0.000 1.898 63 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 63 A C 2.470 179.992 177.584 -0.102 0.000 1.181 63 A CA 1.724 53.723 52.037 -0.064 0.000 0.620 63 A CB -0.313 18.688 19.000 0.002 0.000 0.819 63 A HN 0.382 nan 8.150 nan 0.000 0.442 64 M N -0.568 118.963 119.600 -0.115 0.000 2.175 64 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 64 M C 2.466 178.668 176.300 -0.164 0.000 1.063 64 M CA 1.330 56.569 55.300 -0.101 0.000 1.119 64 M CB -0.302 32.254 32.600 -0.073 0.000 1.377 64 M HN 0.468 nan 8.290 nan 0.000 0.415 65 A N 0.280 122.898 122.820 -0.337 0.000 1.969 65 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 65 A C 2.349 179.761 177.584 -0.286 0.000 1.169 65 A CA 1.689 53.447 52.037 -0.464 0.000 0.635 65 A CB -0.830 17.555 19.000 -1.025 0.000 0.810 65 A HN 0.478 nan 8.150 nan 0.000 0.445 66 A N 0.050 122.735 122.820 -0.226 0.000 1.902 66 A HA 0.135 4.454 4.320 -0.000 0.000 0.217 66 A C 2.504 180.088 177.584 -0.001 0.000 1.181 66 A CA 2.113 54.185 52.037 0.058 0.000 0.623 66 A CB -1.016 18.030 19.000 0.077 0.000 0.818 66 A HN 1.033 nan 8.150 nan 0.000 0.443 67 A N -0.205 122.588 122.820 -0.045 0.000 1.902 67 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 67 A C 2.506 180.077 177.584 -0.022 0.000 1.181 67 A CA 2.095 54.105 52.037 -0.044 0.000 0.623 67 A CB -1.005 17.965 19.000 -0.050 0.000 0.818 67 A HN 1.059 nan 8.150 nan 0.000 0.443 68 A N -0.017 122.796 122.820 -0.013 0.000 1.902 68 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 68 A C 1.796 179.419 177.584 0.065 0.000 1.181 68 A CA 1.803 53.853 52.037 0.021 0.000 0.623 68 A CB -0.641 18.369 19.000 0.017 0.000 0.818 68 A HN 0.472 nan 8.150 nan 0.000 0.443 69 D N 0.192 120.648 120.400 0.093 0.000 2.126 69 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 69 D C 2.217 178.555 176.300 0.063 0.000 1.001 69 D CA 1.926 55.995 54.000 0.114 0.000 0.841 69 D CB -0.422 40.446 40.800 0.114 0.000 0.949 69 D HN 0.443 nan 8.370 nan 0.000 0.446 70 A N 0.767 123.600 122.820 0.022 0.000 1.930 70 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 70 A C 2.093 179.695 177.584 0.030 0.000 1.175 70 A CA 1.357 53.397 52.037 0.006 0.000 0.627 70 A CB -0.306 18.666 19.000 -0.047 0.000 0.815 70 A HN 0.150 nan 8.150 nan 0.000 0.443 71 K N -0.421 119.992 120.400 0.020 0.000 2.063 71 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 71 K C 1.788 178.421 176.600 0.056 0.000 1.048 71 K CA 1.543 57.840 56.287 0.017 0.000 0.928 71 K CB -0.341 32.156 32.500 -0.005 0.000 0.713 71 K HN 0.476 nan 8.250 nan 0.000 0.442 72 L N -0.125 121.159 121.223 0.101 0.000 2.068 72 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 72 L C 2.524 179.518 176.870 0.206 0.000 1.076 72 L CA 1.472 56.417 54.840 0.176 0.000 0.753 72 L CB -0.385 41.840 42.059 0.277 0.000 0.910 72 L HN 0.333 nan 8.230 nan 0.000 0.439 73 T N -5.019 109.630 114.554 0.159 0.000 2.990 73 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 73 T C 1.494 176.271 174.700 0.129 0.000 1.041 73 T CA 0.506 62.694 62.100 0.147 0.000 1.010 73 T CB 0.860 69.774 68.868 0.078 0.000 1.003 73 T HN 0.394 nan 8.240 nan 0.000 0.499 74 G N 1.672 110.544 108.800 0.120 0.000 2.184 74 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 74 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 74 G C -0.037 174.983 174.900 0.200 0.000 0.975 74 G CA 0.341 45.530 45.100 0.148 0.000 0.642 74 G HN 0.683 nan 8.290 nan 0.000 0.536 75 K N -0.036 120.450 120.400 0.143 0.000 2.110 75 K HA 0.604 4.924 4.320 -0.000 0.000 0.263 75 K C 0.605 177.197 176.600 -0.014 0.000 0.975 75 K CA -0.976 55.413 56.287 0.170 0.000 0.895 75 K CB 2.055 34.620 32.500 0.107 0.000 1.060 75 K HN 0.233 nan 8.250 nan 0.000 0.448 76 I N 1.771 122.217 120.570 -0.207 0.000 2.752 76 I HA -0.054 4.116 4.170 -0.000 0.000 0.289 76 I C 0.375 176.358 176.117 -0.222 0.000 1.197 76 I CA 0.526 61.559 61.300 -0.445 0.000 1.432 76 I CB 0.409 37.955 38.000 -0.757 0.000 1.359 76 I HN 0.681 nan 8.210 nan 0.000 0.571 77 G N 6.357 115.052 108.800 -0.175 0.000 2.400 77 G HA2 0.536 4.495 3.960 -0.000 0.000 0.301 77 G HA3 0.536 4.495 3.960 -0.000 0.000 0.301 77 G C -1.113 173.739 174.900 -0.080 0.000 1.154 77 G CA -0.422 44.627 45.100 -0.085 0.000 0.852 77 G HN 0.511 nan 8.290 nan 0.000 0.511 78 V N 0.976 120.877 119.914 -0.022 0.000 2.588 78 V HA 0.576 4.696 4.120 -0.000 0.000 0.304 78 V C 0.221 176.391 176.094 0.126 0.000 1.042 78 V CA -0.755 61.546 62.300 0.001 0.000 0.877 78 V CB 0.900 32.695 31.823 -0.047 0.000 0.996 78 V HN 1.225 nan 8.190 nan 0.000 0.425 79 C N 3.494 122.867 119.300 0.121 0.000 3.285 79 C HA 1.031 5.491 4.460 -0.000 0.000 0.320 79 C C -0.961 174.134 174.990 0.175 0.000 1.411 79 C CA -1.008 58.094 59.018 0.141 0.000 1.429 79 C CB 1.442 29.232 27.740 0.083 0.000 1.812 79 C HN 1.042 nan 8.230 nan 0.000 0.454 80 F N -0.680 119.305 119.950 0.059 0.000 2.668 80 F HA 0.911 5.438 4.527 -0.000 0.000 0.309 80 F C -0.392 175.431 175.800 0.038 0.000 1.117 80 F CA -0.346 57.658 58.000 0.006 0.000 0.951 80 F CB 1.310 40.291 39.000 -0.031 0.000 1.323 80 F HN 1.182 nan 8.300 nan 0.000 0.451 81 G N 0.565 109.504 108.800 0.231 0.000 2.706 81 G HA2 0.554 4.513 3.960 -0.000 0.000 0.297 81 G HA3 0.554 4.513 3.960 -0.000 0.000 0.297 81 G C -1.360 173.653 174.900 0.189 0.000 1.403 81 G CA -0.615 44.581 45.100 0.159 0.000 0.954 81 G HN 1.060 nan 8.290 nan 0.000 0.500 82 S N 0.398 116.195 115.700 0.162 0.000 2.596 82 S HA 0.627 5.097 4.470 -0.000 0.000 0.260 82 S C 0.980 175.621 174.600 0.069 0.000 1.336 82 S CA 0.132 58.395 58.200 0.106 0.000 0.993 82 S CB 1.105 64.365 63.200 0.100 0.000 0.923 82 S HN 1.866 nan 8.310 nan 0.000 0.567 83 A N 1.063 123.915 122.820 0.054 0.000 2.555 83 A HA 0.516 4.836 4.320 -0.000 0.000 0.233 83 A C 1.509 179.107 177.584 0.022 0.000 1.060 83 A CA 0.324 52.391 52.037 0.050 0.000 0.759 83 A CB -1.452 17.587 19.000 0.065 0.000 0.995 83 A HN 2.440 nan 8.150 nan 0.000 0.506 84 G N 2.003 110.818 108.800 0.025 0.000 2.557 84 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 84 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 84 G C -0.692 174.191 174.900 -0.030 0.000 1.162 84 G CA 0.397 45.483 45.100 -0.023 0.000 0.964 84 G HN 0.875 nan 8.290 nan 0.000 0.541 85 P HA 0.018 nan 4.420 nan 0.000 0.223 85 P C 1.876 179.063 177.300 -0.188 0.000 1.151 85 P CA 2.375 65.367 63.100 -0.181 0.000 0.787 85 P CB -0.607 30.960 31.700 -0.222 0.000 0.788 86 G N 0.690 109.456 108.800 -0.056 0.000 2.414 86 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 86 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 86 G C 1.865 176.815 174.900 0.083 0.000 1.188 86 G CA 0.882 45.994 45.100 0.019 0.000 0.783 86 G HN 0.355 nan 8.290 nan 0.000 0.537 87 G N 0.525 109.394 108.800 0.114 0.000 2.402 87 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 87 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 87 G C 1.995 177.071 174.900 0.294 0.000 1.162 87 G CA 2.118 47.345 45.100 0.211 0.000 0.777 87 G HN 0.562 nan 8.290 nan 0.000 0.539 88 T N -2.093 112.567 114.554 0.176 0.000 2.915 88 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 88 T C 1.900 176.717 174.700 0.194 0.000 1.071 88 T CA 1.383 63.555 62.100 0.120 0.000 1.132 88 T CB -0.645 68.227 68.868 0.007 0.000 0.878 88 T HN 0.539 nan 8.240 nan 0.000 0.479 89 H N 0.735 119.864 119.070 0.099 0.000 2.489 89 H HA 0.103 4.659 4.556 -0.000 0.000 0.295 89 H C 1.911 177.339 175.328 0.166 0.000 1.082 89 H CA 0.826 56.949 56.048 0.125 0.000 1.295 89 H CB -0.204 29.558 29.762 -0.001 0.000 1.380 89 H HN 0.313 nan 8.280 nan 0.000 0.548 90 L N -0.115 121.268 121.223 0.267 0.000 2.275 90 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 90 L C 2.175 179.157 176.870 0.186 0.000 1.119 90 L CA 0.085 55.038 54.840 0.189 0.000 0.790 90 L CB -0.186 41.970 42.059 0.162 0.000 0.919 90 L HN 0.370 nan 8.230 nan 0.000 0.443 91 M N -0.087 119.653 119.600 0.232 0.000 2.106 91 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 91 M C 1.891 178.352 176.300 0.269 0.000 1.068 91 M CA 1.792 57.252 55.300 0.267 0.000 1.100 91 M CB -1.377 31.378 32.600 0.258 0.000 1.351 91 M HN 0.276 nan 8.290 nan 0.000 0.404 92 N N 0.162 118.999 118.700 0.229 0.000 2.223 92 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 92 N C 1.776 177.391 175.510 0.175 0.000 1.016 92 N CA 1.509 54.726 53.050 0.279 0.000 0.863 92 N CB -0.595 38.039 38.487 0.244 0.000 0.983 92 N HN 0.491 nan 8.380 nan 0.000 0.429 93 G N 0.371 109.228 108.800 0.095 0.000 2.408 93 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 93 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 93 G C 1.402 176.286 174.900 -0.028 0.000 1.150 93 G CA 0.347 45.462 45.100 0.026 0.000 0.776 93 G HN 0.204 nan 8.290 nan 0.000 0.542 94 L N -1.169 120.037 121.223 -0.028 0.000 2.072 94 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 94 L C 2.634 179.325 176.870 -0.297 0.000 1.079 94 L CA 0.760 55.524 54.840 -0.127 0.000 0.752 94 L CB -0.524 41.482 42.059 -0.089 0.000 0.906 94 L HN 0.137 nan 8.230 nan 0.000 0.436 95 Y N 0.421 120.497 120.300 -0.374 0.000 2.224 95 Y HA -0.283 4.267 4.550 -0.000 0.000 0.289 95 Y C 2.438 177.909 175.900 -0.714 0.000 1.146 95 Y CA 1.754 59.395 58.100 -0.764 0.000 1.182 95 Y CB -0.303 37.235 38.460 -1.536 0.000 0.983 95 Y HN 0.246 nan 8.280 nan 0.000 0.524 96 D N -0.354 119.853 120.400 -0.321 0.000 2.117 96 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 96 D C 2.197 178.449 176.300 -0.081 0.000 0.987 96 D CA 1.384 55.352 54.000 -0.055 0.000 0.829 96 D CB -0.202 40.644 40.800 0.077 0.000 0.961 96 D HN 0.245 nan 8.370 nan 0.000 0.460 97 A N 0.281 123.032 122.820 -0.114 0.000 1.898 97 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 97 A C 2.265 179.784 177.584 -0.109 0.000 1.181 97 A CA 1.504 53.476 52.037 -0.108 0.000 0.620 97 A CB -0.626 18.311 19.000 -0.106 0.000 0.819 97 A HN 0.233 nan 8.150 nan 0.000 0.442 98 R N -0.350 120.057 120.500 -0.154 0.000 2.080 98 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 98 R C 1.866 178.144 176.300 -0.035 0.000 1.137 98 R CA 1.804 57.834 56.100 -0.118 0.000 0.943 98 R CB -0.223 29.947 30.300 -0.218 0.000 0.846 98 R HN 0.447 nan 8.270 nan 0.000 0.431 99 E N 0.411 120.589 120.200 -0.036 0.000 2.152 99 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 99 E C 1.114 177.731 176.600 0.029 0.000 0.983 99 E CA 0.976 57.410 56.400 0.056 0.000 0.818 99 E CB -0.091 29.692 29.700 0.139 0.000 0.758 99 E HN 0.393 nan 8.360 nan 0.000 0.467 100 D N 0.024 120.374 120.400 -0.084 0.000 2.328 100 D HA -0.025 4.615 4.640 -0.000 0.000 0.226 100 D C -0.361 175.536 176.300 -0.671 0.000 1.066 100 D CA 0.219 54.034 54.000 -0.309 0.000 0.861 100 D CB -0.549 40.132 40.800 -0.198 0.000 0.912 100 D HN 0.347 nan 8.370 nan 0.000 0.521 101 H N -2.254 116.819 119.070 0.006 0.000 2.604 101 H HA -0.156 4.400 4.556 -0.000 0.000 0.321 101 H C -0.596 174.735 175.328 0.005 0.000 1.132 101 H CA 0.322 56.374 56.048 0.007 0.000 1.129 101 H CB -2.669 27.108 29.762 0.024 0.000 1.526 101 H HN 0.015 nan 8.280 nan 0.000 0.415 102 V N -2.748 117.146 119.914 -0.033 0.000 2.715 102 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 102 V C -2.295 173.761 176.094 -0.063 0.000 1.054 102 V CA -2.548 59.736 62.300 -0.028 0.000 0.928 102 V CB 2.475 34.261 31.823 -0.063 0.000 1.007 102 V HN 0.264 nan 8.190 nan 0.000 0.437 103 P HA 0.331 nan 4.420 nan 0.000 0.271 103 P C -0.810 176.341 177.300 -0.248 0.000 1.226 103 P CA 0.083 63.041 63.100 -0.236 0.000 0.765 103 P CB 1.370 32.783 31.700 -0.478 0.000 0.835 104 V N 5.025 124.812 119.914 -0.212 0.000 2.733 104 V HA 0.258 4.378 4.120 -0.000 0.000 0.306 104 V C -0.227 175.764 176.094 -0.171 0.000 1.084 104 V CA -0.822 61.374 62.300 -0.174 0.000 0.905 104 V CB 2.282 34.037 31.823 -0.114 0.000 1.010 104 V HN 0.378 nan 8.190 nan 0.000 0.424 105 L N 4.619 125.742 121.223 -0.168 0.000 2.282 105 L HA 0.903 5.243 4.340 -0.000 0.000 0.288 105 L C 0.169 176.988 176.870 -0.085 0.000 1.033 105 L CA -0.009 54.746 54.840 -0.140 0.000 0.807 105 L CB 1.162 43.120 42.059 -0.169 0.000 1.209 105 L HN 0.802 nan 8.230 nan 0.000 0.423 106 A N 6.672 129.438 122.820 -0.090 0.000 2.304 106 A HA 0.690 5.010 4.320 -0.000 0.000 0.314 106 A C -1.038 176.484 177.584 -0.102 0.000 1.187 106 A CA -0.579 51.412 52.037 -0.077 0.000 0.810 106 A CB 0.478 19.408 19.000 -0.117 0.000 1.183 106 A HN 0.717 nan 8.150 nan 0.000 0.487 107 L N 3.681 124.885 121.223 -0.033 0.000 2.289 107 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 107 L C -0.625 176.217 176.870 -0.047 0.000 1.049 107 L CA -0.634 54.169 54.840 -0.061 0.000 0.804 107 L CB 1.143 43.167 42.059 -0.057 0.000 1.195 107 L HN 0.473 nan 8.230 nan 0.000 0.428 108 I N 2.321 122.815 120.570 -0.126 0.000 2.389 108 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 108 I C 0.844 176.921 176.117 -0.066 0.000 0.999 108 I CA -0.331 60.904 61.300 -0.107 0.000 1.129 108 I CB 1.239 39.099 38.000 -0.234 0.000 1.288 108 I HN 0.603 nan 8.210 nan 0.000 0.444 109 G N 4.646 113.434 108.800 -0.020 0.000 2.474 109 G HA2 0.239 4.199 3.960 -0.000 0.000 0.233 109 G HA3 0.239 4.199 3.960 -0.000 0.000 0.233 109 G C -0.352 174.545 174.900 -0.005 0.000 1.278 109 G CA 0.174 45.256 45.100 -0.031 0.000 0.861 109 G HN 0.621 nan 8.290 nan 0.000 0.567 110 Q N 0.202 119.998 119.800 -0.006 0.000 2.377 110 Q HA 0.511 4.851 4.340 -0.000 0.000 0.279 110 Q C -0.946 175.105 176.000 0.086 0.000 1.049 110 Q CA -0.920 54.915 55.803 0.053 0.000 0.825 110 Q CB 1.353 30.115 28.738 0.039 0.000 1.401 110 Q HN 0.453 nan 8.270 nan 0.000 0.404 111 F N 1.263 121.219 119.950 0.009 0.000 2.589 111 F HA 0.447 4.974 4.527 0.000 0.000 0.352 111 F C 1.200 177.014 175.800 0.024 0.000 1.168 111 F CA 1.581 59.600 58.000 0.031 0.000 1.353 111 F CB 0.614 39.637 39.000 0.039 0.000 1.116 111 F HN 0.638 nan 8.300 nan 0.000 0.608 112 G N 1.886 110.672 108.800 -0.023 0.000 2.554 112 G HA2 0.185 4.145 3.960 -0.000 0.000 0.238 112 G HA3 0.185 4.145 3.960 -0.000 0.000 0.238 112 G C 0.906 175.926 174.900 0.199 0.000 1.259 112 G CA 0.035 45.171 45.100 0.059 0.000 0.843 112 G HN 0.941 nan 8.290 nan 0.000 0.582 113 T N -1.777 112.848 114.554 0.117 0.000 2.869 113 T HA -0.259 4.091 4.350 -0.000 0.000 0.270 113 T C 2.237 177.010 174.700 0.121 0.000 1.082 113 T CA 2.286 64.450 62.100 0.107 0.000 1.123 113 T CB -0.712 68.194 68.868 0.065 0.000 0.856 113 T HN 0.715 nan 8.240 nan 0.000 0.499 114 T N -1.872 112.769 114.554 0.145 0.000 3.023 114 T HA 0.268 4.618 4.350 -0.000 0.000 0.266 114 T C 2.046 176.848 174.700 0.171 0.000 1.093 114 T CA 0.743 62.924 62.100 0.135 0.000 1.129 114 T CB -0.450 68.492 68.868 0.123 0.000 0.899 114 T HN 0.510 nan 8.240 nan 0.000 0.491 115 G N 0.280 109.258 108.800 0.297 0.000 2.944 115 G HA2 0.378 4.338 3.960 -0.000 0.000 0.220 115 G HA3 0.378 4.338 3.960 -0.000 0.000 0.220 115 G C 0.418 175.293 174.900 -0.042 0.000 1.100 115 G CA -0.615 44.582 45.100 0.163 0.000 0.780 115 G HN 0.407 nan 8.290 nan 0.000 0.539 116 M N 1.362 121.024 119.600 0.103 0.000 2.245 116 M HA 0.072 4.552 4.480 -0.000 0.000 0.335 116 M C 0.549 176.837 176.300 -0.020 0.000 1.155 116 M CA 0.353 55.672 55.300 0.031 0.000 1.055 116 M CB 0.223 32.868 32.600 0.075 0.000 1.670 116 M HN 0.135 nan 8.290 nan 0.000 0.447 117 N N 0.811 119.485 118.700 -0.043 0.000 2.800 117 N HA -0.168 4.572 4.740 -0.000 0.000 0.250 117 N C -0.104 175.373 175.510 -0.055 0.000 1.078 117 N CA 0.860 53.886 53.050 -0.040 0.000 0.804 117 N CB -0.653 37.824 38.487 -0.016 0.000 1.135 117 N HN 0.617 nan 8.380 nan 0.000 0.565 118 M N 0.042 119.584 119.600 -0.096 0.000 2.371 118 M HA 0.077 4.557 4.480 -0.000 0.000 0.246 118 M C -0.182 176.055 176.300 -0.106 0.000 1.103 118 M CA 0.229 55.471 55.300 -0.097 0.000 1.010 118 M CB -0.446 32.083 32.600 -0.118 0.000 1.457 118 M HN -0.018 nan 8.290 nan 0.000 0.486 119 D N 1.603 121.935 120.400 -0.114 0.000 2.697 119 D HA -0.149 4.491 4.640 -0.000 0.000 0.238 119 D C 0.468 176.697 176.300 -0.118 0.000 1.152 119 D CA 0.897 54.837 54.000 -0.100 0.000 0.666 119 D CB -1.007 39.758 40.800 -0.059 0.000 1.037 119 D HN 0.286 nan 8.370 nan 0.000 0.423 120 T N -1.116 113.310 114.554 -0.213 0.000 2.888 120 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 120 T C -0.052 174.588 174.700 -0.099 0.000 1.013 120 T CA -0.708 61.267 62.100 -0.209 0.000 0.938 120 T CB 0.601 69.198 68.868 -0.452 0.000 1.298 120 T HN 0.076 nan 8.240 nan 0.000 0.580 121 F N 1.930 121.807 119.950 -0.123 0.000 2.578 121 F HA 0.194 4.721 4.527 -0.000 0.000 0.381 121 F C 1.399 177.221 175.800 0.036 0.000 1.069 121 F CA 0.458 58.456 58.000 -0.003 0.000 1.231 121 F CB -0.265 38.782 39.000 0.078 0.000 1.086 121 F HN 0.791 nan 8.300 nan 0.000 0.564 122 Q N 1.620 121.033 119.800 -0.646 0.000 2.450 122 Q HA -0.297 4.043 4.340 -0.000 0.000 0.255 122 Q C -0.347 175.563 176.000 -0.151 0.000 1.003 122 Q CA 1.197 56.723 55.803 -0.462 0.000 1.097 122 Q CB -0.940 27.481 28.738 -0.529 0.000 1.544 122 Q HN 0.715 nan 8.270 nan 0.000 0.531 123 E N 0.935 121.057 120.200 -0.130 0.000 2.158 123 E HA 0.540 4.890 4.350 -0.000 0.000 0.271 123 E C -0.306 176.245 176.600 -0.082 0.000 0.911 123 E CA -0.235 56.112 56.400 -0.088 0.000 0.767 123 E CB 0.850 30.407 29.700 -0.238 0.000 1.120 123 E HN 0.342 nan 8.360 nan 0.000 0.405 124 M N 2.375 121.952 119.600 -0.039 0.000 2.880 124 M HA 0.419 4.899 4.480 -0.000 0.000 0.269 124 M C -1.185 175.111 176.300 -0.007 0.000 1.248 124 M CA -1.081 54.199 55.300 -0.033 0.000 0.821 124 M CB 1.274 33.852 32.600 -0.037 0.000 1.650 124 M HN 0.166 nan 8.290 nan 0.000 0.479 125 N N 1.482 120.177 118.700 -0.008 0.000 2.399 125 N HA 0.165 4.905 4.740 -0.000 0.000 0.259 125 N C -0.144 175.378 175.510 0.020 0.000 1.160 125 N CA 0.377 53.431 53.050 0.006 0.000 0.946 125 N CB 0.463 38.949 38.487 -0.002 0.000 1.156 125 N HN 0.736 nan 8.380 nan 0.000 0.489 126 E N 1.985 122.215 120.200 0.050 0.000 2.385 126 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 126 E C 1.036 177.724 176.600 0.148 0.000 1.013 126 E CA -0.051 56.413 56.400 0.107 0.000 0.866 126 E CB 0.114 29.904 29.700 0.149 0.000 0.832 126 E HN 0.638 nan 8.360 nan 0.000 0.500 127 N N 1.512 120.264 118.700 0.086 0.000 2.104 127 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 127 N C -0.962 174.586 175.510 0.064 0.000 1.024 127 N CA 1.134 54.232 53.050 0.080 0.000 0.853 127 N CB -0.341 38.159 38.487 0.022 0.000 1.008 127 N HN 0.094 nan 8.380 nan 0.000 0.424 128 P HA 0.009 nan 4.420 nan 0.000 0.223 128 P C 1.487 178.752 177.300 -0.058 0.000 1.151 128 P CA 0.625 63.718 63.100 -0.011 0.000 0.787 128 P CB -0.083 31.606 31.700 -0.018 0.000 0.788 129 I N -2.007 118.492 120.570 -0.118 0.000 2.264 129 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 129 I C 1.463 177.271 176.117 -0.516 0.000 1.111 129 I CA 1.819 62.897 61.300 -0.370 0.000 1.382 129 I CB -0.680 36.955 38.000 -0.608 0.000 1.060 129 I HN -0.015 nan 8.210 nan 0.000 0.418 130 Y N -0.077 120.219 120.300 -0.008 0.000 2.467 130 Y HA 0.390 4.940 4.550 -0.000 0.000 0.250 130 Y C 2.203 178.074 175.900 -0.048 0.000 1.155 130 Y CA 0.188 58.269 58.100 -0.031 0.000 1.249 130 Y CB -0.264 38.165 38.460 -0.051 0.000 1.146 130 Y HN -0.004 nan 8.280 nan 0.000 0.524 131 A N 0.224 123.068 122.820 0.040 0.000 1.933 131 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 131 A C 1.831 179.421 177.584 0.010 0.000 1.175 131 A CA 2.335 54.384 52.037 0.020 0.000 0.628 131 A CB -0.541 18.465 19.000 0.008 0.000 0.814 131 A HN 0.435 nan 8.150 nan 0.000 0.444 132 D N -1.141 119.269 120.400 0.017 0.000 2.103 132 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 132 D C 1.739 178.008 176.300 -0.052 0.000 0.978 132 D CA 1.308 55.328 54.000 0.033 0.000 0.829 132 D CB -0.089 40.785 40.800 0.122 0.000 0.981 132 D HN 0.085 nan 8.370 nan 0.000 0.464 133 V N -0.169 119.629 119.914 -0.193 0.000 2.667 133 V HA 0.197 4.317 4.120 -0.000 0.000 0.252 133 V C 0.751 176.687 176.094 -0.263 0.000 1.065 133 V CA 1.069 63.053 62.300 -0.526 0.000 1.083 133 V CB -0.398 30.877 31.823 -0.913 0.000 0.692 133 V HN 0.325 nan 8.190 nan 0.000 0.468 134 A N -0.211 122.542 122.820 -0.113 0.000 2.301 134 A HA 0.361 4.681 4.320 -0.000 0.000 0.312 134 A C 0.804 178.382 177.584 -0.009 0.000 1.182 134 A CA 0.209 52.215 52.037 -0.052 0.000 0.826 134 A CB 0.899 19.893 19.000 -0.010 0.000 1.134 134 A HN 0.455 nan 8.150 nan 0.000 0.501 135 D N 0.383 120.797 120.400 0.024 0.000 2.149 135 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 135 D C -0.145 176.257 176.300 0.171 0.000 0.972 135 D CA 1.546 55.596 54.000 0.083 0.000 0.835 135 D CB 0.023 40.898 40.800 0.124 0.000 0.966 135 D HN 0.491 nan 8.370 nan 0.000 0.476 136 Y N -0.016 120.285 120.300 0.001 0.000 2.386 136 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 136 Y C -1.640 174.247 175.900 -0.022 0.000 1.002 136 Y CA -1.459 56.640 58.100 -0.001 0.000 1.068 136 Y CB 1.372 39.827 38.460 -0.009 0.000 1.203 136 Y HN -0.187 nan 8.280 nan 0.000 0.443 137 N N 5.038 123.497 118.700 -0.402 0.000 2.621 137 N HA 0.510 5.250 4.740 -0.000 0.000 0.271 137 N C -2.290 173.004 175.510 -0.361 0.000 1.181 137 N CA -0.351 52.528 53.050 -0.285 0.000 0.805 137 N CB 1.198 39.631 38.487 -0.091 0.000 1.351 137 N HN 0.553 nan 8.380 nan 0.000 0.539 138 V N -0.034 119.640 119.914 -0.401 0.000 2.971 138 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 138 V C -0.323 175.667 176.094 -0.173 0.000 1.130 138 V CA -0.655 61.458 62.300 -0.312 0.000 0.964 138 V CB 1.666 33.230 31.823 -0.432 0.000 1.029 138 V HN 0.378 nan 8.190 nan 0.000 0.427 139 T N 3.815 118.307 114.554 -0.103 0.000 2.744 139 T HA 0.719 5.069 4.350 -0.000 0.000 0.291 139 T C 0.386 175.058 174.700 -0.047 0.000 0.957 139 T CA 0.401 62.463 62.100 -0.062 0.000 1.002 139 T CB 1.059 69.909 68.868 -0.029 0.000 0.919 139 T HN 1.421 nan 8.240 nan 0.000 0.468 140 A N 2.560 125.353 122.820 -0.044 0.000 2.425 140 A HA 0.464 4.784 4.320 -0.000 0.000 0.249 140 A C 1.208 178.786 177.584 -0.011 0.000 1.084 140 A CA -0.464 51.559 52.037 -0.023 0.000 0.781 140 A CB 0.115 19.095 19.000 -0.034 0.000 1.019 140 A HN 1.044 nan 8.150 nan 0.000 0.490 141 V N -0.343 119.572 119.914 0.003 0.000 3.330 141 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 141 V C 0.025 176.128 176.094 0.015 0.000 1.481 141 V CA 0.137 62.443 62.300 0.010 0.000 1.068 141 V CB -0.733 31.098 31.823 0.014 0.000 0.935 141 V HN 0.822 nan 8.190 nan 0.000 0.453 142 N N 0.056 118.764 118.700 0.014 0.000 2.324 142 N HA 0.573 5.313 4.740 -0.000 0.000 0.285 142 N C 0.653 176.170 175.510 0.012 0.000 1.076 142 N CA 0.456 53.517 53.050 0.018 0.000 0.864 142 N CB 2.582 41.085 38.487 0.027 0.000 1.632 142 N HN 0.104 nan 8.380 nan 0.000 0.478 143 A N 2.999 125.825 122.820 0.011 0.000 1.897 143 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 143 A C 2.038 179.628 177.584 0.011 0.000 1.181 143 A CA 1.836 53.872 52.037 -0.001 0.000 0.620 143 A CB -0.793 18.210 19.000 0.004 0.000 0.821 143 A HN 0.771 nan 8.150 nan 0.000 0.443 144 A N -0.156 122.684 122.820 0.032 0.000 1.940 144 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 144 A C 2.280 179.907 177.584 0.071 0.000 1.176 144 A CA 2.480 54.550 52.037 0.055 0.000 0.631 144 A CB -1.213 17.821 19.000 0.057 0.000 0.814 144 A HN 0.823 nan 8.150 nan 0.000 0.446 145 T N -3.078 111.513 114.554 0.061 0.000 3.107 145 T HA 0.184 4.534 4.350 -0.000 0.000 0.249 145 T C 1.472 176.225 174.700 0.089 0.000 1.096 145 T CA 0.651 62.803 62.100 0.087 0.000 1.012 145 T CB -0.115 68.800 68.868 0.079 0.000 0.977 145 T HN 0.143 nan 8.240 nan 0.000 0.527 146 L N 2.394 123.638 121.223 0.034 0.000 2.012 146 L HA 0.158 4.498 4.340 -0.000 0.000 0.210 146 L C -0.901 175.957 176.870 -0.020 0.000 1.073 146 L CA 1.784 56.621 54.840 -0.006 0.000 0.748 146 L CB -1.165 40.860 42.059 -0.055 0.000 0.891 146 L HN 0.108 nan 8.230 nan 0.000 0.431 147 P HA -0.220 nan 4.420 nan 0.000 0.215 147 P C 1.519 178.827 177.300 0.013 0.000 1.153 147 P CA 1.668 64.741 63.100 -0.045 0.000 0.853 147 P CB -0.327 31.356 31.700 -0.027 0.000 0.788 148 H N -0.221 118.834 119.070 -0.024 0.000 2.387 148 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 148 H C 1.629 176.944 175.328 -0.022 0.000 1.090 148 H CA 1.353 57.366 56.048 -0.058 0.000 1.332 148 H CB -0.350 29.386 29.762 -0.044 0.000 1.386 148 H HN -0.104 nan 8.280 nan 0.000 0.516 149 V N 1.580 121.493 119.914 -0.002 0.000 2.343 149 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 149 V C 2.819 178.883 176.094 -0.050 0.000 1.051 149 V CA 1.256 63.561 62.300 0.009 0.000 1.036 149 V CB -0.465 31.412 31.823 0.090 0.000 0.654 149 V HN 0.348 nan 8.190 nan 0.000 0.451 150 I N 0.575 121.098 120.570 -0.078 0.000 2.142 150 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 150 I C 2.389 178.406 176.117 -0.167 0.000 1.078 150 I CA 2.163 63.398 61.300 -0.108 0.000 1.343 150 I CB -1.344 36.591 38.000 -0.107 0.000 1.046 150 I HN 0.418 nan 8.210 nan 0.000 0.405 151 D N 0.689 121.002 120.400 -0.145 0.000 2.133 151 D HA -0.278 4.362 4.640 -0.000 0.000 0.195 151 D C 2.113 178.260 176.300 -0.254 0.000 0.997 151 D CA 1.592 55.531 54.000 -0.103 0.000 0.840 151 D CB 0.128 40.903 40.800 -0.042 0.000 0.947 151 D HN 0.255 nan 8.370 nan 0.000 0.452 152 E N -0.092 119.864 120.200 -0.406 0.000 2.077 152 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 152 E C 1.873 178.149 176.600 -0.540 0.000 0.989 152 E CA 1.470 57.586 56.400 -0.474 0.000 0.800 152 E CB -0.576 28.812 29.700 -0.521 0.000 0.746 152 E HN 0.313 nan 8.360 nan 0.000 0.452 153 A N 0.659 123.238 122.820 -0.401 0.000 1.865 153 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 153 A C 2.375 179.754 177.584 -0.340 0.000 1.191 153 A CA 1.838 53.712 52.037 -0.271 0.000 0.623 153 A CB -0.874 18.126 19.000 0.001 0.000 0.826 153 A HN 0.370 nan 8.150 nan 0.000 0.444 154 I N -1.242 119.066 120.570 -0.436 0.000 2.179 154 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 154 I C 2.748 178.507 176.117 -0.596 0.000 1.088 154 I CA 1.863 62.774 61.300 -0.648 0.000 1.357 154 I CB -0.357 36.989 38.000 -1.090 0.000 1.051 154 I HN 0.355 nan 8.210 nan 0.000 0.409 155 R N 0.979 121.178 120.500 -0.501 0.000 2.081 155 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 155 R C 2.498 178.672 176.300 -0.209 0.000 1.131 155 R CA 1.456 57.423 56.100 -0.222 0.000 0.960 155 R CB -0.064 30.218 30.300 -0.030 0.000 0.856 155 R HN 0.265 nan 8.270 nan 0.000 0.436 156 R N -0.361 119.937 120.500 -0.336 0.000 2.075 156 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 156 R C 2.362 178.472 176.300 -0.317 0.000 1.126 156 R CA 1.196 57.045 56.100 -0.418 0.000 0.963 156 R CB -0.330 29.741 30.300 -0.381 0.000 0.858 156 R HN 0.239 nan 8.270 nan 0.000 0.435 157 A N 0.571 123.245 122.820 -0.244 0.000 1.892 157 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 157 A C 1.835 179.314 177.584 -0.175 0.000 1.188 157 A CA 1.424 53.337 52.037 -0.208 0.000 0.631 157 A CB -0.736 18.078 19.000 -0.310 0.000 0.822 157 A HN 0.297 nan 8.150 nan 0.000 0.447 158 Y N -0.343 119.850 120.300 -0.179 0.000 2.133 158 Y HA -0.055 4.495 4.550 -0.000 0.000 0.287 158 Y C 2.985 178.869 175.900 -0.027 0.000 1.134 158 Y CA 0.849 58.910 58.100 -0.065 0.000 1.133 158 Y CB -0.797 37.660 38.460 -0.006 0.000 0.987 158 Y HN 0.321 nan 8.280 nan 0.000 0.502 159 A N -0.854 121.982 122.820 0.026 0.000 1.933 159 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 159 A C 1.450 179.021 177.584 -0.021 0.000 1.175 159 A CA 2.070 54.054 52.037 -0.088 0.000 0.628 159 A CB -0.947 17.859 19.000 -0.322 0.000 0.814 159 A HN 0.705 nan 8.150 nan 0.000 0.444 160 H N -1.871 117.232 119.070 0.054 0.000 2.652 160 H HA 0.175 4.731 4.556 -0.000 0.000 0.274 160 H C -0.291 175.060 175.328 0.039 0.000 1.021 160 H CA -0.190 55.878 56.048 0.035 0.000 1.187 160 H CB 0.447 30.220 29.762 0.017 0.000 1.505 160 H HN 0.294 nan 8.280 nan 0.000 0.530 161 Q N 0.584 120.460 119.800 0.127 0.000 2.453 161 Q HA -0.137 4.203 4.340 -0.000 0.000 0.330 161 Q C 0.235 176.286 176.000 0.085 0.000 1.417 161 Q CA 1.020 56.888 55.803 0.109 0.000 0.902 161 Q CB -1.531 27.297 28.738 0.151 0.000 1.154 161 Q HN 0.817 nan 8.270 nan 0.000 0.395 162 G N -2.111 106.705 108.800 0.027 0.000 2.731 162 G HA2 0.574 4.534 3.960 -0.000 0.000 0.309 162 G HA3 0.574 4.534 3.960 -0.000 0.000 0.309 162 G C -1.083 173.784 174.900 -0.055 0.000 1.273 162 G CA -0.246 44.853 45.100 -0.002 0.000 0.798 162 G HN 0.086 nan 8.290 nan 0.000 0.509 163 V N 1.047 120.923 119.914 -0.062 0.000 2.432 163 V HA 0.635 4.755 4.120 -0.000 0.000 0.275 163 V C 0.560 176.631 176.094 -0.039 0.000 1.043 163 V CA -0.171 62.080 62.300 -0.083 0.000 0.925 163 V CB 0.772 32.525 31.823 -0.117 0.000 0.985 163 V HN 1.115 nan 8.190 nan 0.000 0.466 164 A N 5.169 127.961 122.820 -0.046 0.000 2.304 164 A HA 0.843 5.163 4.320 -0.000 0.000 0.323 164 A C -0.742 176.821 177.584 -0.034 0.000 1.195 164 A CA -0.503 51.550 52.037 0.027 0.000 0.826 164 A CB 1.362 20.391 19.000 0.048 0.000 1.184 164 A HN 0.655 nan 8.150 nan 0.000 0.496 165 V N 2.759 122.641 119.914 -0.053 0.000 2.540 165 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 165 V C -0.652 175.336 176.094 -0.177 0.000 1.035 165 V CA -0.491 61.712 62.300 -0.161 0.000 0.873 165 V CB 1.749 33.432 31.823 -0.232 0.000 0.992 165 V HN 0.657 nan 8.190 nan 0.000 0.428 166 V N 4.431 124.239 119.914 -0.178 0.000 2.443 166 V HA 0.400 4.520 4.120 -0.000 0.000 0.293 166 V C -0.533 175.462 176.094 -0.165 0.000 1.021 166 V CA -0.791 61.416 62.300 -0.154 0.000 0.848 166 V CB 1.699 33.466 31.823 -0.093 0.000 0.998 166 V HN 0.952 nan 8.190 nan 0.000 0.424 167 Q N 4.542 124.253 119.800 -0.148 0.000 2.295 167 Q HA 0.600 4.940 4.340 -0.000 0.000 0.259 167 Q C -0.680 175.269 176.000 -0.086 0.000 0.976 167 Q CA 0.342 56.079 55.803 -0.110 0.000 0.923 167 Q CB 1.365 30.065 28.738 -0.064 0.000 1.185 167 Q HN 0.692 nan 8.270 nan 0.000 0.410 168 I N 4.799 125.315 120.570 -0.090 0.000 2.390 168 I HA 0.322 4.492 4.170 -0.000 0.000 0.283 168 I C -2.300 173.767 176.117 -0.083 0.000 1.016 168 I CA -2.612 58.630 61.300 -0.097 0.000 1.151 168 I CB 1.659 39.572 38.000 -0.143 0.000 1.293 168 I HN 0.341 nan 8.210 nan 0.000 0.458 169 P HA -0.051 nan 4.420 nan 0.000 0.263 169 P C 0.921 178.173 177.300 -0.080 0.000 1.195 169 P CA 0.164 63.248 63.100 -0.027 0.000 0.762 169 P CB 1.049 32.754 31.700 0.009 0.000 0.799 170 V N 3.617 123.468 119.914 -0.105 0.000 2.720 170 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 170 V C 1.566 177.569 176.094 -0.152 0.000 1.082 170 V CA 2.374 64.557 62.300 -0.195 0.000 1.101 170 V CB -0.873 30.832 31.823 -0.196 0.000 0.693 170 V HN 0.613 nan 8.190 nan 0.000 0.479 171 D N -0.405 119.984 120.400 -0.019 0.000 2.178 171 D HA -0.199 4.441 4.640 -0.000 0.000 0.202 171 D C 2.013 178.341 176.300 0.046 0.000 0.974 171 D CA 1.324 55.378 54.000 0.090 0.000 0.841 171 D CB -0.508 40.341 40.800 0.081 0.000 0.953 171 D HN 0.501 nan 8.370 nan 0.000 0.478 172 L N 0.420 121.625 121.223 -0.031 0.000 2.017 172 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 172 L C -0.318 176.506 176.870 -0.076 0.000 1.073 172 L CA 1.280 56.097 54.840 -0.038 0.000 0.745 172 L CB -1.842 40.186 42.059 -0.052 0.000 0.894 172 L HN 0.079 nan 8.230 nan 0.000 0.432 173 P HA -0.151 nan 4.420 nan 0.000 0.230 173 P C 0.954 178.132 177.300 -0.203 0.000 1.158 173 P CA 1.034 63.980 63.100 -0.257 0.000 0.769 173 P CB -0.040 31.408 31.700 -0.419 0.000 0.807 174 W N -0.119 121.133 121.300 -0.081 0.000 3.290 174 W HA 0.230 4.890 4.660 -0.000 0.000 0.287 174 W C 0.366 176.853 176.519 -0.053 0.000 1.288 174 W CA 0.113 57.417 57.345 -0.069 0.000 1.725 174 W CB -0.534 28.886 29.460 -0.067 0.000 1.103 174 W HN 0.125 nan 8.180 nan 0.000 0.670 175 Q N 1.103 120.984 119.800 0.135 0.000 2.259 175 Q HA 0.128 4.468 4.340 -0.000 0.000 0.249 175 Q C 0.438 176.470 176.000 0.054 0.000 0.914 175 Q CA -0.317 55.536 55.803 0.083 0.000 0.904 175 Q CB 1.179 29.951 28.738 0.055 0.000 1.213 175 Q HN -0.173 nan 8.270 nan 0.000 0.428 176 Q N 2.335 122.164 119.800 0.050 0.000 2.337 176 Q HA 0.291 4.631 4.340 -0.000 0.000 0.270 176 Q C -0.150 175.875 176.000 0.042 0.000 1.002 176 Q CA 0.330 56.158 55.803 0.042 0.000 0.888 176 Q CB 0.483 29.244 28.738 0.039 0.000 1.222 176 Q HN 0.586 nan 8.270 nan 0.000 0.400 177 I N -1.841 118.758 120.570 0.049 0.000 2.934 177 I HA 0.597 4.767 4.170 -0.000 0.000 0.306 177 I C -2.718 173.456 176.117 0.096 0.000 1.110 177 I CA -3.217 58.123 61.300 0.068 0.000 1.019 177 I CB 2.402 40.443 38.000 0.068 0.000 1.227 177 I HN 0.196 nan 8.210 nan 0.000 0.434 178 P HA 0.065 nan 4.420 nan 0.000 0.265 178 P C 0.293 177.695 177.300 0.170 0.000 1.193 178 P CA 0.143 63.308 63.100 0.109 0.000 0.765 178 P CB 1.051 32.804 31.700 0.089 0.000 0.823 179 A N 4.209 127.119 122.820 0.150 0.000 2.066 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 179 A C 1.625 179.300 177.584 0.151 0.000 1.157 179 A CA 1.215 53.377 52.037 0.208 0.000 0.670 179 A CB -0.633 18.454 19.000 0.144 0.000 0.804 179 A HN 0.639 nan 8.150 nan 0.000 0.453 180 E N -0.583 119.654 120.200 0.062 0.000 2.476 180 E HA -0.035 4.315 4.350 -0.000 0.000 0.199 180 E C 0.080 176.642 176.600 -0.064 0.000 1.021 180 E CA 0.543 56.919 56.400 -0.040 0.000 0.907 180 E CB -0.194 29.493 29.700 -0.022 0.000 0.974 180 E HN 0.408 nan 8.360 nan 0.000 0.489 181 D N 1.268 121.689 120.400 0.035 0.000 2.149 181 D HA -0.041 4.599 4.640 -0.000 0.000 0.206 181 D C 0.929 177.308 176.300 0.133 0.000 0.967 181 D CA 0.533 54.581 54.000 0.081 0.000 0.848 181 D CB -0.472 40.404 40.800 0.127 0.000 0.998 181 D HN 0.378 nan 8.370 nan 0.000 0.474 182 W N 2.135 123.503 121.300 0.114 0.000 2.170 182 W HA 0.334 4.994 4.660 -0.000 0.000 0.336 182 W C -0.622 176.015 176.519 0.196 0.000 1.283 182 W CA -0.687 56.725 57.345 0.111 0.000 1.224 182 W CB -0.345 29.141 29.460 0.044 0.000 1.132 182 W HN -0.023 nan 8.180 nan 0.000 0.571 183 Y N 0.292 120.671 120.300 0.131 0.000 2.625 183 Y HA 0.779 5.329 4.550 -0.000 0.000 0.338 183 Y C -1.309 174.757 175.900 0.276 0.000 1.123 183 Y CA -1.867 56.173 58.100 -0.100 0.000 1.046 183 Y CB 0.505 38.883 38.460 -0.136 0.000 1.299 183 Y HN 0.710 nan 8.280 nan 0.000 0.464 184 A N 0.667 123.643 122.820 0.260 0.000 2.325 184 A HA 0.569 4.889 4.320 -0.000 0.000 0.333 184 A C 0.243 177.952 177.584 0.210 0.000 1.155 184 A CA -0.321 51.841 52.037 0.209 0.000 0.814 184 A CB 0.676 19.787 19.000 0.186 0.000 1.206 184 A HN 1.219 nan 8.150 nan 0.000 0.482 185 S N 0.840 116.658 115.700 0.197 0.000 2.614 185 S HA 0.313 4.783 4.470 -0.000 0.000 0.230 185 S C 1.304 175.736 174.600 -0.281 0.000 0.952 185 S CA 0.446 58.742 58.200 0.160 0.000 0.949 185 S CB 0.024 63.425 63.200 0.335 0.000 0.786 185 S HN 1.229 nan 8.310 nan 0.000 0.478 186 A N 3.951 126.220 122.820 -0.918 0.000 1.978 186 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 186 A C 2.256 179.459 177.584 -0.634 0.000 1.170 186 A CA 1.699 52.787 52.037 -1.582 0.000 0.636 186 A CB -0.840 17.209 19.000 -1.585 0.000 0.810 186 A HN 0.814 nan 8.150 nan 0.000 0.448 187 N N 0.095 118.590 118.700 -0.342 0.000 2.309 187 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 187 N C 1.221 176.665 175.510 -0.110 0.000 1.018 187 N CA 1.679 54.622 53.050 -0.178 0.000 0.876 187 N CB -0.601 37.812 38.487 -0.122 0.000 0.972 187 N HN 0.334 nan 8.380 nan 0.000 0.434 188 S N -0.642 115.006 115.700 -0.087 0.000 2.527 188 S HA -0.021 4.449 4.470 -0.000 0.000 0.222 188 S C 0.249 174.843 174.600 -0.009 0.000 0.985 188 S CA -0.476 57.707 58.200 -0.028 0.000 0.921 188 S CB -0.461 62.751 63.200 0.021 0.000 0.772 188 S HN 0.490 nan 8.310 nan 0.000 0.529 189 Y N 4.683 124.897 120.300 -0.144 0.000 2.526 189 Y HA 0.206 4.756 4.550 -0.000 0.000 0.330 189 Y C 0.325 176.174 175.900 -0.084 0.000 1.156 189 Y CA -0.054 57.991 58.100 -0.092 0.000 1.419 189 Y CB 0.163 38.547 38.460 -0.128 0.000 1.250 189 Y HN 0.239 nan 8.280 nan 0.000 0.540 190 Q N 2.992 122.374 119.800 -0.696 0.000 2.511 190 Q HA 0.475 4.815 4.340 -0.000 0.000 0.289 190 Q C -1.403 174.215 176.000 -0.637 0.000 1.021 190 Q CA -1.078 54.418 55.803 -0.513 0.000 0.785 190 Q CB 1.652 30.253 28.738 -0.228 0.000 1.472 190 Q HN 0.630 nan 8.270 nan 0.000 0.411 191 T N -0.805 113.548 114.554 -0.333 0.000 2.875 191 T HA 0.595 4.945 4.350 -0.000 0.000 0.284 191 T C -1.883 172.736 174.700 -0.137 0.000 0.995 191 T CA -1.231 60.742 62.100 -0.211 0.000 1.060 191 T CB 0.721 69.538 68.868 -0.085 0.000 0.967 191 T HN 0.537 nan 8.240 nan 0.000 0.476 192 P HA 0.281 nan 4.420 nan 0.000 0.272 192 P C -1.014 176.259 177.300 -0.046 0.000 1.223 192 P CA -0.723 62.336 63.100 -0.068 0.000 0.784 192 P CB 0.451 32.122 31.700 -0.048 0.000 0.923 193 L N 2.760 123.959 121.223 -0.039 0.000 2.268 193 L HA 0.283 4.623 4.340 -0.000 0.000 0.289 193 L C 0.496 177.353 176.870 -0.021 0.000 1.064 193 L CA -0.073 54.750 54.840 -0.027 0.000 0.824 193 L CB -0.389 41.654 42.059 -0.026 0.000 1.202 193 L HN 0.302 nan 8.230 nan 0.000 0.433 194 L N 5.819 127.032 121.223 -0.016 0.000 2.395 194 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 194 L C -1.454 175.410 176.870 -0.010 0.000 1.133 194 L CA -1.701 53.132 54.840 -0.011 0.000 0.812 194 L CB 0.473 42.527 42.059 -0.008 0.000 1.125 194 L HN 0.475 nan 8.230 nan 0.000 0.452 195 P HA 0.120 nan 4.420 nan 0.000 0.273 195 P C -0.839 176.457 177.300 -0.007 0.000 1.250 195 P CA -0.526 62.570 63.100 -0.007 0.000 0.793 195 P CB 0.587 32.283 31.700 -0.006 0.000 1.011 196 E N 0.938 121.133 120.200 -0.007 0.000 2.366 196 E HA 0.241 4.591 4.350 -0.000 0.000 0.266 196 E C -1.776 174.820 176.600 -0.006 0.000 1.051 196 E CA -1.639 54.757 56.400 -0.007 0.000 0.884 196 E CB -0.613 29.082 29.700 -0.008 0.000 1.006 196 E HN 0.402 nan 8.360 nan 0.000 0.417 197 P HA 0.031 nan 4.420 nan 0.000 0.271 197 P C -0.298 176.999 177.300 -0.006 0.000 1.218 197 P CA -0.257 62.840 63.100 -0.005 0.000 0.780 197 P CB 0.517 32.214 31.700 -0.005 0.000 0.901 198 D N 0.867 121.264 120.400 -0.005 0.000 2.455 198 D HA -0.076 4.564 4.640 -0.000 0.000 0.241 198 D C 1.247 177.543 176.300 -0.008 0.000 1.138 198 D CA -0.051 53.945 54.000 -0.006 0.000 0.877 198 D CB 0.886 41.683 40.800 -0.005 0.000 1.187 198 D HN 0.024 nan 8.370 nan 0.000 0.451 199 V N 3.820 123.729 119.914 -0.008 0.000 2.469 199 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 199 V C 1.834 177.922 176.094 -0.011 0.000 1.064 199 V CA 2.039 64.333 62.300 -0.010 0.000 1.066 199 V CB -0.373 31.445 31.823 -0.010 0.000 0.667 199 V HN 0.647 nan 8.190 nan 0.000 0.461 200 Q N -0.436 119.358 119.800 -0.010 0.000 2.119 200 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 200 Q C 2.376 178.367 176.000 -0.014 0.000 0.972 200 Q CA 1.613 57.409 55.803 -0.012 0.000 0.847 200 Q CB -0.334 28.398 28.738 -0.010 0.000 0.903 200 Q HN 0.758 nan 8.270 nan 0.000 0.433 201 A N 0.469 123.283 122.820 -0.011 0.000 1.872 201 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 201 A C 2.347 179.923 177.584 -0.014 0.000 1.187 201 A CA 1.098 53.128 52.037 -0.011 0.000 0.614 201 A CB -0.699 18.297 19.000 -0.006 0.000 0.826 201 A HN 0.185 nan 8.150 nan 0.000 0.442 202 V N 0.075 119.982 119.914 -0.012 0.000 2.332 202 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 202 V C 2.753 178.836 176.094 -0.017 0.000 1.055 202 V CA 2.547 64.839 62.300 -0.013 0.000 1.038 202 V CB -1.308 30.507 31.823 -0.012 0.000 0.651 202 V HN 0.618 nan 8.190 nan 0.000 0.450 203 T N -0.797 113.746 114.554 -0.018 0.000 2.746 203 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 203 T C 2.083 176.766 174.700 -0.028 0.000 1.039 203 T CA 1.670 63.758 62.100 -0.021 0.000 1.142 203 T CB -0.229 68.628 68.868 -0.019 0.000 0.866 203 T HN 0.354 nan 8.240 nan 0.000 0.444 204 R N 0.229 120.711 120.500 -0.030 0.000 2.073 204 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 204 R C 2.492 178.761 176.300 -0.050 0.000 1.134 204 R CA 1.085 57.160 56.100 -0.042 0.000 0.952 204 R CB -0.478 29.799 30.300 -0.038 0.000 0.850 204 R HN 0.335 nan 8.270 nan 0.000 0.433 205 L N 0.264 121.464 121.223 -0.038 0.000 2.046 205 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 205 L C 1.962 178.812 176.870 -0.034 0.000 1.077 205 L CA 1.760 56.578 54.840 -0.037 0.000 0.747 205 L CB -0.322 41.724 42.059 -0.023 0.000 0.896 205 L HN 0.199 nan 8.230 nan 0.000 0.432 206 T N -0.731 113.806 114.554 -0.027 0.000 2.746 206 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 206 T C 1.801 176.485 174.700 -0.028 0.000 1.039 206 T CA 1.486 63.572 62.100 -0.022 0.000 1.142 206 T CB -0.236 68.620 68.868 -0.019 0.000 0.866 206 T HN 0.398 nan 8.240 nan 0.000 0.444 207 Q N 0.723 120.500 119.800 -0.038 0.000 2.084 207 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 207 Q C 2.240 178.207 176.000 -0.055 0.000 0.978 207 Q CA 1.663 57.441 55.803 -0.043 0.000 0.844 207 Q CB -0.604 28.105 28.738 -0.048 0.000 0.898 207 Q HN 0.467 nan 8.270 nan 0.000 0.426 208 T N 1.822 116.327 114.554 -0.081 0.000 2.777 208 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 208 T C 1.827 176.504 174.700 -0.039 0.000 1.040 208 T CA 1.049 63.080 62.100 -0.115 0.000 1.141 208 T CB -0.254 68.492 68.868 -0.203 0.000 0.868 208 T HN 0.193 nan 8.240 nan 0.000 0.444 209 L N 0.704 121.916 121.223 -0.019 0.000 2.046 209 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 209 L C 1.943 178.822 176.870 0.016 0.000 1.077 209 L CA 1.569 56.416 54.840 0.013 0.000 0.747 209 L CB -0.633 41.435 42.059 0.015 0.000 0.896 209 L HN 0.129 nan 8.230 nan 0.000 0.432 210 L N -0.394 120.829 121.223 0.001 0.000 2.156 210 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 210 L C 2.547 179.418 176.870 0.001 0.000 1.095 210 L CA 1.615 56.455 54.840 0.000 0.000 0.770 210 L CB -1.269 40.784 42.059 -0.009 0.000 0.914 210 L HN 0.301 nan 8.230 nan 0.000 0.439 211 A N -0.419 122.401 122.820 -0.001 0.000 2.172 211 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 211 A C 1.457 179.054 177.584 0.022 0.000 1.154 211 A CA 0.738 52.779 52.037 0.008 0.000 0.701 211 A CB -0.862 18.140 19.000 0.004 0.000 0.789 211 A HN 0.286 nan 8.150 nan 0.000 0.465 212 A N -0.123 122.711 122.820 0.022 0.000 2.425 212 A HA 0.372 4.692 4.320 -0.000 0.000 0.242 212 A C 0.785 178.338 177.584 -0.052 0.000 1.077 212 A CA 0.175 52.214 52.037 0.004 0.000 0.781 212 A CB 0.197 19.197 19.000 -0.000 0.000 1.020 212 A HN 0.521 nan 8.150 nan 0.000 0.494 213 E N 0.440 120.573 120.200 -0.112 0.000 2.216 213 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 213 E C 0.109 176.487 176.600 -0.370 0.000 0.973 213 E CA 0.563 56.873 56.400 -0.151 0.000 0.851 213 E CB 0.214 29.843 29.700 -0.119 0.000 0.804 213 E HN 0.633 nan 8.360 nan 0.000 0.477 214 R N 1.519 121.659 120.500 -0.601 0.000 2.681 214 R HA 0.223 4.563 4.340 -0.000 0.000 0.277 214 R C -2.631 173.162 176.300 -0.845 0.000 1.563 214 R CA -1.426 53.787 56.100 -1.479 0.000 1.673 214 R CB 1.152 30.424 30.300 -1.714 0.000 1.258 214 R HN 0.060 nan 8.270 nan 0.000 0.650 215 P HA 0.205 nan 4.420 nan 0.000 0.277 215 P C -0.582 176.924 177.300 0.344 0.000 1.240 215 P CA -0.125 63.018 63.100 0.072 0.000 0.798 215 P CB 1.465 33.232 31.700 0.111 0.000 0.979 216 L N 1.905 123.288 121.223 0.266 0.000 2.409 216 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 216 L C 0.000 177.015 176.870 0.240 0.000 0.992 216 L CA -0.944 54.073 54.840 0.294 0.000 0.817 216 L CB 2.233 44.454 42.059 0.269 0.000 1.350 216 L HN 0.236 nan 8.230 nan 0.000 0.411 217 I N 2.402 123.130 120.570 0.263 0.000 2.339 217 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 217 I C -1.263 175.076 176.117 0.369 0.000 0.994 217 I CA -0.505 60.964 61.300 0.282 0.000 1.191 217 I CB 1.260 39.422 38.000 0.270 0.000 1.343 217 I HN 0.407 nan 8.210 nan 0.000 0.458 218 Y N 9.453 129.856 120.300 0.172 0.000 2.555 218 Y HA 0.380 4.930 4.550 -0.000 0.000 0.326 218 Y C -1.067 174.845 175.900 0.020 0.000 0.984 218 Y CA -1.822 56.331 58.100 0.089 0.000 1.298 218 Y CB 0.306 38.886 38.460 0.200 0.000 1.094 218 Y HN 0.458 nan 8.280 nan 0.000 0.500 219 Y N 2.569 122.988 120.300 0.199 0.000 2.453 219 Y HA 0.958 5.508 4.550 -0.000 0.000 0.326 219 Y C 0.227 176.099 175.900 -0.047 0.000 1.186 219 Y CA -1.127 56.964 58.100 -0.014 0.000 1.200 219 Y CB 1.058 39.542 38.460 0.040 0.000 1.247 219 Y HN 0.539 nan 8.280 nan 0.000 0.482 220 G N 0.745 109.555 108.800 0.017 0.000 3.175 220 G HA2 0.378 4.338 3.960 -0.000 0.000 0.255 220 G HA3 0.378 4.338 3.960 -0.000 0.000 0.255 220 G C 0.294 175.269 174.900 0.124 0.000 1.352 220 G CA -0.731 44.378 45.100 0.015 0.000 1.037 220 G HN 1.104 nan 8.290 nan 0.000 0.556 221 I N -1.517 119.103 120.570 0.084 0.000 3.176 221 I HA 0.135 4.305 4.170 -0.000 0.000 0.275 221 I C 1.915 178.072 176.117 0.067 0.000 1.298 221 I CA 0.980 62.330 61.300 0.083 0.000 1.445 221 I CB -0.248 37.785 38.000 0.054 0.000 1.075 221 I HN 0.411 nan 8.210 nan 0.000 0.482 222 G N 1.341 110.168 108.800 0.045 0.000 2.498 222 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.219 222 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.219 222 G C 1.376 176.287 174.900 0.019 0.000 1.119 222 G CA 0.542 45.657 45.100 0.024 0.000 0.766 222 G HN 0.604 nan 8.290 nan 0.000 0.552 223 A N -0.017 122.824 122.820 0.035 0.000 2.462 223 A HA 0.383 4.703 4.320 -0.000 0.000 0.261 223 A C 1.995 179.569 177.584 -0.017 0.000 1.323 223 A CA -0.279 51.758 52.037 -0.001 0.000 0.913 223 A CB -0.178 18.811 19.000 -0.018 0.000 1.028 223 A HN 0.251 nan 8.150 nan 0.000 0.511 224 R N 0.348 120.857 120.500 0.016 0.000 2.152 224 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 224 R C 0.967 177.260 176.300 -0.011 0.000 1.117 224 R CA 1.318 57.425 56.100 0.012 0.000 0.981 224 R CB -0.056 30.262 30.300 0.029 0.000 0.870 224 R HN 0.462 nan 8.270 nan 0.000 0.451 225 K N -0.559 119.832 120.400 -0.015 0.000 2.444 225 K HA 0.114 4.434 4.320 -0.000 0.000 0.193 225 K C 0.905 177.477 176.600 -0.046 0.000 1.024 225 K CA 0.327 56.602 56.287 -0.021 0.000 1.077 225 K CB 0.806 33.302 32.500 -0.008 0.000 0.833 225 K HN 0.036 nan 8.250 nan 0.000 0.517 226 A N 0.392 123.167 122.820 -0.075 0.000 2.574 226 A HA 0.263 4.583 4.320 -0.000 0.000 0.283 226 A C 1.668 179.158 177.584 -0.158 0.000 1.270 226 A CA -0.010 51.965 52.037 -0.103 0.000 0.945 226 A CB -0.082 18.856 19.000 -0.103 0.000 1.127 226 A HN 0.291 nan 8.150 nan 0.000 0.522 227 G N 1.028 109.739 108.800 -0.150 0.000 2.513 227 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 227 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 227 G C 1.566 176.363 174.900 -0.171 0.000 1.160 227 G CA 1.466 46.459 45.100 -0.179 0.000 0.767 227 G HN 0.550 nan 8.290 nan 0.000 0.571 228 K N 0.146 120.472 120.400 -0.122 0.000 2.026 228 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 228 K C 2.551 179.083 176.600 -0.114 0.000 1.048 228 K CA 1.682 57.905 56.287 -0.107 0.000 0.929 228 K CB -0.094 32.362 32.500 -0.073 0.000 0.713 228 K HN 0.269 nan 8.250 nan 0.000 0.439 229 E N 0.599 120.736 120.200 -0.105 0.000 2.077 229 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 229 E C 1.904 178.439 176.600 -0.108 0.000 0.989 229 E CA 1.045 57.391 56.400 -0.091 0.000 0.800 229 E CB -0.095 29.560 29.700 -0.075 0.000 0.746 229 E HN 0.242 nan 8.360 nan 0.000 0.452 230 L N 0.544 121.672 121.223 -0.159 0.000 1.994 230 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 230 L C 2.607 179.386 176.870 -0.152 0.000 1.071 230 L CA 1.611 56.343 54.840 -0.179 0.000 0.745 230 L CB -0.310 41.526 42.059 -0.371 0.000 0.892 230 L HN 0.193 nan 8.230 nan 0.000 0.431 231 E N -0.440 119.616 120.200 -0.239 0.000 2.106 231 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 231 E C 2.204 178.669 176.600 -0.224 0.000 0.984 231 E CA 1.087 57.256 56.400 -0.385 0.000 0.806 231 E CB 0.077 29.481 29.700 -0.493 0.000 0.750 231 E HN 0.430 nan 8.360 nan 0.000 0.458 232 Q N 0.212 119.930 119.800 -0.137 0.000 2.083 232 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 232 Q C 2.371 178.345 176.000 -0.043 0.000 0.969 232 Q CA 0.870 56.630 55.803 -0.072 0.000 0.838 232 Q CB 0.046 28.747 28.738 -0.062 0.000 0.900 232 Q HN 0.329 nan 8.270 nan 0.000 0.436 233 L N -0.071 121.128 121.223 -0.040 0.000 2.012 233 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 233 L C 2.696 179.573 176.870 0.011 0.000 1.073 233 L CA 1.488 56.318 54.840 -0.015 0.000 0.748 233 L CB -0.627 41.429 42.059 -0.004 0.000 0.891 233 L HN 0.261 nan 8.230 nan 0.000 0.431 234 S N -0.191 115.549 115.700 0.066 0.000 2.359 234 S HA -0.264 4.206 4.470 -0.000 0.000 0.223 234 S C 2.016 176.678 174.600 0.104 0.000 1.039 234 S CA 1.832 60.147 58.200 0.191 0.000 1.042 234 S CB -0.081 63.349 63.200 0.383 0.000 0.915 234 S HN 0.319 nan 8.310 nan 0.000 0.439 235 K N -0.164 120.322 120.400 0.144 0.000 2.026 235 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 235 K C 2.383 178.896 176.600 -0.146 0.000 1.048 235 K CA 1.860 58.195 56.287 0.080 0.000 0.929 235 K CB -0.634 31.956 32.500 0.150 0.000 0.713 235 K HN 0.379 nan 8.250 nan 0.000 0.439 236 T N 1.669 116.165 114.554 -0.097 0.000 2.708 236 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 236 T C 1.737 176.333 174.700 -0.174 0.000 1.037 236 T CA 1.153 63.186 62.100 -0.113 0.000 1.146 236 T CB -0.093 68.736 68.868 -0.065 0.000 0.865 236 T HN 0.106 nan 8.240 nan 0.000 0.435 237 L N 0.016 121.139 121.223 -0.167 0.000 2.529 237 L HA 0.187 4.527 4.340 -0.000 0.000 0.223 237 L C 0.230 176.940 176.870 -0.267 0.000 1.113 237 L CA 0.033 54.781 54.840 -0.153 0.000 0.861 237 L CB -0.072 41.950 42.059 -0.061 0.000 1.012 237 L HN 0.099 nan 8.230 nan 0.000 0.461 238 K N 0.982 121.047 120.400 -0.560 0.000 3.239 238 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 238 K C -0.624 175.850 176.600 -0.209 0.000 1.049 238 K CA 0.785 56.388 56.287 -1.141 0.000 0.769 238 K CB -2.261 29.599 32.500 -1.068 0.000 1.305 238 K HN 0.326 nan 8.250 nan 0.000 0.469 239 I N 1.153 121.770 120.570 0.078 0.000 2.382 239 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 239 I C -2.092 174.319 176.117 0.490 0.000 1.002 239 I CA -2.396 59.112 61.300 0.346 0.000 1.135 239 I CB 1.913 40.050 38.000 0.228 0.000 1.288 239 I HN -0.169 nan 8.210 nan 0.000 0.448 240 P HA 0.174 nan 4.420 nan 0.000 0.270 240 P C -0.910 176.566 177.300 0.293 0.000 1.223 240 P CA -0.063 63.206 63.100 0.283 0.000 0.785 240 P CB 0.605 32.301 31.700 -0.008 0.000 0.923 241 L N 2.502 123.905 121.223 0.300 0.000 2.329 241 L HA 0.615 4.954 4.340 -0.000 0.000 0.279 241 L C 0.376 177.338 176.870 0.153 0.000 1.014 241 L CA -0.606 54.460 54.840 0.377 0.000 0.814 241 L CB 1.075 43.518 42.059 0.640 0.000 1.257 241 L HN 0.384 nan 8.230 nan 0.000 0.424 242 M N 1.492 121.125 119.600 0.055 0.000 2.658 242 M HA 0.833 5.313 4.480 -0.000 0.000 0.295 242 M C -0.714 175.429 176.300 -0.261 0.000 1.248 242 M CA -0.497 54.669 55.300 -0.223 0.000 0.843 242 M CB 2.438 34.799 32.600 -0.398 0.000 1.749 242 M HN 0.488 nan 8.290 nan 0.000 0.464 243 S N -0.410 115.152 115.700 -0.231 0.000 2.685 243 S HA 0.767 5.237 4.470 -0.000 0.000 0.282 243 S C -0.278 174.414 174.600 0.153 0.000 1.159 243 S CA -0.255 57.800 58.200 -0.243 0.000 0.833 243 S CB 1.525 64.480 63.200 -0.409 0.000 1.151 243 S HN 0.981 nan 8.310 nan 0.000 0.485 244 T N -0.323 114.317 114.554 0.145 0.000 2.860 244 T HA 0.230 4.579 4.350 -0.000 0.000 0.299 244 T C 0.939 175.813 174.700 0.289 0.000 1.045 244 T CA -0.118 62.137 62.100 0.258 0.000 1.071 244 T CB 0.063 69.054 68.868 0.205 0.000 0.985 244 T HN 0.835 nan 8.240 nan 0.000 0.537 245 Y N 3.366 123.814 120.300 0.247 0.000 2.081 245 Y HA 0.005 4.555 4.550 -0.000 0.000 0.280 245 Y C -1.103 174.964 175.900 0.278 0.000 1.163 245 Y CA 1.229 59.470 58.100 0.236 0.000 1.135 245 Y CB -2.021 36.573 38.460 0.222 0.000 0.970 245 Y HN 0.514 nan 8.280 nan 0.000 0.498 246 P HA -0.117 nan 4.420 nan 0.000 0.219 246 P C 1.164 178.433 177.300 -0.052 0.000 1.146 246 P CA 2.323 65.248 63.100 -0.291 0.000 0.808 246 P CB -0.359 31.221 31.700 -0.201 0.000 0.779 247 A N -0.896 121.981 122.820 0.095 0.000 2.235 247 A HA -0.064 4.256 4.320 -0.000 0.000 0.208 247 A C 1.168 178.915 177.584 0.271 0.000 1.172 247 A CA 0.016 52.168 52.037 0.191 0.000 0.786 247 A CB -1.031 18.099 19.000 0.216 0.000 0.804 247 A HN 0.098 nan 8.150 nan 0.000 0.479 248 K N -0.027 120.551 120.400 0.296 0.000 2.484 248 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 248 K C 1.146 177.867 176.600 0.202 0.000 1.013 248 K CA 0.982 57.408 56.287 0.230 0.000 1.029 248 K CB -0.124 32.493 32.500 0.196 0.000 0.902 248 K HN 0.654 nan 8.250 nan 0.000 0.481 249 G N 3.844 112.654 108.800 0.017 0.000 2.254 249 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 249 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 249 G C 0.886 175.801 174.900 0.026 0.000 1.003 249 G CA 0.240 45.358 45.100 0.032 0.000 0.622 249 G HN 0.640 nan 8.290 nan 0.000 0.507 250 I N 0.640 121.248 120.570 0.063 0.000 2.226 250 I HA -0.006 4.164 4.170 -0.000 0.000 0.245 250 I C 1.116 177.195 176.117 -0.063 0.000 1.100 250 I CA 1.292 62.607 61.300 0.025 0.000 1.374 250 I CB -0.121 37.931 38.000 0.086 0.000 1.057 250 I HN 0.108 nan 8.210 nan 0.000 0.413 251 V N 1.323 121.187 119.914 -0.083 0.000 2.483 251 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 251 V C 0.331 176.326 176.094 -0.166 0.000 1.035 251 V CA -1.165 61.052 62.300 -0.139 0.000 0.896 251 V CB 1.412 33.168 31.823 -0.112 0.000 0.986 251 V HN 0.238 nan 8.190 nan 0.000 0.447 252 A N 2.809 125.573 122.820 -0.092 0.000 2.540 252 A HA 0.089 4.409 4.320 -0.000 0.000 0.239 252 A C 1.187 178.728 177.584 -0.072 0.000 1.061 252 A CA -0.043 51.960 52.037 -0.056 0.000 0.758 252 A CB -0.090 18.913 19.000 0.005 0.000 0.991 252 A HN 0.931 nan 8.150 nan 0.000 0.502 253 D N 1.594 121.941 120.400 -0.089 0.000 2.182 253 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 253 D C 1.817 178.177 176.300 0.099 0.000 0.986 253 D CA 1.264 55.254 54.000 -0.017 0.000 0.847 253 D CB -0.013 40.796 40.800 0.016 0.000 0.942 253 D HN 0.661 nan 8.370 nan 0.000 0.467 254 R N -0.238 120.306 120.500 0.074 0.000 2.159 254 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 254 R C 0.626 176.999 176.300 0.122 0.000 1.131 254 R CA 0.171 56.320 56.100 0.081 0.000 0.982 254 R CB -0.332 30.009 30.300 0.068 0.000 0.868 254 R HN 0.195 nan 8.270 nan 0.000 0.453 255 Y N 2.579 122.907 120.300 0.046 0.000 2.804 255 Y HA -0.026 4.524 4.550 -0.000 0.000 0.338 255 Y C -1.804 174.143 175.900 0.078 0.000 1.252 255 Y CA -2.308 55.834 58.100 0.070 0.000 1.576 255 Y CB 0.839 39.351 38.460 0.087 0.000 1.223 255 Y HN -0.023 nan 8.280 nan 0.000 0.536 256 P HA -0.086 nan 4.420 nan 0.000 0.225 256 P C 0.241 177.163 177.300 -0.630 0.000 1.148 256 P CA 1.906 64.727 63.100 -0.464 0.000 0.779 256 P CB 0.244 31.718 31.700 -0.378 0.000 0.780 257 A N -2.414 119.796 122.820 -1.018 0.000 2.500 257 A HA 0.134 4.454 4.320 -0.000 0.000 0.267 257 A C -0.045 177.467 177.584 -0.120 0.000 1.290 257 A CA -0.347 51.317 52.037 -0.622 0.000 0.928 257 A CB -0.970 17.693 19.000 -0.561 0.000 1.066 257 A HN 0.061 nan 8.150 nan 0.000 0.516 258 Y N 1.086 121.325 120.300 -0.101 0.000 2.436 258 Y HA 0.363 4.913 4.550 -0.000 0.000 0.343 258 Y C 0.749 176.641 175.900 -0.014 0.000 1.008 258 Y CA -0.595 57.573 58.100 0.114 0.000 1.241 258 Y CB 0.464 39.064 38.460 0.234 0.000 1.153 258 Y HN 0.198 nan 8.280 nan 0.000 0.521 259 L N 5.502 126.375 121.223 -0.582 0.000 2.375 259 L HA 0.274 4.614 4.340 -0.000 0.000 0.215 259 L C 1.395 177.846 176.870 -0.699 0.000 1.108 259 L CA 0.601 55.116 54.840 -0.541 0.000 0.830 259 L CB -0.741 41.067 42.059 -0.419 0.000 0.959 259 L HN 0.993 nan 8.230 nan 0.000 0.457 260 G N 0.290 108.330 108.800 -1.267 0.000 2.472 260 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.205 260 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.205 260 G C -0.403 174.229 174.900 -0.446 0.000 1.270 260 G CA -0.262 44.381 45.100 -0.762 0.000 0.974 260 G HN 0.337 nan 8.290 nan 0.000 0.542 261 S N -0.486 115.104 115.700 -0.182 0.000 2.648 261 S HA 0.972 5.442 4.470 -0.000 0.000 0.305 261 S C 0.275 174.792 174.600 -0.139 0.000 1.094 261 S CA 0.596 58.748 58.200 -0.081 0.000 0.983 261 S CB 1.848 65.133 63.200 0.142 0.000 1.101 261 S HN 2.440 nan 8.310 nan 0.000 0.514 262 A N 0.778 123.530 122.820 -0.113 0.000 2.261 262 A HA 0.798 5.118 4.320 -0.000 0.000 0.323 262 A C 0.664 178.274 177.584 0.044 0.000 1.107 262 A CA -0.217 51.751 52.037 -0.116 0.000 0.883 262 A CB 0.051 18.915 19.000 -0.226 0.000 1.251 262 A HN 1.289 nan 8.150 nan 0.000 0.502 263 N N -1.348 117.343 118.700 -0.015 0.000 1.801 263 N HA -0.223 4.517 4.740 -0.000 0.000 0.197 263 N C 1.153 176.565 175.510 -0.164 0.000 0.799 263 N CA 1.576 54.554 53.050 -0.121 0.000 1.298 263 N CB -0.931 37.367 38.487 -0.314 0.000 1.565 263 N HN 0.743 nan 8.380 nan 0.000 0.408 264 R N 0.340 120.726 120.500 -0.191 0.000 2.167 264 R HA 0.338 4.678 4.340 -0.000 0.000 0.195 264 R C 0.174 176.507 176.300 0.055 0.000 1.027 264 R CA 0.708 56.750 56.100 -0.098 0.000 1.114 264 R CB 0.362 30.571 30.300 -0.152 0.000 1.075 264 R HN 0.211 nan 8.270 nan 0.000 0.538 265 V N 2.686 122.655 119.914 0.092 0.000 2.229 265 V HA 0.413 4.533 4.120 -0.000 0.000 0.245 265 V C -0.267 175.828 176.094 0.003 0.000 1.243 265 V CA 0.107 62.410 62.300 0.004 0.000 1.176 265 V CB 0.095 31.788 31.823 -0.217 0.000 1.323 265 V HN 0.396 nan 8.190 nan 0.000 0.499 266 A N 4.502 127.322 122.820 -0.001 0.000 2.609 266 A HA 0.837 5.157 4.320 -0.000 0.000 0.291 266 A C -1.082 176.457 177.584 -0.074 0.000 1.096 266 A CA -0.798 51.214 52.037 -0.042 0.000 0.684 266 A CB 1.827 20.777 19.000 -0.084 0.000 1.282 266 A HN 0.495 nan 8.150 nan 0.000 0.412 267 Q N 0.644 120.316 119.800 -0.212 0.000 2.375 267 Q HA 0.315 4.655 4.340 -0.000 0.000 0.271 267 Q C 0.342 175.859 176.000 -0.806 0.000 1.074 267 Q CA -0.776 54.759 55.803 -0.447 0.000 0.808 267 Q CB 2.682 31.256 28.738 -0.273 0.000 1.327 267 Q HN 0.865 nan 8.270 nan 0.000 0.441 268 K N 2.324 121.876 120.400 -1.415 0.000 2.034 268 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 268 K C -1.035 175.143 176.600 -0.703 0.000 1.051 268 K CA 2.120 57.802 56.287 -1.009 0.000 0.931 268 K CB -0.620 31.234 32.500 -1.076 0.000 0.715 268 K HN 0.334 nan 8.250 nan 0.000 0.446 269 P HA -0.094 nan 4.420 nan 0.000 0.218 269 P C 0.766 177.829 177.300 -0.395 0.000 1.149 269 P CA 1.709 64.525 63.100 -0.474 0.000 0.817 269 P CB -0.008 31.428 31.700 -0.440 0.000 0.785 270 A N -0.407 122.154 122.820 -0.432 0.000 1.897 270 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 270 A C 2.191 179.590 177.584 -0.310 0.000 1.181 270 A CA 1.587 53.398 52.037 -0.376 0.000 0.620 270 A CB -1.359 17.394 19.000 -0.412 0.000 0.821 270 A HN 0.089 nan 8.150 nan 0.000 0.443 271 N N 0.058 118.578 118.700 -0.301 0.000 2.120 271 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 271 N C 1.699 177.102 175.510 -0.179 0.000 1.024 271 N CA 1.589 54.501 53.050 -0.229 0.000 0.852 271 N CB -0.377 37.976 38.487 -0.224 0.000 1.003 271 N HN 0.649 nan 8.380 nan 0.000 0.424 272 E N 0.522 120.606 120.200 -0.194 0.000 2.051 272 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 272 E C 1.937 178.504 176.600 -0.054 0.000 0.991 272 E CA 1.136 57.460 56.400 -0.128 0.000 0.799 272 E CB -0.097 29.516 29.700 -0.144 0.000 0.748 272 E HN 0.341 nan 8.360 nan 0.000 0.449 273 A N 1.299 124.070 122.820 -0.081 0.000 1.902 273 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 273 A C 2.171 179.853 177.584 0.163 0.000 1.181 273 A CA 1.013 53.083 52.037 0.055 0.000 0.623 273 A CB -0.594 18.348 19.000 -0.097 0.000 0.818 273 A HN 0.219 nan 8.150 nan 0.000 0.443 274 L N -0.029 121.199 121.223 0.008 0.000 2.081 274 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 274 L C 2.606 179.501 176.870 0.042 0.000 1.080 274 L CA 2.191 57.038 54.840 0.012 0.000 0.754 274 L CB -0.763 41.223 42.059 -0.122 0.000 0.893 274 L HN 0.359 nan 8.230 nan 0.000 0.433 275 A N -1.768 121.058 122.820 0.009 0.000 2.067 275 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 275 A C 2.060 179.667 177.584 0.039 0.000 1.158 275 A CA 1.388 53.428 52.037 0.005 0.000 0.661 275 A CB -0.301 18.684 19.000 -0.025 0.000 0.801 275 A HN 0.588 nan 8.150 nan 0.000 0.452 276 Q N -0.833 119.027 119.800 0.101 0.000 2.392 276 Q HA 0.324 4.663 4.340 -0.000 0.000 0.219 276 Q C 0.911 176.887 176.000 -0.041 0.000 0.895 276 Q CA 0.662 56.521 55.803 0.093 0.000 0.929 276 Q CB -0.408 28.495 28.738 0.275 0.000 1.077 276 Q HN 0.557 nan 8.270 nan 0.000 0.532 277 A N 2.755 125.585 122.820 0.016 0.000 2.540 277 A HA 0.045 4.364 4.320 -0.000 0.000 0.239 277 A C 0.813 178.336 177.584 -0.102 0.000 1.061 277 A CA 0.383 52.361 52.037 -0.097 0.000 0.758 277 A CB 0.157 19.218 19.000 0.101 0.000 0.991 277 A HN 0.258 nan 8.150 nan 0.000 0.502 278 D N 1.111 121.401 120.400 -0.184 0.000 2.301 278 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 278 D C 0.090 176.374 176.300 -0.026 0.000 0.979 278 D CA 0.595 54.526 54.000 -0.114 0.000 0.874 278 D CB -0.089 40.621 40.800 -0.149 0.000 0.968 278 D HN 0.186 nan 8.370 nan 0.000 0.510 279 V N 1.127 121.045 119.914 0.007 0.000 2.577 279 V HA 0.384 4.504 4.120 -0.000 0.000 0.303 279 V C -0.621 175.523 176.094 0.084 0.000 1.042 279 V CA -0.970 61.383 62.300 0.088 0.000 0.872 279 V CB 2.559 34.454 31.823 0.120 0.000 0.998 279 V HN -0.075 nan 8.190 nan 0.000 0.423 280 V N 5.678 125.630 119.914 0.062 0.000 2.409 280 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 280 V C -0.442 175.570 176.094 -0.136 0.000 1.020 280 V CA -0.622 61.690 62.300 0.020 0.000 0.848 280 V CB 1.774 33.638 31.823 0.067 0.000 0.990 280 V HN 0.672 nan 8.190 nan 0.000 0.430 281 L N 6.248 127.462 121.223 -0.016 0.000 2.295 281 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 281 L C -0.795 176.087 176.870 0.021 0.000 1.079 281 L CA 0.108 54.927 54.840 -0.035 0.000 0.830 281 L CB 0.216 42.296 42.059 0.035 0.000 1.200 281 L HN 0.537 nan 8.230 nan 0.000 0.438 282 F N 6.068 125.807 119.950 -0.353 0.000 2.334 282 F HA 0.512 5.039 4.527 -0.000 0.000 0.367 282 F C -0.575 175.141 175.800 -0.140 0.000 1.115 282 F CA -0.442 57.373 58.000 -0.309 0.000 1.116 282 F CB 1.189 39.791 39.000 -0.664 0.000 1.230 282 F HN 0.265 nan 8.300 nan 0.000 0.484 283 V N 6.637 126.419 119.914 -0.220 0.000 2.487 283 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 283 V C 0.313 176.305 176.094 -0.170 0.000 1.028 283 V CA 0.053 62.278 62.300 -0.125 0.000 0.860 283 V CB 1.074 32.892 31.823 -0.009 0.000 0.991 283 V HN 1.076 nan 8.190 nan 0.000 0.427 284 G N 4.806 113.524 108.800 -0.137 0.000 2.366 284 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G C -0.069 174.723 174.900 -0.180 0.000 1.020 284 G CA 0.846 45.885 45.100 -0.102 0.000 1.026 284 G HN 1.101 nan 8.290 nan 0.000 0.512 285 N N -0.296 118.179 118.700 -0.376 0.000 2.352 285 N HA 0.414 5.154 4.740 -0.000 0.000 0.291 285 N C -0.392 174.920 175.510 -0.330 0.000 1.040 285 N CA -0.886 51.808 53.050 -0.593 0.000 0.864 285 N CB 1.531 39.114 38.487 -1.508 0.000 1.440 285 N HN 0.083 nan 8.380 nan 0.000 0.483 286 N N 2.720 121.407 118.700 -0.021 0.000 2.497 286 N HA 0.064 4.804 4.740 -0.000 0.000 0.284 286 N C -1.209 174.477 175.510 0.294 0.000 1.459 286 N CA -0.412 52.754 53.050 0.194 0.000 0.899 286 N CB -0.229 38.337 38.487 0.133 0.000 1.316 286 N HN 0.445 nan 8.380 nan 0.000 0.500 287 Y N 2.141 122.573 120.300 0.220 0.000 2.861 287 Y HA -0.051 4.499 4.550 -0.000 0.000 0.375 287 Y C -1.356 174.675 175.900 0.219 0.000 1.293 287 Y CA -0.725 57.541 58.100 0.277 0.000 1.651 287 Y CB 0.651 39.367 38.460 0.426 0.000 1.156 287 Y HN 0.313 nan 8.280 nan 0.000 0.533 288 P HA -0.066 nan 4.420 nan 0.000 0.241 288 P C 0.520 177.434 177.300 -0.644 0.000 1.191 288 P CA 0.994 63.846 63.100 -0.413 0.000 0.771 288 P CB -0.007 31.392 31.700 -0.502 0.000 0.929 289 F N -0.187 119.355 119.950 -0.681 0.000 2.765 289 F HA 0.344 4.871 4.527 -0.000 0.000 0.302 289 F C 2.353 177.939 175.800 -0.358 0.000 1.111 289 F CA -0.029 57.646 58.000 -0.542 0.000 1.359 289 F CB -0.944 37.696 39.000 -0.601 0.000 1.097 289 F HN -0.077 nan 8.300 nan 0.000 0.577 290 A N 0.785 123.548 122.820 -0.095 0.000 1.849 290 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 290 A C 2.098 179.722 177.584 0.067 0.000 1.202 290 A CA 2.310 54.448 52.037 0.169 0.000 0.629 290 A CB -0.692 18.556 19.000 0.414 0.000 0.834 290 A HN 0.351 nan 8.150 nan 0.000 0.447 291 E N -0.382 119.860 120.200 0.070 0.000 2.028 291 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 291 E C 2.106 178.727 176.600 0.034 0.000 0.988 291 E CA 1.610 58.043 56.400 0.056 0.000 0.799 291 E CB -0.585 29.142 29.700 0.044 0.000 0.755 291 E HN 0.615 nan 8.360 nan 0.000 0.447 292 V N -0.136 119.796 119.914 0.030 0.000 2.490 292 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 292 V C 2.020 178.140 176.094 0.044 0.000 1.061 292 V CA 1.894 64.218 62.300 0.040 0.000 1.064 292 V CB -0.783 31.073 31.823 0.055 0.000 0.670 292 V HN 0.312 nan 8.190 nan 0.000 0.461 293 S N -0.879 114.850 115.700 0.049 0.000 2.575 293 S HA 0.156 4.626 4.470 -0.000 0.000 0.215 293 S C 0.899 175.490 174.600 -0.016 0.000 0.966 293 S CA 0.144 58.357 58.200 0.022 0.000 0.911 293 S CB -0.649 62.573 63.200 0.037 0.000 0.780 293 S HN 0.731 nan 8.310 nan 0.000 0.514 294 K N 0.476 120.867 120.400 -0.015 0.000 3.071 294 K HA -0.228 4.092 4.320 -0.000 0.000 0.262 294 K C 1.085 177.620 176.600 -0.108 0.000 0.977 294 K CA 0.362 56.631 56.287 -0.030 0.000 0.721 294 K CB -2.163 30.330 32.500 -0.011 0.000 1.293 294 K HN 0.559 nan 8.250 nan 0.000 0.475 295 A N 0.179 122.858 122.820 -0.235 0.000 1.978 295 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 295 A C 1.212 178.463 177.584 -0.555 0.000 1.170 295 A CA 1.324 53.088 52.037 -0.455 0.000 0.636 295 A CB -0.228 18.377 19.000 -0.659 0.000 0.810 295 A HN 0.383 nan 8.150 nan 0.000 0.448 296 F N -0.239 119.639 119.950 -0.120 0.000 2.708 296 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 296 F C 1.703 177.360 175.800 -0.239 0.000 1.118 296 F CA -0.100 57.712 58.000 -0.313 0.000 1.307 296 F CB -0.002 38.459 39.000 -0.899 0.000 0.986 296 F HN 0.336 nan 8.300 nan 0.000 0.522 297 K N -0.045 120.369 120.400 0.024 0.000 2.209 297 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 297 K C 0.651 177.287 176.600 0.059 0.000 1.048 297 K CA 1.712 58.041 56.287 0.070 0.000 0.940 297 K CB -0.136 32.383 32.500 0.033 0.000 0.729 297 K HN 0.133 nan 8.250 nan 0.000 0.451 298 N N 0.797 119.521 118.700 0.039 0.000 2.236 298 N HA 0.021 4.761 4.740 -0.000 0.000 0.196 298 N C -0.499 175.026 175.510 0.026 0.000 1.114 298 N CA 0.210 53.273 53.050 0.021 0.000 0.859 298 N CB 0.793 39.282 38.487 0.004 0.000 0.982 298 N HN 0.130 nan 8.380 nan 0.000 0.493 299 T N 0.812 115.408 114.554 0.069 0.000 2.870 299 T HA 0.122 4.472 4.350 -0.000 0.000 0.300 299 T C 1.435 176.155 174.700 0.032 0.000 0.989 299 T CA -0.196 61.953 62.100 0.083 0.000 1.139 299 T CB 2.297 71.270 68.868 0.174 0.000 0.920 299 T HN 0.130 nan 8.240 nan 0.000 0.537 300 R N 1.807 122.260 120.500 -0.077 0.000 2.057 300 R HA 0.039 4.379 4.340 -0.000 0.000 0.224 300 R C -0.405 175.685 176.300 -0.350 0.000 1.136 300 R CA 0.976 56.895 56.100 -0.302 0.000 0.968 300 R CB 0.212 30.216 30.300 -0.495 0.000 0.863 300 R HN 0.593 nan 8.270 nan 0.000 0.433 301 Y N -0.950 119.408 120.300 0.098 0.000 2.376 301 Y HA 0.353 4.903 4.550 -0.000 0.000 0.340 301 Y C -1.177 174.813 175.900 0.151 0.000 0.965 301 Y CA -1.325 56.840 58.100 0.108 0.000 1.078 301 Y CB 1.545 40.036 38.460 0.052 0.000 1.193 301 Y HN -0.049 nan 8.280 nan 0.000 0.452 302 F N 4.855 124.905 119.950 0.168 0.000 2.427 302 F HA 0.689 5.216 4.527 -0.000 0.000 0.348 302 F C -1.431 174.398 175.800 0.049 0.000 1.125 302 F CA -0.937 57.085 58.000 0.038 0.000 0.989 302 F CB 0.641 39.652 39.000 0.017 0.000 1.165 302 F HN 0.325 nan 8.300 nan 0.000 0.442 303 L N 5.438 126.516 121.223 -0.241 0.000 2.334 303 L HA 0.601 4.941 4.340 -0.000 0.000 0.276 303 L C -0.768 175.983 176.870 -0.198 0.000 1.014 303 L CA -0.795 53.971 54.840 -0.123 0.000 0.815 303 L CB 1.944 43.961 42.059 -0.071 0.000 1.268 303 L HN 0.561 nan 8.230 nan 0.000 0.428 304 Q N 2.800 122.580 119.800 -0.034 0.000 2.331 304 Q HA 0.636 4.976 4.340 -0.000 0.000 0.272 304 Q C -1.765 174.261 176.000 0.044 0.000 1.062 304 Q CA -0.610 55.219 55.803 0.043 0.000 0.806 304 Q CB 2.846 31.697 28.738 0.189 0.000 1.312 304 Q HN 0.637 nan 8.270 nan 0.000 0.431 305 I N 3.103 123.693 120.570 0.034 0.000 2.410 305 I HA 0.452 4.622 4.170 -0.000 0.000 0.286 305 I C -0.925 175.202 176.117 0.016 0.000 1.009 305 I CA -0.487 60.825 61.300 0.019 0.000 1.111 305 I CB 1.746 39.747 38.000 0.001 0.000 1.262 305 I HN 0.531 nan 8.210 nan 0.000 0.443 306 D N 4.886 125.302 120.400 0.027 0.000 2.661 306 D HA 0.333 4.972 4.640 -0.000 0.000 0.228 306 D C 0.070 176.380 176.300 0.016 0.000 1.210 306 D CA -0.476 53.536 54.000 0.020 0.000 0.826 306 D CB 3.100 43.927 40.800 0.046 0.000 1.542 306 D HN 0.475 nan 8.370 nan 0.000 0.447 307 I N 0.764 121.338 120.570 0.007 0.000 3.226 307 I HA -0.030 4.140 4.170 -0.000 0.000 0.277 307 I C 0.077 176.199 176.117 0.007 0.000 1.243 307 I CA 0.414 61.717 61.300 0.006 0.000 1.459 307 I CB 0.413 38.414 38.000 0.002 0.000 1.093 307 I HN 0.188 nan 8.210 nan 0.000 0.453 308 D N 0.544 120.948 120.400 0.007 0.000 2.373 308 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 308 D C -1.767 174.546 176.300 0.022 0.000 1.091 308 D CA -2.546 51.459 54.000 0.007 0.000 0.840 308 D CB 1.676 42.470 40.800 -0.010 0.000 1.060 308 D HN -0.067 nan 8.370 nan 0.000 0.502 309 P HA -0.127 nan 4.420 nan 0.000 0.217 309 P C 0.937 178.256 177.300 0.030 0.000 1.148 309 P CA 1.115 64.231 63.100 0.026 0.000 0.828 309 P CB 0.187 31.899 31.700 0.020 0.000 0.783 310 A N -0.545 122.290 122.820 0.025 0.000 2.125 310 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 310 A C 1.915 179.526 177.584 0.045 0.000 1.156 310 A CA 1.431 53.485 52.037 0.028 0.000 0.671 310 A CB -0.678 18.332 19.000 0.017 0.000 0.794 310 A HN 0.075 nan 8.150 nan 0.000 0.459 311 K N -0.590 119.845 120.400 0.058 0.000 2.361 311 K HA 0.268 4.588 4.320 -0.000 0.000 0.194 311 K C 0.012 176.685 176.600 0.122 0.000 1.032 311 K CA -0.008 56.336 56.287 0.095 0.000 1.048 311 K CB -0.041 32.517 32.500 0.097 0.000 0.842 311 K HN 0.451 nan 8.250 nan 0.000 0.526 312 L N 1.431 122.709 121.223 0.092 0.000 2.456 312 L HA 0.101 4.441 4.340 -0.000 0.000 0.277 312 L C 1.096 178.021 176.870 0.093 0.000 1.124 312 L CA 0.289 55.189 54.840 0.099 0.000 0.880 312 L CB -0.097 42.003 42.059 0.069 0.000 1.192 312 L HN 0.433 nan 8.230 nan 0.000 0.463 313 G N 2.486 111.360 108.800 0.123 0.000 2.168 313 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 313 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 313 G C 1.118 176.046 174.900 0.047 0.000 0.997 313 G CA 0.779 45.927 45.100 0.080 0.000 0.708 313 G HN 0.779 nan 8.290 nan 0.000 0.520 314 K N -0.344 120.110 120.400 0.091 0.000 2.025 314 K HA -0.007 4.313 4.320 -0.000 0.000 0.207 314 K C 2.502 179.136 176.600 0.057 0.000 1.049 314 K CA 1.132 57.466 56.287 0.078 0.000 0.933 314 K CB -0.143 32.426 32.500 0.115 0.000 0.714 314 K HN 0.280 nan 8.250 nan 0.000 0.438 315 R N -0.625 119.914 120.500 0.065 0.000 2.254 315 R HA 0.133 4.473 4.340 -0.000 0.000 0.195 315 R C 0.303 176.562 176.300 -0.069 0.000 0.957 315 R CA 0.442 56.568 56.100 0.043 0.000 1.024 315 R CB 0.241 30.624 30.300 0.138 0.000 0.952 315 R HN 0.386 nan 8.270 nan 0.000 0.484 316 H N -0.330 118.490 119.070 -0.417 0.000 3.060 316 H HA 0.134 4.690 4.556 -0.000 0.000 0.330 316 H C -1.089 173.977 175.328 -0.436 0.000 1.305 316 H CA -0.680 55.006 56.048 -0.603 0.000 1.209 316 H CB 2.096 31.005 29.762 -1.421 0.000 1.913 316 H HN -0.197 nan 8.280 nan 0.000 0.534 317 K N 2.281 122.237 120.400 -0.740 0.000 2.472 317 K HA 0.067 4.386 4.320 -0.000 0.000 0.280 317 K C -0.835 175.662 176.600 -0.172 0.000 1.028 317 K CA 0.545 56.606 56.287 -0.376 0.000 1.045 317 K CB 0.324 32.621 32.500 -0.339 0.000 0.902 317 K HN 0.416 nan 8.250 nan 0.000 0.478 318 T N 4.316 118.878 114.554 0.014 0.000 2.779 318 T HA 0.135 4.485 4.350 -0.000 0.000 0.280 318 T C 0.371 175.156 174.700 0.141 0.000 0.987 318 T CA -0.822 61.395 62.100 0.196 0.000 0.966 318 T CB 1.362 70.369 68.868 0.232 0.000 0.933 318 T HN 0.567 nan 8.240 nan 0.000 0.442 319 D N 2.116 122.623 120.400 0.179 0.000 2.120 319 D HA 0.059 4.698 4.640 -0.000 0.000 0.202 319 D C 0.458 176.797 176.300 0.065 0.000 0.972 319 D CA 1.158 55.231 54.000 0.121 0.000 0.837 319 D CB 0.527 41.423 40.800 0.160 0.000 0.989 319 D HN 0.446 nan 8.370 nan 0.000 0.469 320 I N 0.408 121.015 120.570 0.062 0.000 2.512 320 I HA 0.378 4.548 4.170 -0.000 0.000 0.287 320 I C -0.963 175.183 176.117 0.048 0.000 1.069 320 I CA -0.768 60.551 61.300 0.032 0.000 1.056 320 I CB 2.376 40.375 38.000 -0.002 0.000 1.229 320 I HN -0.205 nan 8.210 nan 0.000 0.429 321 A N 6.426 129.276 122.820 0.051 0.000 2.310 321 A HA 0.725 5.045 4.320 -0.000 0.000 0.304 321 A C -0.720 176.889 177.584 0.040 0.000 1.231 321 A CA -0.512 51.561 52.037 0.061 0.000 0.799 321 A CB 1.021 20.071 19.000 0.083 0.000 1.162 321 A HN 0.431 nan 8.150 nan 0.000 0.486 322 V N 3.698 123.631 119.914 0.032 0.000 2.385 322 V HA 0.208 4.327 4.120 -0.000 0.000 0.269 322 V C -0.007 176.101 176.094 0.023 0.000 1.043 322 V CA -0.353 61.959 62.300 0.020 0.000 0.906 322 V CB 1.106 32.936 31.823 0.010 0.000 0.995 322 V HN 0.778 nan 8.190 nan 0.000 0.467 323 L N 6.229 127.464 121.223 0.020 0.000 2.342 323 L HA 0.716 5.056 4.340 -0.000 0.000 0.285 323 L C 0.222 177.098 176.870 0.011 0.000 1.095 323 L CA 0.817 55.668 54.840 0.019 0.000 0.843 323 L CB -0.075 41.995 42.059 0.018 0.000 1.201 323 L HN 0.876 nan 8.230 nan 0.000 0.445 324 A N 3.421 126.247 122.820 0.009 0.000 2.544 324 A HA 0.364 4.684 4.320 -0.000 0.000 0.291 324 A C -1.450 176.135 177.584 0.001 0.000 1.055 324 A CA -0.796 51.243 52.037 0.003 0.000 0.651 324 A CB 0.329 19.330 19.000 0.001 0.000 1.296 324 A HN 0.569 nan 8.150 nan 0.000 0.431 325 D N 0.819 121.218 120.400 -0.002 0.000 2.425 325 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 325 D C 1.311 177.606 176.300 -0.008 0.000 1.147 325 D CA 0.871 54.868 54.000 -0.004 0.000 0.879 325 D CB 1.339 42.136 40.800 -0.004 0.000 1.179 325 D HN 0.852 nan 8.370 nan 0.000 0.456 326 A N 3.762 126.576 122.820 -0.010 0.000 1.865 326 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 326 A C 1.986 179.556 177.584 -0.024 0.000 1.191 326 A CA 1.924 53.951 52.037 -0.017 0.000 0.623 326 A CB -0.870 18.119 19.000 -0.018 0.000 0.826 326 A HN 0.831 nan 8.150 nan 0.000 0.444 327 Q N -0.248 119.537 119.800 -0.026 0.000 2.061 327 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 327 Q C 2.040 178.024 176.000 -0.026 0.000 0.984 327 Q CA 2.008 57.792 55.803 -0.032 0.000 0.846 327 Q CB -0.179 28.542 28.738 -0.029 0.000 0.902 327 Q HN 0.683 nan 8.270 nan 0.000 0.421 328 K N -0.528 119.861 120.400 -0.019 0.000 2.063 328 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 328 K C 2.140 178.730 176.600 -0.016 0.000 1.048 328 K CA 1.883 58.160 56.287 -0.016 0.000 0.928 328 K CB -0.147 32.346 32.500 -0.012 0.000 0.713 328 K HN 0.280 nan 8.250 nan 0.000 0.442 329 T N 1.887 116.432 114.554 -0.015 0.000 2.812 329 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 329 T C 1.944 176.634 174.700 -0.017 0.000 1.042 329 T CA 0.904 62.996 62.100 -0.014 0.000 1.140 329 T CB -0.146 68.716 68.868 -0.010 0.000 0.870 329 T HN 0.085 nan 8.240 nan 0.000 0.445 330 L N 0.853 122.063 121.223 -0.022 0.000 2.093 330 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 330 L C 3.068 179.921 176.870 -0.028 0.000 1.085 330 L CA 1.081 55.905 54.840 -0.027 0.000 0.755 330 L CB -0.677 41.358 42.059 -0.040 0.000 0.904 330 L HN 0.238 nan 8.230 nan 0.000 0.435 331 A N 0.121 122.923 122.820 -0.029 0.000 1.933 331 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 331 A C 2.529 180.100 177.584 -0.022 0.000 1.175 331 A CA 1.769 53.790 52.037 -0.027 0.000 0.628 331 A CB -0.670 18.314 19.000 -0.026 0.000 0.814 331 A HN 0.401 nan 8.150 nan 0.000 0.444 332 A N -0.105 122.703 122.820 -0.019 0.000 1.930 332 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 332 A C 2.099 179.673 177.584 -0.016 0.000 1.175 332 A CA 1.431 53.458 52.037 -0.016 0.000 0.627 332 A CB -0.584 18.408 19.000 -0.014 0.000 0.815 332 A HN 0.499 nan 8.150 nan 0.000 0.443 333 I N -0.866 119.694 120.570 -0.016 0.000 2.179 333 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 333 I C 2.402 178.508 176.117 -0.018 0.000 1.088 333 I CA 1.249 62.540 61.300 -0.016 0.000 1.357 333 I CB -0.331 37.661 38.000 -0.012 0.000 1.051 333 I HN 0.362 nan 8.210 nan 0.000 0.409 334 L N 1.261 122.472 121.223 -0.021 0.000 2.079 334 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 334 L C 2.468 179.325 176.870 -0.022 0.000 1.081 334 L CA 2.116 56.942 54.840 -0.024 0.000 0.752 334 L CB -0.763 41.279 42.059 -0.029 0.000 0.896 334 L HN 0.216 nan 8.230 nan 0.000 0.433 335 A N -0.900 121.908 122.820 -0.020 0.000 2.121 335 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 335 A C 1.988 179.562 177.584 -0.017 0.000 1.154 335 A CA 1.332 53.358 52.037 -0.018 0.000 0.679 335 A CB -0.522 18.468 19.000 -0.016 0.000 0.795 335 A HN 0.769 nan 8.150 nan 0.000 0.458 336 Q N -0.350 119.440 119.800 -0.017 0.000 2.219 336 Q HA 0.347 4.687 4.340 -0.000 0.000 0.209 336 Q C 0.107 176.096 176.000 -0.018 0.000 0.854 336 Q CA 0.295 56.088 55.803 -0.017 0.000 0.960 336 Q CB -0.172 28.556 28.738 -0.016 0.000 1.116 336 Q HN 0.488 nan 8.270 nan 0.000 0.500 337 V N -1.603 118.299 119.914 -0.020 0.000 3.103 337 V HA 0.909 5.029 4.120 -0.000 0.000 0.318 337 V C -0.366 175.713 176.094 -0.025 0.000 1.114 337 V CA -0.196 62.090 62.300 -0.023 0.000 1.020 337 V CB 1.789 33.597 31.823 -0.024 0.000 1.085 337 V HN 0.338 nan 8.190 nan 0.000 0.446 338 S N -0.278 115.405 115.700 -0.029 0.000 2.705 338 S HA 0.618 5.088 4.470 -0.000 0.000 0.280 338 S C -0.494 174.081 174.600 -0.042 0.000 1.174 338 S CA -0.606 57.575 58.200 -0.031 0.000 0.823 338 S CB 1.215 64.400 63.200 -0.025 0.000 1.162 338 S HN 1.293 nan 8.310 nan 0.000 0.487 339 E N 0.838 121.011 120.200 -0.045 0.000 2.708 339 E HA 0.011 4.361 4.350 -0.000 0.000 0.260 339 E C -0.519 176.042 176.600 -0.065 0.000 0.937 339 E CA 0.842 57.206 56.400 -0.060 0.000 0.953 339 E CB 0.225 29.896 29.700 -0.047 0.000 0.915 339 E HN 0.482 nan 8.360 nan 0.000 0.487 340 R N 4.063 124.505 120.500 -0.096 0.000 2.637 340 R HA 0.298 4.638 4.340 -0.000 0.000 0.291 340 R C -0.264 175.965 176.300 -0.120 0.000 0.963 340 R CA -0.892 55.153 56.100 -0.093 0.000 0.901 340 R CB 1.426 31.668 30.300 -0.097 0.000 1.160 340 R HN 0.606 nan 8.270 nan 0.000 0.457 341 E N 1.018 121.171 120.200 -0.078 0.000 2.404 341 E HA -0.017 4.333 4.350 -0.000 0.000 0.261 341 E C -0.101 176.437 176.600 -0.103 0.000 1.074 341 E CA 0.025 56.382 56.400 -0.071 0.000 0.917 341 E CB 0.888 30.574 29.700 -0.024 0.000 0.965 341 E HN 0.371 nan 8.360 nan 0.000 0.433 342 S N 1.557 117.198 115.700 -0.098 0.000 2.599 342 S HA -0.046 4.424 4.470 -0.000 0.000 0.303 342 S C -0.096 174.529 174.600 0.042 0.000 1.267 342 S CA 0.124 58.296 58.200 -0.047 0.000 1.055 342 S CB 0.023 63.291 63.200 0.113 0.000 0.790 342 S HN 0.521 nan 8.310 nan 0.000 0.500 343 T N 3.282 117.902 114.554 0.110 0.000 2.950 343 T HA 0.560 4.910 4.350 -0.000 0.000 0.288 343 T C -2.218 172.577 174.700 0.159 0.000 1.035 343 T CA -1.906 60.282 62.100 0.145 0.000 1.028 343 T CB 1.243 70.222 68.868 0.185 0.000 1.109 343 T HN 0.303 nan 8.240 nan 0.000 0.514 344 P HA -0.083 nan 4.420 nan 0.000 0.216 344 P C 1.313 178.714 177.300 0.168 0.000 1.150 344 P CA 0.810 64.004 63.100 0.156 0.000 0.837 344 P CB -0.030 31.818 31.700 0.246 0.000 0.786 345 W N -0.544 120.801 121.300 0.074 0.000 2.335 345 W HA -0.193 4.467 4.660 -0.000 0.000 0.311 345 W C 1.976 178.543 176.519 0.079 0.000 1.213 345 W CA 0.991 58.384 57.345 0.080 0.000 1.274 345 W CB -0.976 28.541 29.460 0.096 0.000 1.148 345 W HN 0.079 nan 8.180 nan 0.000 0.498 346 W N 1.718 122.956 121.300 -0.104 0.000 2.354 346 W HA -0.246 4.413 4.660 -0.000 0.000 0.315 346 W C 2.211 178.511 176.519 -0.366 0.000 1.206 346 W CA 1.631 58.828 57.345 -0.248 0.000 1.290 346 W CB -0.524 28.876 29.460 -0.100 0.000 1.152 346 W HN -0.009 nan 8.180 nan 0.000 0.489 347 Q N 0.542 120.107 119.800 -0.391 0.000 2.084 347 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 347 Q C 2.466 177.974 176.000 -0.820 0.000 0.978 347 Q CA 1.928 57.226 55.803 -0.842 0.000 0.844 347 Q CB -1.185 26.714 28.738 -1.398 0.000 0.898 347 Q HN 0.397 nan 8.270 nan 0.000 0.426 348 A N 1.960 124.474 122.820 -0.510 0.000 1.883 348 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 348 A C 1.944 179.347 177.584 -0.303 0.000 1.186 348 A CA 1.697 53.679 52.037 -0.092 0.000 0.624 348 A CB -0.631 18.436 19.000 0.112 0.000 0.822 348 A HN 0.364 nan 8.150 nan 0.000 0.444 349 N N 0.034 118.421 118.700 -0.523 0.000 2.104 349 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 349 N C 1.783 176.951 175.510 -0.570 0.000 1.024 349 N CA 1.573 54.268 53.050 -0.591 0.000 0.853 349 N CB -0.422 37.607 38.487 -0.763 0.000 1.008 349 N HN 0.506 nan 8.380 nan 0.000 0.424 350 L N 0.950 121.762 121.223 -0.685 0.000 2.042 350 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 350 L C 2.556 179.134 176.870 -0.486 0.000 1.076 350 L CA 1.226 55.680 54.840 -0.643 0.000 0.749 350 L CB -0.511 41.099 42.059 -0.748 0.000 0.893 350 L HN 0.132 nan 8.230 nan 0.000 0.432 351 A N -0.012 122.509 122.820 -0.498 0.000 1.898 351 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 351 A C 2.064 179.142 177.584 -0.843 0.000 1.181 351 A CA 2.006 53.691 52.037 -0.586 0.000 0.620 351 A CB -0.656 18.030 19.000 -0.522 0.000 0.819 351 A HN 0.437 nan 8.150 nan 0.000 0.442 352 N N 0.122 118.366 118.700 -0.760 0.000 2.120 352 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 352 N C 1.533 176.909 175.510 -0.222 0.000 1.024 352 N CA 1.717 54.503 53.050 -0.441 0.000 0.852 352 N CB -0.387 37.989 38.487 -0.185 0.000 1.003 352 N HN 0.160 nan 8.380 nan 0.000 0.424 353 V N 1.116 120.879 119.914 -0.252 0.000 2.287 353 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 353 V C 2.340 178.404 176.094 -0.050 0.000 1.053 353 V CA 1.583 63.808 62.300 -0.125 0.000 1.027 353 V CB -0.455 31.244 31.823 -0.207 0.000 0.646 353 V HN 0.365 nan 8.190 nan 0.000 0.447 354 K N 0.037 120.344 120.400 -0.154 0.000 2.044 354 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 354 K C 2.170 178.745 176.600 -0.043 0.000 1.049 354 K CA 1.950 58.169 56.287 -0.113 0.000 0.927 354 K CB -0.499 31.904 32.500 -0.161 0.000 0.713 354 K HN 0.553 nan 8.250 nan 0.000 0.443 355 N N 0.286 118.961 118.700 -0.041 0.000 2.166 355 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 355 N C 1.743 177.353 175.510 0.167 0.000 1.019 355 N CA 1.033 54.128 53.050 0.075 0.000 0.856 355 N CB -0.118 38.458 38.487 0.150 0.000 0.993 355 N HN 0.427 nan 8.380 nan 0.000 0.426 356 W N 1.944 123.230 121.300 -0.022 0.000 2.381 356 W HA -0.073 4.587 4.660 -0.000 0.000 0.301 356 W C 1.847 178.393 176.519 0.044 0.000 1.205 356 W CA 0.669 58.023 57.345 0.016 0.000 1.285 356 W CB -0.134 29.297 29.460 -0.048 0.000 1.133 356 W HN 0.085 nan 8.180 nan 0.000 0.521 357 R N 0.319 120.791 120.500 -0.046 0.000 2.115 357 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 357 R C 2.477 178.674 176.300 -0.172 0.000 1.111 357 R CA 1.407 57.397 56.100 -0.182 0.000 0.976 357 R CB -0.738 29.519 30.300 -0.072 0.000 0.870 357 R HN 0.142 nan 8.270 nan 0.000 0.445 358 A N 0.636 123.407 122.820 -0.083 0.000 1.898 358 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 358 A C 1.968 179.499 177.584 -0.089 0.000 1.181 358 A CA 1.116 53.114 52.037 -0.065 0.000 0.620 358 A CB -0.680 18.313 19.000 -0.013 0.000 0.819 358 A HN 0.450 nan 8.150 nan 0.000 0.442 359 Y N 0.690 120.867 120.300 -0.206 0.000 2.128 359 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 359 Y C 1.913 177.588 175.900 -0.376 0.000 1.154 359 Y CA 1.951 59.896 58.100 -0.260 0.000 1.149 359 Y CB -0.382 37.929 38.460 -0.248 0.000 0.976 359 Y HN 0.211 nan 8.280 nan 0.000 0.505 360 L N -0.216 120.611 121.223 -0.660 0.000 2.046 360 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 360 L C 2.819 179.456 176.870 -0.388 0.000 1.077 360 L CA 1.140 55.575 54.840 -0.675 0.000 0.747 360 L CB -1.061 40.593 42.059 -0.674 0.000 0.896 360 L HN 0.367 nan 8.230 nan 0.000 0.432 361 A N 0.277 122.927 122.820 -0.284 0.000 1.902 361 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 361 A C 2.550 180.017 177.584 -0.195 0.000 1.181 361 A CA 2.055 53.981 52.037 -0.185 0.000 0.623 361 A CB -0.741 18.180 19.000 -0.131 0.000 0.818 361 A HN 0.530 nan 8.150 nan 0.000 0.443 362 S N 0.137 115.699 115.700 -0.231 0.000 2.382 362 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 362 S C 1.899 176.349 174.600 -0.249 0.000 1.027 362 S CA 1.510 59.588 58.200 -0.203 0.000 0.991 362 S CB -0.774 62.323 63.200 -0.170 0.000 0.823 362 S HN 0.473 nan 8.310 nan 0.000 0.469 363 L N 1.102 122.084 121.223 -0.402 0.000 2.027 363 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 363 L C 2.962 179.715 176.870 -0.194 0.000 1.074 363 L CA 1.812 56.415 54.840 -0.395 0.000 0.745 363 L CB -0.768 40.791 42.059 -0.834 0.000 0.898 363 L HN 0.371 nan 8.230 nan 0.000 0.433 364 E N 0.133 120.216 120.200 -0.195 0.000 2.110 364 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 364 E C 1.168 177.697 176.600 -0.117 0.000 0.988 364 E CA 1.231 57.541 56.400 -0.149 0.000 0.804 364 E CB -0.050 29.570 29.700 -0.134 0.000 0.745 364 E HN 0.456 nan 8.360 nan 0.000 0.458 365 D N 0.553 120.886 120.400 -0.112 0.000 2.339 365 D HA 0.026 4.666 4.640 -0.000 0.000 0.217 365 D C -0.136 176.121 176.300 -0.072 0.000 1.050 365 D CA 0.260 54.207 54.000 -0.088 0.000 0.856 365 D CB 0.135 40.886 40.800 -0.082 0.000 0.922 365 D HN 0.049 nan 8.370 nan 0.000 0.518 366 K N 0.916 121.274 120.400 -0.070 0.000 2.489 366 K HA 0.014 4.334 4.320 -0.000 0.000 0.278 366 K C 1.086 177.657 176.600 -0.048 0.000 1.000 366 K CA 0.340 56.597 56.287 -0.051 0.000 1.012 366 K CB 0.917 33.394 32.500 -0.038 0.000 0.903 366 K HN -0.035 nan 8.250 nan 0.000 0.485 367 Q N 1.305 121.081 119.800 -0.039 0.000 2.316 367 Q HA 0.084 4.424 4.340 -0.000 0.000 0.235 367 Q C -0.250 175.731 176.000 -0.030 0.000 0.863 367 Q CA 0.509 56.290 55.803 -0.037 0.000 0.939 367 Q CB 1.081 29.800 28.738 -0.032 0.000 1.108 367 Q HN 0.664 nan 8.270 nan 0.000 0.522 368 E N -1.289 118.896 120.200 -0.026 0.000 2.372 368 E HA 0.504 4.854 4.350 -0.000 0.000 0.279 368 E C -0.755 175.834 176.600 -0.018 0.000 0.946 368 E CA -0.059 56.330 56.400 -0.020 0.000 0.769 368 E CB 1.658 31.348 29.700 -0.016 0.000 1.230 368 E HN 0.140 nan 8.360 nan 0.000 0.442 369 G N 2.367 111.158 108.800 -0.015 0.000 2.362 369 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.517 369 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.517 369 G C -2.858 172.033 174.900 -0.014 0.000 1.256 369 G CA -0.855 44.238 45.100 -0.013 0.000 1.027 369 G HN 0.443 nan 8.290 nan 0.000 0.491 370 P HA 0.380 nan 4.420 nan 0.000 0.262 370 P C 0.153 177.439 177.300 -0.024 0.000 1.199 370 P CA -0.310 62.780 63.100 -0.017 0.000 0.763 370 P CB 0.650 32.341 31.700 -0.015 0.000 0.790 371 L N 4.679 125.884 121.223 -0.030 0.000 2.513 371 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 371 L C 0.250 177.079 176.870 -0.067 0.000 1.187 371 L CA 0.963 55.777 54.840 -0.044 0.000 0.895 371 L CB -0.312 41.722 42.059 -0.041 0.000 1.147 371 L HN 0.394 nan 8.230 nan 0.000 0.483 372 Q N 3.023 122.766 119.800 -0.095 0.000 2.297 372 Q HA 0.557 4.897 4.340 -0.000 0.000 0.269 372 Q C 0.909 176.764 176.000 -0.241 0.000 1.051 372 Q CA -0.249 55.432 55.803 -0.203 0.000 0.869 372 Q CB 1.597 30.188 28.738 -0.246 0.000 1.346 372 Q HN 0.797 nan 8.270 nan 0.000 0.457 373 A N 0.447 123.058 122.820 -0.348 0.000 1.978 373 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 373 A C 1.389 178.855 177.584 -0.197 0.000 1.170 373 A CA 1.652 53.614 52.037 -0.124 0.000 0.636 373 A CB -0.699 18.218 19.000 -0.140 0.000 0.810 373 A HN 0.766 nan 8.150 nan 0.000 0.448 374 Y N 0.029 120.231 120.300 -0.163 0.000 2.165 374 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 374 Y C 2.570 178.218 175.900 -0.420 0.000 1.155 374 Y CA 1.604 59.414 58.100 -0.483 0.000 1.164 374 Y CB -1.003 37.221 38.460 -0.393 0.000 0.978 374 Y HN 0.375 nan 8.280 nan 0.000 0.513 375 Q N -0.339 119.394 119.800 -0.112 0.000 2.187 375 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 375 Q C 2.379 178.255 176.000 -0.207 0.000 0.957 375 Q CA 1.072 56.786 55.803 -0.147 0.000 0.857 375 Q CB -0.543 28.132 28.738 -0.105 0.000 0.929 375 Q HN 0.324 nan 8.270 nan 0.000 0.453 376 V N 0.630 120.445 119.914 -0.166 0.000 2.287 376 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 376 V C 2.023 178.000 176.094 -0.195 0.000 1.053 376 V CA 1.668 63.852 62.300 -0.193 0.000 1.027 376 V CB -0.520 31.213 31.823 -0.150 0.000 0.646 376 V HN 0.326 nan 8.190 nan 0.000 0.447 377 L N -0.365 120.811 121.223 -0.078 0.000 2.093 377 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 377 L C 2.778 179.546 176.870 -0.170 0.000 1.085 377 L CA 1.343 56.138 54.840 -0.074 0.000 0.755 377 L CB -0.643 41.397 42.059 -0.032 0.000 0.904 377 L HN 0.253 nan 8.230 nan 0.000 0.435 378 R N 0.959 121.329 120.500 -0.217 0.000 2.091 378 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 378 R C 2.126 178.268 176.300 -0.264 0.000 1.136 378 R CA 1.880 57.862 56.100 -0.197 0.000 0.959 378 R CB -0.409 29.784 30.300 -0.179 0.000 0.856 378 R HN 0.343 nan 8.270 nan 0.000 0.437 379 A N 0.462 123.022 122.820 -0.435 0.000 1.933 379 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 379 A C 2.477 179.670 177.584 -0.652 0.000 1.175 379 A CA 1.529 53.138 52.037 -0.713 0.000 0.628 379 A CB -0.502 17.696 19.000 -1.336 0.000 0.814 379 A HN 0.209 nan 8.150 nan 0.000 0.444 380 V N 1.013 120.637 119.914 -0.483 0.000 2.261 380 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 380 V C 2.335 178.355 176.094 -0.124 0.000 1.047 380 V CA 2.177 64.371 62.300 -0.178 0.000 1.015 380 V CB -0.971 30.743 31.823 -0.181 0.000 0.642 380 V HN 0.558 nan 8.190 nan 0.000 0.446 381 N N 0.273 118.895 118.700 -0.129 0.000 2.094 381 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 381 N C 1.775 177.274 175.510 -0.018 0.000 1.023 381 N CA 1.231 54.246 53.050 -0.059 0.000 0.857 381 N CB -0.328 38.119 38.487 -0.067 0.000 1.013 381 N HN 0.412 nan 8.380 nan 0.000 0.426 382 K N 0.917 121.286 120.400 -0.052 0.000 2.211 382 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 382 K C 1.848 178.477 176.600 0.047 0.000 1.050 382 K CA 0.594 56.870 56.287 -0.018 0.000 0.945 382 K CB -0.095 32.370 32.500 -0.058 0.000 0.732 382 K HN 0.485 nan 8.250 nan 0.000 0.451 383 I N -2.702 117.934 120.570 0.109 0.000 3.956 383 I HA 0.269 4.439 4.170 -0.000 0.000 0.333 383 I C 0.501 176.775 176.117 0.262 0.000 1.302 383 I CA -0.469 60.947 61.300 0.193 0.000 1.122 383 I CB 0.379 38.546 38.000 0.278 0.000 1.013 383 I HN -0.263 nan 8.210 nan 0.000 0.405 384 A N 1.587 124.553 122.820 0.244 0.000 2.363 384 A HA 0.404 4.724 4.320 -0.000 0.000 0.270 384 A C 0.075 177.781 177.584 0.202 0.000 1.121 384 A CA -0.250 51.978 52.037 0.320 0.000 0.800 384 A CB 0.146 19.297 19.000 0.252 0.000 1.052 384 A HN 0.486 nan 8.150 nan 0.000 0.493 385 E N 2.788 123.096 120.200 0.179 0.000 2.373 385 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 385 E C -1.393 175.268 176.600 0.101 0.000 1.073 385 E CA -1.670 54.790 56.400 0.100 0.000 0.894 385 E CB 0.658 30.389 29.700 0.052 0.000 1.008 385 E HN 0.477 nan 8.360 nan 0.000 0.420 386 P HA -0.164 nan 4.420 nan 0.000 0.221 386 P C 0.199 177.539 177.300 0.067 0.000 1.145 386 P CA 1.274 64.415 63.100 0.070 0.000 0.795 386 P CB 0.130 31.858 31.700 0.046 0.000 0.775 387 D N -1.404 119.023 120.400 0.045 0.000 2.501 387 D HA 0.225 4.865 4.640 -0.000 0.000 0.226 387 D C 0.366 176.667 176.300 0.001 0.000 1.198 387 D CA -0.741 53.270 54.000 0.019 0.000 0.830 387 D CB -0.555 40.237 40.800 -0.013 0.000 1.014 387 D HN -0.026 nan 8.370 nan 0.000 0.496 388 A N 0.622 123.462 122.820 0.033 0.000 2.520 388 A HA 0.372 4.692 4.320 -0.000 0.000 0.235 388 A C 0.282 177.813 177.584 -0.090 0.000 1.065 388 A CA 0.020 52.027 52.037 -0.049 0.000 0.764 388 A CB 0.106 19.086 19.000 -0.033 0.000 1.002 388 A HN 0.390 nan 8.150 nan 0.000 0.502 389 I N 0.902 121.376 120.570 -0.159 0.000 2.441 389 I HA 0.361 4.531 4.170 -0.000 0.000 0.295 389 I C -1.278 174.781 176.117 -0.098 0.000 0.994 389 I CA -0.350 60.922 61.300 -0.047 0.000 1.144 389 I CB 1.493 39.478 38.000 -0.024 0.000 1.314 389 I HN 0.585 nan 8.210 nan 0.000 0.445 390 Y N 3.651 124.078 120.300 0.211 0.000 2.328 390 Y HA 0.348 4.898 4.550 0.000 0.000 0.336 390 Y C 0.391 176.406 175.900 0.192 0.000 0.960 390 Y CA -0.691 57.551 58.100 0.237 0.000 1.134 390 Y CB 1.952 40.526 38.460 0.189 0.000 1.166 390 Y HN 0.432 nan 8.280 nan 0.000 0.464 391 S N 5.078 120.950 115.700 0.287 0.000 2.438 391 S HA 0.667 5.136 4.470 -0.000 0.000 0.293 391 S C -0.705 174.020 174.600 0.208 0.000 1.141 391 S CA -0.403 57.919 58.200 0.203 0.000 1.080 391 S CB -0.217 63.065 63.200 0.136 0.000 0.978 391 S HN 0.573 nan 8.310 nan 0.000 0.479 392 I N 4.235 124.913 120.570 0.181 0.000 2.433 392 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 392 I C 0.597 176.769 176.117 0.091 0.000 1.001 392 I CA -0.846 60.545 61.300 0.152 0.000 1.119 392 I CB 1.719 39.836 38.000 0.194 0.000 1.289 392 I HN 0.609 nan 8.210 nan 0.000 0.438 393 D N 3.920 124.347 120.400 0.046 0.000 2.348 393 D HA 0.326 4.966 4.640 -0.000 0.000 0.272 393 D C -0.846 175.429 176.300 -0.041 0.000 1.237 393 D CA 0.044 54.049 54.000 0.007 0.000 1.042 393 D CB 1.546 42.347 40.800 0.001 0.000 1.117 393 D HN 0.091 nan 8.370 nan 0.000 0.548 394 V N -0.145 119.718 119.914 -0.085 0.000 2.444 394 V HA 0.667 4.787 4.120 -0.000 0.000 0.294 394 V C 0.725 176.663 176.094 -0.260 0.000 1.022 394 V CA 0.266 62.460 62.300 -0.177 0.000 0.850 394 V CB 0.824 32.568 31.823 -0.132 0.000 0.992 394 V HN 0.885 nan 8.190 nan 0.000 0.426 395 G N 3.773 112.268 108.800 -0.508 0.000 2.347 395 G HA2 0.001 3.960 3.960 -0.000 0.000 0.224 395 G HA3 0.001 3.960 3.960 -0.000 0.000 0.224 395 G C -0.069 174.469 174.900 -0.603 0.000 1.318 395 G CA 0.029 44.800 45.100 -0.549 0.000 1.016 395 G HN 0.411 nan 8.290 nan 0.000 0.469 396 D N -0.350 119.992 120.400 -0.096 0.000 2.190 396 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 396 D C 2.397 178.586 176.300 -0.185 0.000 0.992 396 D CA 1.267 55.292 54.000 0.041 0.000 0.854 396 D CB -0.018 40.848 40.800 0.111 0.000 0.936 396 D HN 0.288 nan 8.370 nan 0.000 0.462 397 I N 1.611 122.002 120.570 -0.299 0.000 2.248 397 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 397 I C 1.353 177.289 176.117 -0.301 0.000 1.107 397 I CA 1.451 62.515 61.300 -0.392 0.000 1.373 397 I CB -0.442 37.313 38.000 -0.409 0.000 1.055 397 I HN -0.024 nan 8.210 nan 0.000 0.418 398 N N 0.155 118.645 118.700 -0.350 0.000 2.104 398 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 398 N C 1.946 177.178 175.510 -0.464 0.000 1.024 398 N CA 1.712 54.506 53.050 -0.426 0.000 0.853 398 N CB -0.405 37.745 38.487 -0.562 0.000 1.008 398 N HN 0.478 nan 8.380 nan 0.000 0.424 399 L N 0.768 121.807 121.223 -0.307 0.000 2.027 399 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 399 L C 1.622 178.465 176.870 -0.044 0.000 1.074 399 L CA 1.373 56.154 54.840 -0.098 0.000 0.745 399 L CB -0.218 41.942 42.059 0.169 0.000 0.898 399 L HN 0.186 nan 8.230 nan 0.000 0.433 400 N N 0.577 119.261 118.700 -0.027 0.000 2.106 400 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 400 N C 1.857 177.400 175.510 0.055 0.000 1.029 400 N CA 1.611 54.711 53.050 0.083 0.000 0.848 400 N CB -0.479 38.018 38.487 0.017 0.000 1.007 400 N HN 0.507 nan 8.380 nan 0.000 0.423 401 A N 1.241 124.014 122.820 -0.078 0.000 1.933 401 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 401 A C 2.150 179.688 177.584 -0.077 0.000 1.175 401 A CA 1.790 53.775 52.037 -0.087 0.000 0.628 401 A CB -0.817 18.119 19.000 -0.107 0.000 0.814 401 A HN 0.354 nan 8.150 nan 0.000 0.444 402 N N -0.340 118.316 118.700 -0.073 0.000 2.120 402 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 402 N C 1.839 177.352 175.510 0.005 0.000 1.024 402 N CA 1.839 54.887 53.050 -0.004 0.000 0.852 402 N CB -0.238 38.201 38.487 -0.080 0.000 1.003 402 N HN 0.539 nan 8.380 nan 0.000 0.424 403 R N -1.535 118.931 120.500 -0.057 0.000 2.093 403 R HA 0.049 4.389 4.340 -0.000 0.000 0.224 403 R C 1.601 177.716 176.300 -0.309 0.000 1.101 403 R CA 1.027 57.032 56.100 -0.158 0.000 0.979 403 R CB -0.160 29.969 30.300 -0.284 0.000 0.877 403 R HN 0.458 nan 8.270 nan 0.000 0.441 404 H N -0.026 119.020 119.070 -0.040 0.000 2.476 404 H HA 0.185 4.741 4.556 -0.000 0.000 0.292 404 H C 0.692 175.954 175.328 -0.110 0.000 1.019 404 H CA 0.073 56.075 56.048 -0.078 0.000 1.330 404 H CB 0.220 29.946 29.762 -0.061 0.000 1.451 404 H HN -0.000 nan 8.280 nan 0.000 0.535 405 L N 2.162 123.349 121.223 -0.060 0.000 2.490 405 L HA 0.010 4.350 4.340 -0.000 0.000 0.274 405 L C 0.377 177.166 176.870 -0.134 0.000 1.201 405 L CA 0.523 55.249 54.840 -0.190 0.000 0.869 405 L CB 0.479 42.282 42.059 -0.427 0.000 1.123 405 L HN -0.092 nan 8.230 nan 0.000 0.484 406 K N 5.043 125.377 120.400 -0.109 0.000 2.356 406 K HA 0.465 4.785 4.320 -0.000 0.000 0.243 406 K C -0.874 175.701 176.600 -0.041 0.000 1.072 406 K CA -0.174 56.082 56.287 -0.052 0.000 1.014 406 K CB 0.621 33.108 32.500 -0.022 0.000 1.523 406 K HN 0.429 nan 8.250 nan 0.000 0.455 407 L N 1.463 122.650 121.223 -0.061 0.000 2.344 407 L HA 0.516 4.856 4.340 -0.000 0.000 0.272 407 L C 0.685 177.548 176.870 -0.012 0.000 1.035 407 L CA -0.625 54.195 54.840 -0.034 0.000 0.807 407 L CB 1.709 43.717 42.059 -0.085 0.000 1.237 407 L HN 0.548 nan 8.230 nan 0.000 0.442 408 T N -2.525 112.041 114.554 0.020 0.000 2.831 408 T HA 0.418 4.768 4.350 -0.000 0.000 0.287 408 T C -2.371 172.341 174.700 0.019 0.000 1.070 408 T CA -1.787 60.318 62.100 0.010 0.000 1.010 408 T CB 1.771 70.650 68.868 0.018 0.000 1.264 408 T HN 0.212 nan 8.240 nan 0.000 0.532 409 P HA -0.049 nan 4.420 nan 0.000 0.219 409 P C 1.413 178.723 177.300 0.016 0.000 1.144 409 P CA 1.010 64.113 63.100 0.005 0.000 0.806 409 P CB -0.113 31.579 31.700 -0.014 0.000 0.771 410 S N -1.676 114.037 115.700 0.022 0.000 2.489 410 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 410 S C 0.830 175.446 174.600 0.027 0.000 0.995 410 S CA 0.454 58.665 58.200 0.018 0.000 0.934 410 S CB -0.812 62.401 63.200 0.021 0.000 0.771 410 S HN 0.349 nan 8.310 nan 0.000 0.522 411 N N 1.161 119.903 118.700 0.069 0.000 2.483 411 N HA 0.316 5.056 4.740 -0.000 0.000 0.269 411 N C -0.162 175.417 175.510 0.114 0.000 1.209 411 N CA -0.255 52.870 53.050 0.125 0.000 0.969 411 N CB 0.540 39.160 38.487 0.221 0.000 1.173 411 N HN -0.026 nan 8.380 nan 0.000 0.475 412 R N 0.809 121.391 120.500 0.136 0.000 2.670 412 R HA 0.374 4.714 4.340 -0.000 0.000 0.289 412 R C -1.075 175.408 176.300 0.304 0.000 0.965 412 R CA -0.807 55.378 56.100 0.142 0.000 0.899 412 R CB 1.186 31.502 30.300 0.026 0.000 1.173 412 R HN 0.884 nan 8.270 nan 0.000 0.456 413 H N -0.323 118.823 119.070 0.127 0.000 2.771 413 H HA 0.733 5.289 4.556 -0.000 0.000 0.361 413 H C -0.442 174.923 175.328 0.062 0.000 1.108 413 H CA -1.013 55.122 56.048 0.144 0.000 1.201 413 H CB 1.567 31.400 29.762 0.118 0.000 1.681 413 H HN 0.581 nan 8.280 nan 0.000 0.534 414 I N 0.188 120.791 120.570 0.056 0.000 2.730 414 I HA 0.814 4.984 4.170 -0.000 0.000 0.298 414 I C -0.961 175.187 176.117 0.052 0.000 1.089 414 I CA -0.768 60.516 61.300 -0.027 0.000 1.041 414 I CB 2.557 40.561 38.000 0.008 0.000 1.235 414 I HN 0.762 nan 8.210 nan 0.000 0.423 415 T N 1.429 115.993 114.554 0.016 0.000 2.647 415 T HA 0.333 4.683 4.350 -0.000 0.000 0.295 415 T C -0.920 173.805 174.700 0.041 0.000 1.126 415 T CA -0.440 61.699 62.100 0.065 0.000 1.040 415 T CB 1.915 70.868 68.868 0.141 0.000 1.472 415 T HN 0.739 nan 8.240 nan 0.000 0.500 416 S N 1.767 117.506 115.700 0.064 0.000 2.701 416 S HA 0.209 4.679 4.470 -0.000 0.000 0.317 416 S C 1.049 175.706 174.600 0.095 0.000 1.149 416 S CA -0.588 57.661 58.200 0.082 0.000 1.052 416 S CB -0.738 62.526 63.200 0.107 0.000 1.257 416 S HN 0.535 nan 8.310 nan 0.000 0.532 417 N N 3.680 122.423 118.700 0.073 0.000 2.142 417 N HA -0.055 4.685 4.740 -0.000 0.000 0.186 417 N C 1.188 176.775 175.510 0.129 0.000 1.023 417 N CA 1.046 54.152 53.050 0.093 0.000 0.852 417 N CB -0.199 38.309 38.487 0.034 0.000 0.998 417 N HN 0.569 nan 8.380 nan 0.000 0.424 418 L N -1.718 119.580 121.223 0.125 0.000 2.641 418 L HA 0.309 4.649 4.340 -0.000 0.000 0.207 418 L C 1.540 178.511 176.870 0.168 0.000 1.049 418 L CA 0.357 55.272 54.840 0.125 0.000 0.866 418 L CB -0.640 41.488 42.059 0.115 0.000 1.264 418 L HN -0.111 nan 8.230 nan 0.000 0.483 419 F N 2.178 122.154 119.950 0.044 0.000 2.234 419 F HA 0.207 4.734 4.527 -0.000 0.000 0.299 419 F C 1.598 177.420 175.800 0.036 0.000 1.087 419 F CA 0.778 58.807 58.000 0.049 0.000 1.340 419 F CB -0.345 38.699 39.000 0.074 0.000 1.031 419 F HN 0.228 nan 8.300 nan 0.000 0.500 420 A N 0.997 123.863 122.820 0.077 0.000 2.610 420 A HA -0.252 4.068 4.320 -0.000 0.000 0.299 420 A C 0.739 178.253 177.584 -0.117 0.000 1.487 420 A CA 0.967 52.994 52.037 -0.017 0.000 0.743 420 A CB -2.602 16.385 19.000 -0.023 0.000 1.070 420 A HN 0.463 nan 8.150 nan 0.000 0.439 421 T N 0.748 115.274 114.554 -0.045 0.000 2.794 421 T HA 0.527 4.876 4.350 -0.000 0.000 0.296 421 T C 0.663 175.345 174.700 -0.031 0.000 0.949 421 T CA -0.135 61.926 62.100 -0.065 0.000 1.101 421 T CB -0.093 68.853 68.868 0.129 0.000 0.905 421 T HN 0.460 nan 8.240 nan 0.000 0.516 422 M N 3.929 123.490 119.600 -0.066 0.000 2.250 422 M HA 0.338 4.818 4.480 -0.000 0.000 0.325 422 M C 1.631 177.915 176.300 -0.026 0.000 1.084 422 M CA 1.387 56.660 55.300 -0.045 0.000 1.161 422 M CB 0.473 33.043 32.600 -0.051 0.000 1.481 422 M HN 1.016 nan 8.290 nan 0.000 0.449 423 G N 0.125 108.916 108.800 -0.016 0.000 2.195 423 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.224 423 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.224 423 G C 0.442 175.331 174.900 -0.018 0.000 0.990 423 G CA 0.255 45.341 45.100 -0.022 0.000 0.639 423 G HN 0.807 nan 8.290 nan 0.000 0.514 424 V N -0.340 119.573 119.914 -0.002 0.000 2.970 424 V HA 0.348 4.468 4.120 -0.000 0.000 0.260 424 V C 2.578 178.681 176.094 0.015 0.000 1.100 424 V CA 2.027 64.330 62.300 0.005 0.000 1.122 424 V CB -0.974 30.864 31.823 0.025 0.000 0.721 424 V HN 0.890 nan 8.190 nan 0.000 0.483 425 G N 1.163 109.978 108.800 0.024 0.000 2.480 425 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 425 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 425 G C 1.490 176.414 174.900 0.040 0.000 1.200 425 G CA 1.465 46.593 45.100 0.047 0.000 0.782 425 G HN 0.521 nan 8.290 nan 0.000 0.554 426 I N 1.947 122.529 120.570 0.019 0.000 2.091 426 I HA -0.148 4.022 4.170 -0.000 0.000 0.239 426 I C 0.133 176.247 176.117 -0.006 0.000 1.061 426 I CA 1.530 62.837 61.300 0.012 0.000 1.317 426 I CB -0.945 37.059 38.000 0.008 0.000 1.031 426 I HN 0.209 nan 8.210 nan 0.000 0.401 427 P HA -0.126 nan 4.420 nan 0.000 0.217 427 P C 1.631 178.897 177.300 -0.057 0.000 1.150 427 P CA 1.980 65.031 63.100 -0.082 0.000 0.832 427 P CB -0.315 31.309 31.700 -0.127 0.000 0.787 428 G N 0.590 109.381 108.800 -0.014 0.000 2.442 428 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.219 428 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.219 428 G C 1.781 176.710 174.900 0.049 0.000 1.141 428 G CA 1.106 46.220 45.100 0.023 0.000 0.763 428 G HN 0.379 nan 8.290 nan 0.000 0.554 429 A N 0.377 123.225 122.820 0.047 0.000 1.929 429 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 429 A C 2.369 179.975 177.584 0.036 0.000 1.176 429 A CA 0.913 52.981 52.037 0.052 0.000 0.628 429 A CB -0.250 18.780 19.000 0.050 0.000 0.816 429 A HN 0.356 nan 8.150 nan 0.000 0.444 430 I N -0.083 120.500 120.570 0.022 0.000 2.127 430 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 430 I C 2.997 179.137 176.117 0.037 0.000 1.075 430 I CA 1.243 62.555 61.300 0.021 0.000 1.334 430 I CB -0.287 37.719 38.000 0.010 0.000 1.040 430 I HN 0.354 nan 8.210 nan 0.000 0.405 431 A N 0.529 123.386 122.820 0.061 0.000 1.902 431 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 431 A C 2.520 180.170 177.584 0.111 0.000 1.181 431 A CA 1.927 54.045 52.037 0.136 0.000 0.623 431 A CB -0.947 18.139 19.000 0.142 0.000 0.818 431 A HN 0.454 nan 8.150 nan 0.000 0.443 432 A N -0.385 122.507 122.820 0.120 0.000 1.902 432 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 432 A C 2.088 179.772 177.584 0.166 0.000 1.181 432 A CA 2.397 54.548 52.037 0.191 0.000 0.623 432 A CB -0.372 18.722 19.000 0.157 0.000 0.818 432 A HN 0.425 nan 8.150 nan 0.000 0.443 433 K N -0.135 120.306 120.400 0.069 0.000 2.155 433 K HA 0.126 4.446 4.320 -0.000 0.000 0.203 433 K C 1.692 178.275 176.600 -0.028 0.000 1.052 433 K CA 0.985 57.291 56.287 0.031 0.000 0.948 433 K CB -0.502 32.001 32.500 0.004 0.000 0.728 433 K HN 0.466 nan 8.250 nan 0.000 0.448 434 L N 0.628 121.791 121.223 -0.100 0.000 2.093 434 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 434 L C 1.824 178.544 176.870 -0.250 0.000 1.085 434 L CA 1.089 55.766 54.840 -0.272 0.000 0.755 434 L CB -0.405 41.304 42.059 -0.582 0.000 0.904 434 L HN 0.246 nan 8.230 nan 0.000 0.435 435 N N -0.772 117.818 118.700 -0.183 0.000 2.300 435 N HA -0.096 4.643 4.740 -0.000 0.000 0.179 435 N C -0.122 175.058 175.510 -0.550 0.000 1.016 435 N CA 1.050 53.879 53.050 -0.369 0.000 0.876 435 N CB 0.202 38.368 38.487 -0.535 0.000 0.979 435 N HN 0.303 nan 8.380 nan 0.000 0.432 436 Y N 0.175 120.479 120.300 0.007 0.000 2.511 436 Y HA 0.327 4.877 4.550 -0.000 0.000 0.356 436 Y C -1.729 174.160 175.900 -0.019 0.000 1.002 436 Y CA -1.946 56.155 58.100 0.002 0.000 1.127 436 Y CB 1.244 39.710 38.460 0.010 0.000 1.137 436 Y HN -0.028 nan 8.280 nan 0.000 0.652 437 P HA -0.190 nan 4.420 nan 0.000 0.218 437 P C 0.673 177.990 177.300 0.028 0.000 1.146 437 P CA 1.611 64.725 63.100 0.024 0.000 0.813 437 P CB 0.603 32.299 31.700 -0.006 0.000 0.778 438 E N -1.007 119.224 120.200 0.052 0.000 2.479 438 E HA 0.096 4.446 4.350 -0.000 0.000 0.193 438 E C 0.862 177.473 176.600 0.018 0.000 1.049 438 E CA 0.133 56.551 56.400 0.029 0.000 0.870 438 E CB 0.127 29.850 29.700 0.037 0.000 0.944 438 E HN 0.360 nan 8.360 nan 0.000 0.492 439 R N 1.201 121.722 120.500 0.035 0.000 2.474 439 R HA 0.238 4.578 4.340 -0.000 0.000 0.295 439 R C 0.294 176.563 176.300 -0.052 0.000 0.980 439 R CA -0.434 55.660 56.100 -0.010 0.000 0.934 439 R CB 1.445 31.727 30.300 -0.030 0.000 1.101 439 R HN 0.078 nan 8.270 nan 0.000 0.469 440 Q N 1.983 121.729 119.800 -0.091 0.000 2.300 440 Q HA 0.121 4.461 4.340 -0.000 0.000 0.280 440 Q C -1.055 174.810 176.000 -0.225 0.000 1.033 440 Q CA 0.247 55.941 55.803 -0.181 0.000 0.903 440 Q CB 0.824 29.457 28.738 -0.175 0.000 1.195 440 Q HN 0.281 nan 8.270 nan 0.000 0.386 441 V N 5.599 125.328 119.914 -0.308 0.000 2.531 441 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 441 V C -0.882 174.989 176.094 -0.372 0.000 1.034 441 V CA -0.610 61.552 62.300 -0.231 0.000 0.865 441 V CB 1.183 32.952 31.823 -0.090 0.000 0.995 441 V HN 0.623 nan 8.190 nan 0.000 0.424 442 F N 2.817 122.684 119.950 -0.138 0.000 2.458 442 F HA 0.554 5.081 4.527 0.000 0.000 0.330 442 F C 0.376 176.212 175.800 0.059 0.000 1.082 442 F CA -0.577 57.411 58.000 -0.021 0.000 0.995 442 F CB 1.630 40.648 39.000 0.030 0.000 1.170 442 F HN 0.528 nan 8.300 nan 0.000 0.478 443 N N 3.047 121.909 118.700 0.270 0.000 2.443 443 N HA 0.416 5.156 4.740 -0.000 0.000 0.269 443 N C -1.903 173.767 175.510 0.267 0.000 0.985 443 N CA -0.361 52.817 53.050 0.215 0.000 0.921 443 N CB 0.675 39.232 38.487 0.117 0.000 1.195 443 N HN 0.579 nan 8.380 nan 0.000 0.492 444 L N 2.476 123.865 121.223 0.277 0.000 2.276 444 L HA 0.821 5.161 4.340 -0.000 0.000 0.286 444 L C -0.234 176.744 176.870 0.179 0.000 1.024 444 L CA -0.886 54.139 54.840 0.308 0.000 0.826 444 L CB 1.186 43.409 42.059 0.273 0.000 1.211 444 L HN 0.641 nan 8.230 nan 0.000 0.422 445 A N 2.312 125.257 122.820 0.209 0.000 2.449 445 A HA 0.819 5.138 4.320 -0.000 0.000 0.302 445 A C -0.007 177.655 177.584 0.130 0.000 1.048 445 A CA -0.389 51.702 52.037 0.089 0.000 0.708 445 A CB 1.598 20.610 19.000 0.021 0.000 1.274 445 A HN 0.682 nan 8.150 nan 0.000 0.410 446 G N 0.308 109.135 108.800 0.046 0.000 2.606 446 G HA2 0.379 4.339 3.960 -0.000 0.000 0.252 446 G HA3 0.379 4.339 3.960 -0.000 0.000 0.252 446 G C 0.461 175.398 174.900 0.062 0.000 1.206 446 G CA 0.409 45.563 45.100 0.090 0.000 0.861 446 G HN 0.834 nan 8.290 nan 0.000 0.561 447 D N 0.144 120.608 120.400 0.107 0.000 2.144 447 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 447 D C 2.218 178.648 176.300 0.216 0.000 0.984 447 D CA 1.473 55.545 54.000 0.120 0.000 0.834 447 D CB -0.977 39.993 40.800 0.284 0.000 0.955 447 D HN 0.475 nan 8.370 nan 0.000 0.465 448 G N 0.387 109.367 108.800 0.299 0.000 2.446 448 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 448 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 448 G C 1.731 176.766 174.900 0.226 0.000 1.168 448 G CA 1.053 46.364 45.100 0.352 0.000 0.771 448 G HN 0.511 nan 8.290 nan 0.000 0.551 449 G N 0.774 109.663 108.800 0.148 0.000 2.408 449 G HA2 0.159 4.119 3.960 -0.000 0.000 0.215 449 G HA3 0.159 4.119 3.960 -0.000 0.000 0.215 449 G C 2.039 176.964 174.900 0.040 0.000 1.156 449 G CA 1.350 46.489 45.100 0.066 0.000 0.793 449 G HN 0.620 nan 8.290 nan 0.000 0.535 450 A N 1.525 124.349 122.820 0.007 0.000 1.902 450 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 450 A C 2.735 180.418 177.584 0.165 0.000 1.181 450 A CA 2.602 54.615 52.037 -0.040 0.000 0.623 450 A CB -0.789 17.972 19.000 -0.398 0.000 0.818 450 A HN 0.750 nan 8.150 nan 0.000 0.443 451 S N -0.556 115.322 115.700 0.296 0.000 2.423 451 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 451 S C 1.966 176.635 174.600 0.114 0.000 1.014 451 S CA 1.598 59.989 58.200 0.319 0.000 0.965 451 S CB -0.613 62.744 63.200 0.262 0.000 0.785 451 S HN 0.506 nan 8.310 nan 0.000 0.495 452 M N 1.804 121.441 119.600 0.063 0.000 2.213 452 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 452 M C 1.703 177.960 176.300 -0.070 0.000 1.062 452 M CA 1.743 57.033 55.300 -0.015 0.000 1.105 452 M CB -0.528 32.052 32.600 -0.033 0.000 1.385 452 M HN 0.677 nan 8.290 nan 0.000 0.417 453 T N -3.330 111.205 114.554 -0.032 0.000 3.200 453 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 453 T C 1.183 175.890 174.700 0.013 0.000 1.009 453 T CA -0.352 61.714 62.100 -0.057 0.000 0.907 453 T CB -0.395 68.430 68.868 -0.071 0.000 1.120 453 T HN 0.413 nan 8.240 nan 0.000 0.534 454 M N 1.287 120.931 119.600 0.074 0.000 2.195 454 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 454 M C 2.324 178.662 176.300 0.064 0.000 1.066 454 M CA 1.795 57.176 55.300 0.135 0.000 1.089 454 M CB -0.857 31.867 32.600 0.206 0.000 1.377 454 M HN 0.210 nan 8.290 nan 0.000 0.411 455 Q N 0.976 120.795 119.800 0.032 0.000 2.234 455 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 455 Q C 0.687 176.703 176.000 0.027 0.000 0.980 455 Q CA 1.969 57.786 55.803 0.024 0.000 0.869 455 Q CB -1.093 27.667 28.738 0.036 0.000 0.912 455 Q HN 0.676 nan 8.270 nan 0.000 0.436 456 D N 0.506 120.923 120.400 0.028 0.000 2.328 456 D HA 0.119 4.759 4.640 -0.000 0.000 0.226 456 D C 1.696 178.014 176.300 0.029 0.000 1.066 456 D CA -0.034 53.983 54.000 0.029 0.000 0.861 456 D CB 0.246 41.056 40.800 0.016 0.000 0.912 456 D HN 0.286 nan 8.370 nan 0.000 0.521 457 L N 0.835 122.077 121.223 0.031 0.000 2.131 457 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 457 L C 2.621 179.496 176.870 0.007 0.000 1.092 457 L CA 0.789 55.645 54.840 0.027 0.000 0.759 457 L CB -0.290 41.794 42.059 0.042 0.000 0.903 457 L HN 0.003 nan 8.230 nan 0.000 0.435 458 A N -0.498 122.321 122.820 -0.001 0.000 2.019 458 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 458 A C 2.331 179.911 177.584 -0.007 0.000 1.164 458 A CA 2.199 54.225 52.037 -0.017 0.000 0.644 458 A CB -0.733 18.256 19.000 -0.018 0.000 0.805 458 A HN 0.394 nan 8.150 nan 0.000 0.449 459 T N 0.004 114.582 114.554 0.041 0.000 2.821 459 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 459 T C 2.016 176.797 174.700 0.135 0.000 1.046 459 T CA 1.581 63.755 62.100 0.123 0.000 1.139 459 T CB -0.234 68.718 68.868 0.140 0.000 0.871 459 T HN 0.645 nan 8.240 nan 0.000 0.454 460 Q N 0.399 120.237 119.800 0.063 0.000 2.096 460 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 460 Q C 2.573 178.560 176.000 -0.023 0.000 0.982 460 Q CA 1.237 57.064 55.803 0.039 0.000 0.850 460 Q CB -0.487 28.263 28.738 0.020 0.000 0.901 460 Q HN 0.356 nan 8.270 nan 0.000 0.422 461 V N 0.910 120.783 119.914 -0.067 0.000 2.261 461 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 461 V C 2.320 178.196 176.094 -0.362 0.000 1.047 461 V CA 2.248 64.452 62.300 -0.159 0.000 1.015 461 V CB -0.701 31.067 31.823 -0.091 0.000 0.642 461 V HN 0.408 nan 8.190 nan 0.000 0.446 462 Q N -0.971 118.645 119.800 -0.307 0.000 2.135 462 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 462 Q C 1.692 177.277 176.000 -0.691 0.000 0.981 462 Q CA 2.032 57.532 55.803 -0.505 0.000 0.856 462 Q CB -0.054 28.373 28.738 -0.518 0.000 0.902 462 Q HN 0.775 nan 8.270 nan 0.000 0.425 463 Y N -1.099 119.087 120.300 -0.190 0.000 2.485 463 Y HA 0.184 4.734 4.550 -0.000 0.000 0.260 463 Y C -0.555 175.349 175.900 0.007 0.000 1.173 463 Y CA 0.083 58.143 58.100 -0.066 0.000 1.252 463 Y CB 0.220 38.650 38.460 -0.051 0.000 1.123 463 Y HN 0.219 nan 8.280 nan 0.000 0.524 464 H N -0.783 118.323 119.070 0.060 0.000 2.756 464 H HA -0.162 4.394 4.556 0.000 0.000 0.315 464 H C -0.802 174.550 175.328 0.041 0.000 1.210 464 H CA 0.321 56.392 56.048 0.039 0.000 1.150 464 H CB -2.001 27.776 29.762 0.026 0.000 1.463 464 H HN 0.244 nan 8.280 nan 0.000 0.427 465 L N 1.233 122.511 121.223 0.093 0.000 2.270 465 L HA 0.273 4.613 4.340 -0.000 0.000 0.286 465 L C -1.779 175.105 176.870 0.024 0.000 1.059 465 L CA -1.900 52.973 54.840 0.054 0.000 0.839 465 L CB 0.751 42.837 42.059 0.045 0.000 1.221 465 L HN -0.038 nan 8.230 nan 0.000 0.431 466 P HA 0.029 nan 4.420 nan 0.000 0.232 466 P C -0.009 177.247 177.300 -0.072 0.000 1.738 466 P CA 0.040 63.127 63.100 -0.022 0.000 0.948 466 P CB -0.154 31.526 31.700 -0.035 0.000 1.943 467 V N 1.945 121.825 119.914 -0.058 0.000 2.740 467 V HA 0.028 4.148 4.120 -0.000 0.000 0.303 467 V C 1.027 177.054 176.094 -0.110 0.000 1.054 467 V CA 0.030 62.278 62.300 -0.087 0.000 1.106 467 V CB 0.484 32.288 31.823 -0.031 0.000 0.957 467 V HN 0.217 nan 8.190 nan 0.000 0.486 468 I N 5.264 125.713 120.570 -0.202 0.000 2.291 468 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 468 I C 0.312 176.440 176.117 0.018 0.000 1.050 468 I CA 0.015 61.227 61.300 -0.148 0.000 1.245 468 I CB 0.111 37.909 38.000 -0.337 0.000 1.405 468 I HN 0.593 nan 8.210 nan 0.000 0.478 469 N N 6.548 125.267 118.700 0.032 0.000 2.434 469 N HA 0.333 5.073 4.740 -0.000 0.000 0.272 469 N C -0.823 174.725 175.510 0.064 0.000 1.040 469 N CA -0.276 52.813 53.050 0.065 0.000 0.956 469 N CB 2.529 41.033 38.487 0.029 0.000 1.108 469 N HN 0.192 nan 8.380 nan 0.000 0.481 470 V N 2.761 122.748 119.914 0.122 0.000 2.376 470 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 470 V C 0.102 176.218 176.094 0.037 0.000 1.015 470 V CA -0.819 61.513 62.300 0.054 0.000 0.834 470 V CB 1.764 33.685 31.823 0.164 0.000 1.001 470 V HN 0.287 nan 8.190 nan 0.000 0.428 471 V N 5.242 125.089 119.914 -0.112 0.000 2.427 471 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 471 V C -0.522 175.492 176.094 -0.134 0.000 1.034 471 V CA -0.411 61.816 62.300 -0.122 0.000 0.893 471 V CB 1.464 33.039 31.823 -0.413 0.000 0.982 471 V HN 0.672 nan 8.190 nan 0.000 0.452 472 F N 2.253 122.162 119.950 -0.069 0.000 2.334 472 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 472 F C 1.025 176.812 175.800 -0.022 0.000 1.124 472 F CA -0.381 57.599 58.000 -0.032 0.000 1.166 472 F CB 0.901 39.883 39.000 -0.030 0.000 1.355 472 F HN 0.341 nan 8.300 nan 0.000 0.532 473 T N 3.193 117.801 114.554 0.089 0.000 2.875 473 T HA 0.084 4.434 4.350 -0.000 0.000 0.307 473 T C 0.992 175.725 174.700 0.056 0.000 1.013 473 T CA -0.467 61.692 62.100 0.099 0.000 0.970 473 T CB -0.146 68.794 68.868 0.120 0.000 0.986 473 T HN 0.504 nan 8.240 nan 0.000 0.536 474 N N 0.287 119.005 118.700 0.030 0.000 2.236 474 N HA 0.032 4.772 4.740 -0.000 0.000 0.196 474 N C 0.495 175.904 175.510 -0.168 0.000 1.114 474 N CA -0.502 52.515 53.050 -0.054 0.000 0.859 474 N CB -0.621 37.833 38.487 -0.056 0.000 0.982 474 N HN 0.539 nan 8.380 nan 0.000 0.493 475 C N 0.548 119.743 119.300 -0.175 0.000 4.268 475 C HA -0.165 4.295 4.460 -0.000 0.000 0.299 475 C C -0.292 173.992 174.990 -1.177 0.000 1.429 475 C CA 0.496 59.239 59.018 -0.457 0.000 2.018 475 C CB -2.931 24.663 27.740 -0.242 0.000 1.277 475 C HN 0.612 nan 8.230 nan 0.000 0.767 476 Q N -2.493 116.657 119.800 -1.082 0.000 2.462 476 Q HA 0.472 4.812 4.340 -0.000 0.000 0.285 476 Q C -1.069 174.641 176.000 -0.482 0.000 1.035 476 Q CA -0.779 54.458 55.803 -0.944 0.000 0.799 476 Q CB 1.319 29.806 28.738 -0.418 0.000 1.452 476 Q HN 0.317 nan 8.270 nan 0.000 0.404 477 Y N 0.968 121.272 120.300 0.007 0.000 2.632 477 Y HA 0.182 4.732 4.550 -0.000 0.000 0.336 477 Y C 1.348 177.291 175.900 0.070 0.000 1.237 477 Y CA -0.153 58.047 58.100 0.168 0.000 1.595 477 Y CB -0.034 38.561 38.460 0.226 0.000 1.508 477 Y HN 0.956 nan 8.280 nan 0.000 0.480 478 G N 2.354 111.253 108.800 0.165 0.000 2.476 478 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 478 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 478 G C 1.649 176.663 174.900 0.189 0.000 1.164 478 G CA 0.342 45.505 45.100 0.104 0.000 0.768 478 G HN 0.777 nan 8.290 nan 0.000 0.560 479 W N 0.669 121.998 121.300 0.048 0.000 2.321 479 W HA -0.162 4.498 4.660 0.000 0.000 0.306 479 W C 2.040 178.589 176.519 0.049 0.000 1.217 479 W CA 1.075 58.443 57.345 0.037 0.000 1.257 479 W CB 0.042 29.522 29.460 0.034 0.000 1.145 479 W HN 0.142 nan 8.180 nan 0.000 0.509 480 I N 0.415 121.127 120.570 0.236 0.000 2.584 480 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 480 I C 2.212 178.385 176.117 0.093 0.000 1.145 480 I CA 1.180 62.560 61.300 0.133 0.000 1.462 480 I CB -1.562 36.546 38.000 0.180 0.000 1.102 480 I HN -0.019 nan 8.210 nan 0.000 0.433 481 K N 1.361 121.800 120.400 0.065 0.000 2.063 481 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 481 K C 1.565 178.189 176.600 0.041 0.000 1.048 481 K CA 1.950 58.203 56.287 -0.057 0.000 0.928 481 K CB 0.069 32.385 32.500 -0.307 0.000 0.713 481 K HN 0.185 nan 8.250 nan 0.000 0.442 482 D N 0.583 120.979 120.400 -0.005 0.000 2.144 482 D HA -0.122 4.517 4.640 -0.000 0.000 0.200 482 D C 1.729 178.023 176.300 -0.010 0.000 0.978 482 D CA 1.059 55.060 54.000 0.002 0.000 0.833 482 D CB -0.060 40.696 40.800 -0.072 0.000 0.961 482 D HN 0.395 nan 8.370 nan 0.000 0.470 483 E N 0.656 120.813 120.200 -0.072 0.000 2.058 483 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 483 E C 2.172 178.792 176.600 0.034 0.000 0.997 483 E CA 0.822 57.185 56.400 -0.062 0.000 0.801 483 E CB -0.063 29.583 29.700 -0.091 0.000 0.746 483 E HN 0.361 nan 8.360 nan 0.000 0.450 484 Q N 0.468 120.338 119.800 0.117 0.000 2.096 484 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 484 Q C 2.215 178.295 176.000 0.132 0.000 0.982 484 Q CA 1.296 57.195 55.803 0.160 0.000 0.850 484 Q CB -0.106 28.811 28.738 0.298 0.000 0.901 484 Q HN 0.319 nan 8.270 nan 0.000 0.422 485 E N 0.662 121.023 120.200 0.269 0.000 2.085 485 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 485 E C 1.118 177.749 176.600 0.052 0.000 0.994 485 E CA 1.473 57.972 56.400 0.164 0.000 0.801 485 E CB 0.158 30.037 29.700 0.298 0.000 0.743 485 E HN 0.301 nan 8.360 nan 0.000 0.453 486 D N -0.739 119.687 120.400 0.044 0.000 2.149 486 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 486 D C 2.021 178.318 176.300 -0.005 0.000 0.972 486 D CA 1.998 56.004 54.000 0.010 0.000 0.835 486 D CB -0.143 40.649 40.800 -0.014 0.000 0.966 486 D HN 0.395 nan 8.370 nan 0.000 0.476 487 T N -2.825 111.727 114.554 -0.004 0.000 3.018 487 T HA 0.098 4.448 4.350 -0.000 0.000 0.246 487 T C 0.778 175.467 174.700 -0.017 0.000 1.026 487 T CA -0.398 61.696 62.100 -0.010 0.000 1.081 487 T CB 0.079 68.944 68.868 -0.006 0.000 0.970 487 T HN -0.205 nan 8.240 nan 0.000 0.475 488 N N 2.372 121.058 118.700 -0.022 0.000 2.514 488 N HA 0.249 4.989 4.740 -0.000 0.000 0.277 488 N C 0.917 176.387 175.510 -0.066 0.000 1.126 488 N CA -0.296 52.733 53.050 -0.036 0.000 0.978 488 N CB 1.514 39.984 38.487 -0.028 0.000 1.106 488 N HN 0.472 nan 8.380 nan 0.000 0.461 489 Q N 1.819 121.587 119.800 -0.053 0.000 2.163 489 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 489 Q C -0.325 175.626 176.000 -0.081 0.000 0.954 489 Q CA 0.814 56.581 55.803 -0.060 0.000 0.851 489 Q CB 0.293 29.008 28.738 -0.039 0.000 0.928 489 Q HN 0.512 nan 8.270 nan 0.000 0.459 490 N N 1.067 119.721 118.700 -0.076 0.000 2.491 490 N HA 0.127 4.866 4.740 -0.000 0.000 0.279 490 N C -0.872 174.561 175.510 -0.129 0.000 1.236 490 N CA -0.419 52.584 53.050 -0.078 0.000 0.982 490 N CB 0.413 38.876 38.487 -0.039 0.000 1.194 490 N HN 0.087 nan 8.380 nan 0.000 0.582 491 D N 0.077 120.412 120.400 -0.107 0.000 2.378 491 D HA 0.084 4.724 4.640 -0.000 0.000 0.238 491 D C 0.113 176.354 176.300 -0.098 0.000 1.180 491 D CA 0.245 54.156 54.000 -0.149 0.000 0.895 491 D CB 0.103 40.879 40.800 -0.040 0.000 1.192 491 D HN 0.175 nan 8.370 nan 0.000 0.438 492 F N 0.719 120.678 119.950 0.015 0.000 2.623 492 F HA 0.033 4.560 4.527 -0.000 0.000 0.381 492 F C 0.960 176.781 175.800 0.035 0.000 1.081 492 F CA 0.430 58.445 58.000 0.024 0.000 1.293 492 F CB -0.212 38.798 39.000 0.016 0.000 1.006 492 F HN 0.108 nan 8.300 nan 0.000 0.578 493 I N 1.648 122.376 120.570 0.263 0.000 2.571 493 I HA 0.502 4.672 4.170 -0.000 0.000 0.289 493 I C 0.400 176.629 176.117 0.187 0.000 1.115 493 I CA -0.131 61.275 61.300 0.177 0.000 1.045 493 I CB 1.673 39.745 38.000 0.120 0.000 1.238 493 I HN 0.687 nan 8.210 nan 0.000 0.424 494 G N 4.379 113.290 108.800 0.185 0.000 2.162 494 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 494 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 494 G C 0.431 175.544 174.900 0.355 0.000 0.976 494 G CA 0.713 45.959 45.100 0.243 0.000 0.655 494 G HN 1.361 nan 8.290 nan 0.000 0.533 495 V N -3.674 116.383 119.914 0.238 0.000 3.604 495 V HA 0.533 4.653 4.120 -0.000 0.000 0.277 495 V C 0.431 176.436 176.094 -0.147 0.000 1.399 495 V CA 0.750 63.159 62.300 0.183 0.000 1.034 495 V CB 0.405 32.300 31.823 0.118 0.000 0.824 495 V HN 0.339 nan 8.190 nan 0.000 0.439 496 E N 1.490 121.601 120.200 -0.148 0.000 2.187 496 E HA 0.685 5.035 4.350 -0.000 0.000 0.268 496 E C -1.277 175.218 176.600 -0.175 0.000 0.896 496 E CA -0.604 55.591 56.400 -0.342 0.000 0.766 496 E CB 2.327 31.889 29.700 -0.230 0.000 1.142 496 E HN 0.507 nan 8.360 nan 0.000 0.408 497 F N -0.728 119.152 119.950 -0.116 0.000 2.754 497 F HA 0.490 5.017 4.527 -0.000 0.000 0.320 497 F C -0.541 175.217 175.800 -0.069 0.000 1.156 497 F CA -1.690 56.254 58.000 -0.093 0.000 0.950 497 F CB 0.329 39.243 39.000 -0.144 0.000 1.388 497 F HN 0.106 nan 8.300 nan 0.000 0.485 498 N N 0.766 119.650 118.700 0.307 0.000 2.479 498 N HA 0.135 4.875 4.740 -0.000 0.000 0.257 498 N C -1.112 174.534 175.510 0.226 0.000 1.232 498 N CA 0.106 53.262 53.050 0.178 0.000 0.920 498 N CB 0.232 38.777 38.487 0.097 0.000 1.105 498 N HN 0.802 nan 8.380 nan 0.000 0.444 499 D N 0.870 121.344 120.400 0.124 0.000 2.488 499 D HA 0.079 4.719 4.640 -0.000 0.000 0.238 499 D C -0.588 175.756 176.300 0.072 0.000 1.138 499 D CA 0.427 54.494 54.000 0.112 0.000 0.873 499 D CB 0.368 41.203 40.800 0.058 0.000 1.183 499 D HN 0.290 nan 8.370 nan 0.000 0.458 500 I N 2.784 123.401 120.570 0.080 0.000 2.433 500 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 500 I C -0.398 175.694 176.117 -0.042 0.000 1.001 500 I CA -0.880 60.377 61.300 -0.071 0.000 1.119 500 I CB 1.813 39.669 38.000 -0.241 0.000 1.289 500 I HN 0.384 nan 8.210 nan 0.000 0.438 501 D N 5.957 126.299 120.400 -0.097 0.000 2.411 501 D HA 0.147 4.787 4.640 -0.000 0.000 0.225 501 D C 0.602 176.854 176.300 -0.080 0.000 1.156 501 D CA -0.057 53.928 54.000 -0.025 0.000 0.874 501 D CB 0.523 41.308 40.800 -0.024 0.000 1.034 501 D HN 0.298 nan 8.370 nan 0.000 0.502 502 F N 1.433 121.381 119.950 -0.003 0.000 2.365 502 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 502 F C 2.678 178.462 175.800 -0.027 0.000 1.090 502 F CA 0.807 58.800 58.000 -0.011 0.000 1.408 502 F CB 0.041 39.043 39.000 0.003 0.000 1.060 502 F HN 0.383 nan 8.300 nan 0.000 0.534 503 S N -0.205 115.561 115.700 0.111 0.000 2.402 503 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 503 S C 1.866 176.451 174.600 -0.026 0.000 1.021 503 S CA 0.847 59.063 58.200 0.027 0.000 0.974 503 S CB -0.346 62.857 63.200 0.005 0.000 0.800 503 S HN 0.383 nan 8.310 nan 0.000 0.484 504 K N 0.535 120.911 120.400 -0.041 0.000 2.076 504 K HA 0.141 4.461 4.320 -0.000 0.000 0.204 504 K C 1.992 178.533 176.600 -0.099 0.000 1.051 504 K CA 0.943 57.187 56.287 -0.071 0.000 0.949 504 K CB -0.272 32.183 32.500 -0.074 0.000 0.726 504 K HN 0.291 nan 8.250 nan 0.000 0.443 505 I N 1.743 122.233 120.570 -0.134 0.000 2.118 505 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 505 I C 2.538 178.606 176.117 -0.081 0.000 1.070 505 I CA 1.547 62.759 61.300 -0.146 0.000 1.327 505 I CB -1.533 36.312 38.000 -0.259 0.000 1.034 505 I HN 0.107 nan 8.210 nan 0.000 0.405 506 A N 0.613 123.418 122.820 -0.025 0.000 1.883 506 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 506 A C 2.162 179.695 177.584 -0.085 0.000 1.186 506 A CA 2.316 54.335 52.037 -0.029 0.000 0.624 506 A CB -0.929 18.070 19.000 -0.002 0.000 0.822 506 A HN 0.445 nan 8.150 nan 0.000 0.444 507 D N -0.479 119.868 120.400 -0.088 0.000 2.133 507 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 507 D C 1.982 178.179 176.300 -0.173 0.000 0.997 507 D CA 1.743 55.688 54.000 -0.093 0.000 0.840 507 D CB -0.627 40.130 40.800 -0.071 0.000 0.947 507 D HN 0.324 nan 8.370 nan 0.000 0.452 508 G N -0.021 108.664 108.800 -0.191 0.000 2.432 508 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 508 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 508 G C 1.547 176.160 174.900 -0.479 0.000 1.135 508 G CA 1.328 46.267 45.100 -0.268 0.000 0.767 508 G HN 0.427 nan 8.290 nan 0.000 0.550 509 V N -3.509 116.180 119.914 -0.375 0.000 3.596 509 V HA 0.269 4.389 4.120 -0.000 0.000 0.289 509 V C 0.819 176.705 176.094 -0.348 0.000 1.336 509 V CA 0.203 62.289 62.300 -0.357 0.000 1.137 509 V CB -1.075 30.662 31.823 -0.143 0.000 0.966 509 V HN 0.529 nan 8.190 nan 0.000 0.428 510 H N -1.150 117.896 119.070 -0.040 0.000 2.933 510 H HA -0.140 4.416 4.556 0.000 0.000 0.301 510 H C -0.122 175.179 175.328 -0.046 0.000 1.280 510 H CA 1.192 57.214 56.048 -0.044 0.000 1.155 510 H CB -1.677 28.059 29.762 -0.044 0.000 1.379 510 H HN 0.709 nan 8.280 nan 0.000 0.419 511 M N 0.894 120.488 119.600 -0.009 0.000 2.311 511 M HA 0.281 4.761 4.480 -0.000 0.000 0.325 511 M C 0.010 176.282 176.300 -0.047 0.000 1.061 511 M CA -0.543 54.747 55.300 -0.018 0.000 0.957 511 M CB 1.494 34.080 32.600 -0.023 0.000 1.646 511 M HN 0.157 nan 8.290 nan 0.000 0.434 512 Q N 2.455 122.221 119.800 -0.057 0.000 2.361 512 Q HA 0.502 4.842 4.340 -0.000 0.000 0.276 512 Q C -0.863 175.024 176.000 -0.188 0.000 1.022 512 Q CA 0.173 55.894 55.803 -0.138 0.000 0.898 512 Q CB 0.958 29.627 28.738 -0.114 0.000 1.246 512 Q HN 0.739 nan 8.270 nan 0.000 0.410 513 A N 2.383 124.979 122.820 -0.373 0.000 2.606 513 A HA 0.781 5.101 4.320 -0.000 0.000 0.293 513 A C -1.762 175.453 177.584 -0.614 0.000 1.082 513 A CA -0.663 51.184 52.037 -0.316 0.000 0.685 513 A CB 1.147 20.076 19.000 -0.118 0.000 1.284 513 A HN 0.555 nan 8.150 nan 0.000 0.408 514 F N -0.250 119.668 119.950 -0.053 0.000 2.588 514 F HA 0.817 5.344 4.527 -0.000 0.000 0.314 514 F C 0.184 175.959 175.800 -0.043 0.000 1.069 514 F CA -0.520 57.449 58.000 -0.053 0.000 0.931 514 F CB 2.397 41.347 39.000 -0.084 0.000 1.260 514 F HN 0.659 nan 8.300 nan 0.000 0.465 515 R N 1.549 122.145 120.500 0.159 0.000 2.534 515 R HA 0.847 5.187 4.340 -0.000 0.000 0.301 515 R C -1.913 174.436 176.300 0.082 0.000 0.961 515 R CA -0.694 55.462 56.100 0.094 0.000 0.871 515 R CB 1.700 32.038 30.300 0.064 0.000 1.170 515 R HN 0.625 nan 8.270 nan 0.000 0.446 516 V N 2.297 122.241 119.914 0.049 0.000 2.823 516 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 516 V C -0.572 175.531 176.094 0.016 0.000 1.072 516 V CA -0.763 61.558 62.300 0.035 0.000 0.937 516 V CB 2.188 34.032 31.823 0.036 0.000 1.013 516 V HN 1.012 nan 8.190 nan 0.000 0.430 517 N N 0.722 119.429 118.700 0.011 0.000 2.118 517 N HA 0.247 4.987 4.740 -0.000 0.000 0.226 517 N C -0.300 175.206 175.510 -0.006 0.000 1.305 517 N CA -0.459 52.591 53.050 -0.000 0.000 0.890 517 N CB 0.607 39.095 38.487 0.003 0.000 1.118 517 N HN 0.766 nan 8.380 nan 0.000 0.511 518 K N 0.245 120.643 120.400 -0.003 0.000 2.378 518 K HA 0.488 4.808 4.320 -0.000 0.000 0.252 518 K C 0.793 177.386 176.600 -0.012 0.000 0.931 518 K CA -0.674 55.608 56.287 -0.008 0.000 0.794 518 K CB 2.563 35.061 32.500 -0.004 0.000 1.181 518 K HN -0.201 nan 8.250 nan 0.000 0.425 519 I N 2.088 122.645 120.570 -0.022 0.000 2.194 519 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 519 I C 2.196 178.296 176.117 -0.027 0.000 1.093 519 I CA 1.490 62.770 61.300 -0.032 0.000 1.355 519 I CB -0.130 37.848 38.000 -0.036 0.000 1.046 519 I HN 0.729 nan 8.210 nan 0.000 0.413 520 E N 1.254 121.443 120.200 -0.019 0.000 2.409 520 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 520 E C 1.639 178.234 176.600 -0.008 0.000 1.024 520 E CA 0.950 57.341 56.400 -0.016 0.000 0.861 520 E CB -0.407 29.286 29.700 -0.012 0.000 0.788 520 E HN 0.645 nan 8.360 nan 0.000 0.521 521 Q N 0.362 120.162 119.800 -0.001 0.000 2.389 521 Q HA 0.136 4.476 4.340 -0.000 0.000 0.204 521 Q C 2.299 178.312 176.000 0.021 0.000 0.944 521 Q CA 0.289 56.096 55.803 0.008 0.000 0.908 521 Q CB 0.032 28.779 28.738 0.015 0.000 1.002 521 Q HN 0.291 nan 8.270 nan 0.000 0.493 522 L N 0.626 121.867 121.223 0.029 0.000 2.017 522 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 522 L C -0.674 176.262 176.870 0.109 0.000 1.073 522 L CA 1.242 56.138 54.840 0.094 0.000 0.745 522 L CB -1.553 40.478 42.059 -0.046 0.000 0.894 522 L HN 0.146 nan 8.230 nan 0.000 0.432 523 P HA -0.193 nan 4.420 nan 0.000 0.215 523 P C 1.006 178.322 177.300 0.027 0.000 1.157 523 P CA 1.628 64.737 63.100 0.015 0.000 0.868 523 P CB 0.047 31.739 31.700 -0.012 0.000 0.788 524 D N -1.290 119.106 120.400 -0.006 0.000 2.149 524 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 524 D C 1.801 178.014 176.300 -0.144 0.000 0.972 524 D CA 0.617 54.589 54.000 -0.046 0.000 0.835 524 D CB -0.374 40.404 40.800 -0.038 0.000 0.966 524 D HN -0.190 nan 8.370 nan 0.000 0.476 525 V N -0.006 119.787 119.914 -0.202 0.000 2.295 525 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 525 V C 2.003 177.797 176.094 -0.501 0.000 1.049 525 V CA 1.451 63.422 62.300 -0.549 0.000 1.024 525 V CB -0.651 30.899 31.823 -0.455 0.000 0.648 525 V HN 0.234 nan 8.190 nan 0.000 0.447 526 F N 0.111 119.913 119.950 -0.246 0.000 2.171 526 F HA -0.108 4.418 4.527 -0.000 0.000 0.300 526 F C 2.549 178.291 175.800 -0.097 0.000 1.090 526 F CA 1.390 59.311 58.000 -0.131 0.000 1.293 526 F CB -0.374 38.591 39.000 -0.059 0.000 1.013 526 F HN 0.135 nan 8.300 nan 0.000 0.486 527 E N 0.238 120.470 120.200 0.053 0.000 2.077 527 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 527 E C 2.173 178.754 176.600 -0.030 0.000 0.989 527 E CA 1.179 57.589 56.400 0.016 0.000 0.800 527 E CB -0.571 29.136 29.700 0.010 0.000 0.746 527 E HN 0.552 nan 8.360 nan 0.000 0.452 528 Q N 0.068 119.801 119.800 -0.112 0.000 2.096 528 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 528 Q C 2.152 178.138 176.000 -0.022 0.000 0.982 528 Q CA 1.544 57.301 55.803 -0.076 0.000 0.850 528 Q CB -0.172 28.473 28.738 -0.155 0.000 0.901 528 Q HN 0.235 nan 8.270 nan 0.000 0.422 529 A N 1.363 124.107 122.820 -0.125 0.000 1.898 529 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 529 A C 1.994 179.565 177.584 -0.022 0.000 1.181 529 A CA 1.544 53.555 52.037 -0.043 0.000 0.620 529 A CB -0.454 18.430 19.000 -0.193 0.000 0.819 529 A HN 0.226 nan 8.150 nan 0.000 0.442 530 K N -0.266 120.130 120.400 -0.007 0.000 2.059 530 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 530 K C 2.127 178.719 176.600 -0.014 0.000 1.050 530 K CA 1.588 57.877 56.287 0.005 0.000 0.927 530 K CB -0.340 32.189 32.500 0.050 0.000 0.714 530 K HN 0.393 nan 8.250 nan 0.000 0.447 531 A N 0.995 123.820 122.820 0.007 0.000 1.873 531 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 531 A C 2.098 179.698 177.584 0.026 0.000 1.186 531 A CA 1.412 53.459 52.037 0.017 0.000 0.616 531 A CB -0.531 18.493 19.000 0.040 0.000 0.823 531 A HN 0.343 nan 8.150 nan 0.000 0.442 532 I N 0.150 120.751 120.570 0.052 0.000 2.208 532 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 532 I C 2.635 178.767 176.117 0.025 0.000 1.097 532 I CA 1.259 62.601 61.300 0.071 0.000 1.363 532 I CB -0.228 37.833 38.000 0.101 0.000 1.051 532 I HN 0.325 nan 8.210 nan 0.000 0.413 533 A N -0.133 122.672 122.820 -0.026 0.000 2.255 533 A HA -0.104 4.216 4.320 -0.000 0.000 0.206 533 A C 1.970 179.472 177.584 -0.136 0.000 1.193 533 A CA 0.627 52.617 52.037 -0.078 0.000 0.794 533 A CB -0.314 18.610 19.000 -0.126 0.000 0.794 533 A HN 0.373 nan 8.150 nan 0.000 0.481 534 Q N -0.650 119.040 119.800 -0.183 0.000 2.291 534 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 534 Q C 0.621 176.216 176.000 -0.675 0.000 0.970 534 Q CA 1.747 57.303 55.803 -0.412 0.000 0.876 534 Q CB -0.226 28.223 28.738 -0.482 0.000 0.935 534 Q HN 0.969 nan 8.270 nan 0.000 0.455 535 H N -1.992 117.079 119.070 0.001 0.000 3.734 535 H HA 0.279 4.835 4.556 -0.000 0.000 0.253 535 H C -0.176 175.172 175.328 0.033 0.000 1.072 535 H CA -0.134 55.920 56.048 0.011 0.000 1.147 535 H CB 1.193 30.959 29.762 0.007 0.000 1.495 535 H HN -0.106 nan 8.280 nan 0.000 0.588 536 E N 0.824 121.092 120.200 0.114 0.000 2.390 536 E HA 0.257 4.607 4.350 -0.000 0.000 0.277 536 E C -2.829 173.796 176.600 0.040 0.000 0.939 536 E CA -2.260 54.199 56.400 0.099 0.000 0.769 536 E CB 2.455 32.221 29.700 0.110 0.000 1.251 536 E HN -0.069 nan 8.360 nan 0.000 0.450 537 P HA 0.166 nan 4.420 nan 0.000 0.272 537 P C -0.460 176.842 177.300 0.004 0.000 1.230 537 P CA -0.246 62.854 63.100 0.001 0.000 0.788 537 P CB 1.047 32.747 31.700 -0.000 0.000 0.949 538 V N 3.075 122.987 119.914 -0.003 0.000 3.049 538 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 538 V C -1.402 174.701 176.094 0.014 0.000 1.148 538 V CA -1.118 61.191 62.300 0.015 0.000 0.990 538 V CB 2.237 34.093 31.823 0.054 0.000 1.039 538 V HN 0.475 nan 8.190 nan 0.000 0.430 539 L N 5.519 126.758 121.223 0.027 0.000 2.386 539 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 539 L C -1.375 175.526 176.870 0.051 0.000 0.993 539 L CA -0.439 54.417 54.840 0.027 0.000 0.819 539 L CB 1.867 43.948 42.059 0.037 0.000 1.294 539 L HN 0.694 nan 8.230 nan 0.000 0.414 540 I N 3.754 124.314 120.570 -0.016 0.000 2.382 540 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 540 I C -1.044 175.038 176.117 -0.059 0.000 1.002 540 I CA -0.425 60.842 61.300 -0.055 0.000 1.135 540 I CB 1.672 39.478 38.000 -0.323 0.000 1.288 540 I HN 0.502 nan 8.210 nan 0.000 0.448 541 D N 6.480 126.882 120.400 0.003 0.000 2.428 541 D HA 0.409 5.049 4.640 -0.000 0.000 0.221 541 D C -0.273 176.010 176.300 -0.029 0.000 1.123 541 D CA -0.192 53.812 54.000 0.006 0.000 0.869 541 D CB 1.291 42.159 40.800 0.114 0.000 1.032 541 D HN 0.559 nan 8.370 nan 0.000 0.506 542 A N 4.235 126.982 122.820 -0.121 0.000 2.316 542 A HA 0.393 4.713 4.320 -0.000 0.000 0.311 542 A C -0.027 177.512 177.584 -0.076 0.000 1.339 542 A CA -0.686 51.273 52.037 -0.130 0.000 0.960 542 A CB 0.404 19.233 19.000 -0.285 0.000 1.152 542 A HN 0.416 nan 8.150 nan 0.000 0.547 543 V N 5.593 125.492 119.914 -0.025 0.000 2.397 543 V HA 0.162 4.282 4.120 -0.000 0.000 0.262 543 V C 0.476 176.557 176.094 -0.022 0.000 1.047 543 V CA 0.433 62.730 62.300 -0.005 0.000 1.003 543 V CB -0.936 30.892 31.823 0.008 0.000 1.037 543 V HN 0.724 nan 8.190 nan 0.000 0.480 544 I N 2.294 122.853 120.570 -0.018 0.000 2.947 544 I HA 0.776 4.946 4.170 -0.000 0.000 0.314 544 I C 0.757 176.850 176.117 -0.040 0.000 1.028 544 I CA -0.639 60.642 61.300 -0.032 0.000 1.077 544 I CB 1.879 39.874 38.000 -0.009 0.000 1.274 544 I HN 0.535 nan 8.210 nan 0.000 0.485 545 T N -0.212 114.308 114.554 -0.057 0.000 2.766 545 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 545 T C 0.960 175.623 174.700 -0.061 0.000 1.024 545 T CA -0.154 61.913 62.100 -0.054 0.000 1.018 545 T CB 0.954 69.793 68.868 -0.048 0.000 1.002 545 T HN 0.933 nan 8.240 nan 0.000 0.532 546 G N 0.035 108.799 108.800 -0.061 0.000 3.314 546 G HA2 0.161 4.121 3.960 -0.000 0.000 0.238 546 G HA3 0.161 4.121 3.960 -0.000 0.000 0.238 546 G C -0.030 174.845 174.900 -0.042 0.000 1.184 546 G CA -0.506 44.552 45.100 -0.070 0.000 0.806 546 G HN 0.770 nan 8.290 nan 0.000 0.536 547 D N 0.817 121.204 120.400 -0.021 0.000 2.487 547 D HA -0.001 4.639 4.640 -0.000 0.000 0.243 547 D C 0.679 177.024 176.300 0.075 0.000 1.154 547 D CA 0.355 54.372 54.000 0.028 0.000 0.876 547 D CB 1.196 42.033 40.800 0.063 0.000 1.161 547 D HN 0.188 nan 8.370 nan 0.000 0.478 548 R N 3.582 124.157 120.500 0.125 0.000 2.401 548 R HA 0.145 4.484 4.340 -0.000 0.000 0.299 548 R C -2.185 174.312 176.300 0.328 0.000 1.064 548 R CA -1.133 55.090 56.100 0.205 0.000 1.000 548 R CB 0.523 30.974 30.300 0.251 0.000 0.973 548 R HN 0.210 nan 8.270 nan 0.000 0.438 549 P HA -0.034 nan 4.420 nan 0.000 0.275 549 P C -0.327 177.003 177.300 0.049 0.000 1.228 549 P CA -0.296 62.973 63.100 0.283 0.000 0.786 549 P CB 0.625 32.486 31.700 0.268 0.000 0.927 550 L N 4.466 125.662 121.223 -0.046 0.000 2.667 550 L HA 0.032 4.372 4.340 -0.000 0.000 0.278 550 L C -1.894 174.787 176.870 -0.315 0.000 1.217 550 L CA -0.954 53.576 54.840 -0.517 0.000 0.935 550 L CB -0.271 41.720 42.059 -0.114 0.000 1.193 550 L HN 0.276 nan 8.230 nan 0.000 0.493 551 P HA 0.121 nan 4.420 nan 0.000 0.284 551 P C -0.068 177.185 177.300 -0.077 0.000 1.343 551 P CA -0.330 62.664 63.100 -0.177 0.000 0.826 551 P CB 1.496 33.110 31.700 -0.143 0.000 0.956 552 A N 4.438 127.209 122.820 -0.080 0.000 2.067 552 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 552 A C 1.737 179.235 177.584 -0.143 0.000 1.158 552 A CA 1.129 53.088 52.037 -0.130 0.000 0.661 552 A CB -0.648 18.234 19.000 -0.196 0.000 0.801 552 A HN 0.555 nan 8.150 nan 0.000 0.452 553 E N 0.389 120.513 120.200 -0.126 0.000 2.489 553 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 553 E C -0.021 176.517 176.600 -0.104 0.000 1.057 553 E CA 0.486 56.810 56.400 -0.125 0.000 0.866 553 E CB -0.100 29.518 29.700 -0.138 0.000 0.916 553 E HN 0.552 nan 8.360 nan 0.000 0.500 554 K N 1.366 121.718 120.400 -0.080 0.000 3.309 554 K HA 0.339 4.659 4.320 -0.000 0.000 0.187 554 K C -0.432 176.100 176.600 -0.114 0.000 1.085 554 K CA -0.306 55.945 56.287 -0.060 0.000 0.867 554 K CB 0.773 33.280 32.500 0.012 0.000 0.846 554 K HN -0.010 nan 8.250 nan 0.000 0.522 555 L N 1.944 123.020 121.223 -0.245 0.000 2.455 555 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 555 L C 0.517 176.962 176.870 -0.710 0.000 1.174 555 L CA 0.067 54.572 54.840 -0.558 0.000 0.869 555 L CB 0.179 42.017 42.059 -0.368 0.000 1.130 555 L HN 0.076 nan 8.230 nan 0.000 0.474 556 R N 5.970 125.671 120.500 -1.333 0.000 2.494 556 R HA 0.360 4.700 4.340 -0.000 0.000 0.284 556 R C -0.080 175.855 176.300 -0.608 0.000 1.525 556 R CA -0.094 55.562 56.100 -0.741 0.000 1.460 556 R CB 0.701 30.736 30.300 -0.442 0.000 1.134 556 R HN 0.721 nan 8.270 nan 0.000 0.592 557 L N -0.841 120.147 121.223 -0.392 0.000 3.227 557 L HA 0.256 4.596 4.340 -0.000 0.000 0.287 557 L C 0.170 176.952 176.870 -0.146 0.000 1.161 557 L CA 0.013 54.723 54.840 -0.217 0.000 1.048 557 L CB 0.771 42.717 42.059 -0.189 0.000 1.541 557 L HN 0.177 nan 8.230 nan 0.000 0.590 558 D N -0.016 120.292 120.400 -0.153 0.000 2.373 558 D HA 0.171 4.810 4.640 -0.000 0.000 0.227 558 D C 0.923 177.166 176.300 -0.094 0.000 1.091 558 D CA 0.128 54.058 54.000 -0.116 0.000 0.840 558 D CB 1.909 42.641 40.800 -0.113 0.000 1.060 558 D HN -0.172 nan 8.370 nan 0.000 0.502 559 S N 2.422 118.076 115.700 -0.078 0.000 2.407 559 S HA -0.233 4.237 4.470 -0.000 0.000 0.235 559 S C 1.720 176.287 174.600 -0.055 0.000 1.036 559 S CA 1.599 59.763 58.200 -0.061 0.000 1.013 559 S CB 0.105 63.273 63.200 -0.054 0.000 0.820 559 S HN 0.684 nan 8.310 nan 0.000 0.476 560 A N -0.163 122.623 122.820 -0.057 0.000 2.123 560 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 560 A C 1.871 179.426 177.584 -0.050 0.000 1.152 560 A CA 0.634 52.642 52.037 -0.048 0.000 0.728 560 A CB -0.200 18.773 19.000 -0.044 0.000 0.814 560 A HN 0.527 nan 8.150 nan 0.000 0.464 561 M N -1.361 118.202 119.600 -0.062 0.000 2.449 561 M HA 0.181 4.661 4.480 -0.000 0.000 0.262 561 M C -0.241 176.018 176.300 -0.069 0.000 1.152 561 M CA 0.322 55.583 55.300 -0.065 0.000 1.104 561 M CB 0.732 33.285 32.600 -0.079 0.000 1.416 561 M HN 0.158 nan 8.290 nan 0.000 0.519 562 S N 0.095 115.751 115.700 -0.073 0.000 2.599 562 S HA 0.482 4.952 4.470 -0.000 0.000 0.287 562 S C -0.261 174.308 174.600 -0.051 0.000 1.105 562 S CA -1.030 57.129 58.200 -0.069 0.000 0.899 562 S CB 1.945 65.087 63.200 -0.097 0.000 1.100 562 S HN 0.358 nan 8.310 nan 0.000 0.482 563 S N 1.009 116.686 115.700 -0.038 0.000 2.585 563 S HA 0.494 4.964 4.470 -0.000 0.000 0.273 563 S C 1.331 175.917 174.600 -0.023 0.000 1.339 563 S CA -0.230 57.954 58.200 -0.026 0.000 1.028 563 S CB 0.809 63.998 63.200 -0.018 0.000 0.906 563 S HN 0.927 nan 8.310 nan 0.000 0.528 564 A N 2.607 125.417 122.820 -0.018 0.000 1.940 564 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 564 A C 2.376 179.960 177.584 -0.000 0.000 1.176 564 A CA 1.798 53.828 52.037 -0.012 0.000 0.631 564 A CB -1.601 17.392 19.000 -0.012 0.000 0.814 564 A HN 1.357 nan 8.150 nan 0.000 0.446 565 A N -0.050 122.771 122.820 0.001 0.000 1.902 565 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 565 A C 1.800 179.397 177.584 0.022 0.000 1.181 565 A CA 1.892 53.935 52.037 0.009 0.000 0.623 565 A CB -0.607 18.396 19.000 0.004 0.000 0.818 565 A HN 0.431 nan 8.150 nan 0.000 0.443 566 D N 0.039 120.449 120.400 0.018 0.000 2.123 566 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 566 D C 1.812 178.150 176.300 0.064 0.000 0.992 566 D CA 1.209 55.229 54.000 0.034 0.000 0.833 566 D CB -0.309 40.494 40.800 0.005 0.000 0.954 566 D HN 0.535 nan 8.370 nan 0.000 0.455 567 I N 0.837 121.426 120.570 0.031 0.000 2.202 567 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 567 I C 2.267 178.450 176.117 0.110 0.000 1.091 567 I CA 0.924 62.253 61.300 0.048 0.000 1.368 567 I CB -0.108 37.889 38.000 -0.005 0.000 1.058 567 I HN -0.109 nan 8.210 nan 0.000 0.410 568 E N 0.992 121.232 120.200 0.066 0.000 2.110 568 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 568 E C 2.306 178.949 176.600 0.070 0.000 0.988 568 E CA 1.431 57.868 56.400 0.061 0.000 0.804 568 E CB -0.384 29.334 29.700 0.030 0.000 0.745 568 E HN 0.491 nan 8.360 nan 0.000 0.458 569 A N 0.548 123.412 122.820 0.075 0.000 1.877 569 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 569 A C 2.160 179.790 177.584 0.076 0.000 1.186 569 A CA 1.373 53.443 52.037 0.055 0.000 0.620 569 A CB -0.871 18.161 19.000 0.054 0.000 0.822 569 A HN 0.310 nan 8.150 nan 0.000 0.443 570 F N 0.635 120.598 119.950 0.021 0.000 2.102 570 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 570 F C 2.205 178.070 175.800 0.108 0.000 1.105 570 F CA 2.158 60.226 58.000 0.113 0.000 1.239 570 F CB -0.130 38.958 39.000 0.146 0.000 0.991 570 F HN 0.100 nan 8.300 nan 0.000 0.474 571 K N -0.268 120.306 120.400 0.290 0.000 2.063 571 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 571 K C 2.106 178.715 176.600 0.015 0.000 1.048 571 K CA 1.777 58.153 56.287 0.149 0.000 0.928 571 K CB -0.344 32.240 32.500 0.140 0.000 0.713 571 K HN 0.294 nan 8.250 nan 0.000 0.442 572 Q N 1.231 121.021 119.800 -0.016 0.000 2.020 572 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 572 Q C 2.016 177.925 176.000 -0.152 0.000 0.982 572 Q CA 1.630 57.397 55.803 -0.060 0.000 0.838 572 Q CB -0.103 28.604 28.738 -0.051 0.000 0.899 572 Q HN 0.142 nan 8.270 nan 0.000 0.423 573 R N -1.426 118.888 120.500 -0.309 0.000 2.096 573 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 573 R C 0.694 176.652 176.300 -0.571 0.000 1.127 573 R CA 1.399 57.166 56.100 -0.554 0.000 0.968 573 R CB -0.021 29.718 30.300 -0.936 0.000 0.861 573 R HN 0.348 nan 8.270 nan 0.000 0.440 574 Y N 0.705 120.886 120.300 -0.198 0.000 2.607 574 Y HA 0.241 4.791 4.550 -0.000 0.000 0.266 574 Y C -0.333 175.571 175.900 0.007 0.000 1.178 574 Y CA -0.427 57.573 58.100 -0.168 0.000 1.226 574 Y CB 0.149 38.327 38.460 -0.469 0.000 1.144 574 Y HN 0.127 nan 8.280 nan 0.000 0.528 575 E N -0.632 119.625 120.200 0.094 0.000 2.440 575 E HA -0.270 4.080 4.350 -0.000 0.000 0.246 575 E C 0.710 177.462 176.600 0.253 0.000 1.165 575 E CA 0.463 56.943 56.400 0.133 0.000 0.726 575 E CB -1.315 28.441 29.700 0.094 0.000 1.271 575 E HN 0.508 nan 8.360 nan 0.000 0.397 576 A N 0.238 123.139 122.820 0.135 0.000 2.545 576 A HA 0.167 4.487 4.320 -0.000 0.000 0.277 576 A C 1.555 179.183 177.584 0.072 0.000 1.301 576 A CA -0.143 51.913 52.037 0.032 0.000 0.935 576 A CB 0.280 19.236 19.000 -0.072 0.000 1.093 576 A HN 0.146 nan 8.150 nan 0.000 0.519 577 Q N 0.583 120.435 119.800 0.086 0.000 2.152 577 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 577 Q C 0.552 176.590 176.000 0.062 0.000 0.985 577 Q CA 1.990 57.834 55.803 0.068 0.000 0.863 577 Q CB -0.063 28.706 28.738 0.052 0.000 0.904 577 Q HN 0.548 nan 8.270 nan 0.000 0.422 578 D N -0.702 119.744 120.400 0.077 0.000 2.339 578 D HA 0.079 4.719 4.640 -0.000 0.000 0.217 578 D C -0.197 176.152 176.300 0.082 0.000 1.050 578 D CA 0.117 54.162 54.000 0.074 0.000 0.856 578 D CB 0.222 41.070 40.800 0.080 0.000 0.922 578 D HN 0.229 nan 8.370 nan 0.000 0.518 579 L N 1.602 122.862 121.223 0.061 0.000 2.380 579 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 579 L C 0.462 177.363 176.870 0.051 0.000 1.138 579 L CA -0.160 54.716 54.840 0.061 0.000 0.832 579 L CB 0.792 42.845 42.059 -0.011 0.000 1.124 579 L HN -0.236 nan 8.230 nan 0.000 0.454 580 Q N 4.536 124.378 119.800 0.071 0.000 2.306 580 Q HA 0.488 4.828 4.340 -0.000 0.000 0.265 580 Q C -2.362 173.612 176.000 -0.044 0.000 1.022 580 Q CA -2.058 53.720 55.803 -0.041 0.000 0.853 580 Q CB 1.839 30.463 28.738 -0.190 0.000 1.327 580 Q HN 0.329 nan 8.270 nan 0.000 0.449 581 P HA 0.016 nan 4.420 nan 0.000 0.274 581 P C 0.749 177.988 177.300 -0.103 0.000 1.231 581 P CA -0.419 62.617 63.100 -0.107 0.000 0.790 581 P CB 0.992 32.615 31.700 -0.128 0.000 0.951 582 L N 3.249 124.457 121.223 -0.026 0.000 2.043 582 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 582 L C 2.473 179.353 176.870 0.016 0.000 1.075 582 L CA 2.831 57.706 54.840 0.060 0.000 0.752 582 L CB -1.683 40.386 42.059 0.017 0.000 0.891 582 L HN 0.518 nan 8.230 nan 0.000 0.432 583 S N -2.449 113.228 115.700 -0.037 0.000 2.407 583 S HA -0.267 4.203 4.470 -0.000 0.000 0.235 583 S C 1.881 176.424 174.600 -0.094 0.000 1.036 583 S CA 1.818 59.995 58.200 -0.037 0.000 1.013 583 S CB -1.452 61.718 63.200 -0.050 0.000 0.820 583 S HN 0.599 nan 8.310 nan 0.000 0.476 584 T N 1.217 115.632 114.554 -0.230 0.000 2.746 584 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 584 T C 1.413 175.906 174.700 -0.344 0.000 1.039 584 T CA 1.825 63.710 62.100 -0.358 0.000 1.142 584 T CB -0.529 68.000 68.868 -0.564 0.000 0.866 584 T HN 0.624 nan 8.240 nan 0.000 0.444 585 Y N 1.119 121.426 120.300 0.013 0.000 2.263 585 Y HA 0.156 4.706 4.550 -0.000 0.000 0.292 585 Y C 2.210 178.204 175.900 0.156 0.000 1.130 585 Y CA -0.003 58.146 58.100 0.081 0.000 1.179 585 Y CB -0.920 37.603 38.460 0.106 0.000 0.998 585 Y HN 0.128 nan 8.280 nan 0.000 0.532 586 L N 0.150 121.507 121.223 0.224 0.000 1.990 586 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 586 L C 2.366 179.329 176.870 0.154 0.000 1.072 586 L CA 1.783 56.752 54.840 0.214 0.000 0.755 586 L CB -0.613 41.548 42.059 0.169 0.000 0.889 586 L HN 0.160 nan 8.230 nan 0.000 0.432 587 K N -0.438 119.996 120.400 0.057 0.000 2.063 587 K HA -0.266 4.054 4.320 -0.000 0.000 0.208 587 K C 2.163 178.742 176.600 -0.034 0.000 1.048 587 K CA 1.531 57.822 56.287 0.007 0.000 0.928 587 K CB -0.217 32.261 32.500 -0.038 0.000 0.713 587 K HN 0.325 nan 8.250 nan 0.000 0.442 588 Q N 0.030 119.772 119.800 -0.096 0.000 2.112 588 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 588 Q C 0.991 176.735 176.000 -0.426 0.000 0.987 588 Q CA 1.675 57.298 55.803 -0.301 0.000 0.858 588 Q CB 0.029 28.511 28.738 -0.427 0.000 0.905 588 Q HN 0.265 nan 8.270 nan 0.000 0.420 589 F N -0.921 119.074 119.950 0.075 0.000 2.660 589 F HA 0.316 4.843 4.527 -0.000 0.000 0.302 589 F C 1.145 176.991 175.800 0.077 0.000 1.103 589 F CA 0.543 58.589 58.000 0.078 0.000 1.340 589 F CB 0.797 39.851 39.000 0.090 0.000 1.048 589 F HN 0.220 nan 8.300 nan 0.000 0.551 590 G N 0.988 109.874 108.800 0.145 0.000 2.171 590 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.238 590 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.238 590 G C -0.237 174.734 174.900 0.118 0.000 1.039 590 G CA -0.269 44.895 45.100 0.108 0.000 0.759 590 G HN 0.300 nan 8.290 nan 0.000 0.501 591 L N 0.049 121.355 121.223 0.139 0.000 2.319 591 L HA 0.697 5.037 4.340 -0.000 0.000 0.267 591 L C 0.371 177.298 176.870 0.095 0.000 1.011 591 L CA -0.912 54.006 54.840 0.130 0.000 0.818 591 L CB 1.661 43.837 42.059 0.194 0.000 1.316 591 L HN 0.421 nan 8.230 nan 0.000 0.432 592 D N -1.574 118.870 120.400 0.073 0.000 2.494 592 D HA 0.448 5.088 4.640 -0.000 0.000 0.259 592 D C -1.095 175.237 176.300 0.054 0.000 1.109 592 D CA -0.662 53.368 54.000 0.050 0.000 1.040 592 D CB 1.050 41.866 40.800 0.027 0.000 1.175 592 D HN 0.254 nan 8.370 nan 0.000 0.584 593 D N 0.000 120.420 120.400 0.033 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.017 54.000 0.029 0.000 0.868 593 D CB 0.000 40.809 40.800 0.015 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683