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 3lfu_1_A DATA FIRST_RESID 3 DATA SEQUENCE VSYLLDSLND KQREAVAAPR SNLLVLAGAG SGKTRVLVHR IAWLMSVENC DATA SEQUENCE SPYSIMAVTF TNKAAAEMRH RIGQLMGTSQ GGMWVGTFHG LAHRLLRAHH DATA SEQUENCE MDANLPQDFQ ILDSEDQLRL LKRLIKAMNL DEKQWPPRQA MWYINSQKDE DATA SEQUENCE GLRPHHIXXX XNPVEQTWQK VYQAYQEACD RAGLVDFAEL LLRAHELWLN DATA SEQUENCE KPHILQHYRE RFTNILVDEF QDTNNIQYAW IRLLAGDTGK VMIVGDDDQS DATA SEQUENCE IYGWRGAQVE NIQRFLNDFP GAETIRLEQN YRSTSNILSA ANALIENNNG DATA SEQUENCE RLGKKLWTDG ADGEPISLYC AFNELDEARF VVNRIKTWQD NGGALAECAI DATA SEQUENCE LYRSNAQSRV LEEALLQASM PYRIYGGMRF FERQEIKDAL SYLRLIANRN DATA SEQUENCE DDAAFERVVN TPTRGIGDRT LDVVRQTSRD RQLTLWQACR ELLQEKALAG DATA SEQUENCE RAASALQRFM ELIDALAQET ADMPLHVQTD RVIKDSGLRT MYEQEKGEKG DATA SEQUENCE QTRIENLEEL VTATRQFSXX XXXEDLMPLQ AFLSHAALEX GEGQADTWQD DATA SEQUENCE AVQLMTLHSA KGLEFPQVFI VGMEEGMFPS QMSLXXGGRL EEERRLAYVG DATA SEQUENCE VTRAMQKLTL TYAETRRLYG KEVYHRPSRF IGELPEECVE EVRLR 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.223 176.094 0.216 0.000 1.182 3 V CA 0.000 62.403 62.300 0.171 0.000 1.235 3 V CB 0.000 31.893 31.823 0.117 0.000 1.184 4 S N -0.207 115.627 115.700 0.223 0.000 2.355 4 S HA -0.127 4.383 4.470 0.068 0.000 0.222 4 S C 2.120 176.844 174.600 0.207 0.000 1.031 4 S CA 2.348 60.661 58.200 0.190 0.000 0.993 4 S CB -0.434 62.861 63.200 0.158 0.000 0.859 4 S HN 1.313 nan 8.310 nan 0.000 0.453 5 Y N 0.043 120.396 120.300 0.089 0.000 2.352 5 Y HA 0.121 4.712 4.550 0.068 0.000 0.292 5 Y C 1.817 177.801 175.900 0.141 0.000 1.136 5 Y CA 0.447 58.600 58.100 0.089 0.000 1.227 5 Y CB -0.388 38.105 38.460 0.054 0.000 0.991 5 Y HN 0.156 nan 8.280 nan 0.000 0.545 6 L N 0.814 121.706 121.223 -0.551 0.000 2.141 6 L HA -0.054 4.327 4.340 0.068 0.000 0.209 6 L C 1.856 178.779 176.870 0.087 0.000 1.094 6 L CA 1.334 55.995 54.840 -0.298 0.000 0.763 6 L CB -0.724 41.257 42.059 -0.130 0.000 0.908 6 L HN 0.472 nan 8.230 nan 0.000 0.437 7 L N -2.008 119.259 121.223 0.074 0.000 2.616 7 L HA 0.055 4.435 4.340 0.068 0.000 0.229 7 L C 1.669 178.549 176.870 0.015 0.000 1.110 7 L CA 0.026 54.888 54.840 0.037 0.000 0.884 7 L CB -0.032 42.056 42.059 0.048 0.000 1.115 7 L HN 0.133 nan 8.230 nan 0.000 0.481 8 D N 0.848 121.276 120.400 0.047 0.000 2.117 8 D HA -0.210 4.471 4.640 0.068 0.000 0.197 8 D C 2.162 178.462 176.300 -0.001 0.000 0.987 8 D CA 1.685 55.710 54.000 0.042 0.000 0.829 8 D CB 0.301 41.148 40.800 0.078 0.000 0.961 8 D HN 0.228 nan 8.370 nan 0.000 0.460 9 S N -0.827 114.855 115.700 -0.030 0.000 2.603 9 S HA 0.108 4.618 4.470 0.068 0.000 0.220 9 S C 0.648 175.159 174.600 -0.149 0.000 0.967 9 S CA -0.372 57.776 58.200 -0.087 0.000 0.920 9 S CB -0.406 62.738 63.200 -0.092 0.000 0.773 9 S HN 0.163 nan 8.310 nan 0.000 0.529 10 L N 2.756 123.900 121.223 -0.132 0.000 2.360 10 L HA 0.473 4.853 4.340 0.068 0.000 0.271 10 L C 0.375 177.208 176.870 -0.062 0.000 1.057 10 L CA -1.020 53.738 54.840 -0.138 0.000 0.803 10 L CB 0.614 42.583 42.059 -0.150 0.000 1.207 10 L HN 0.270 nan 8.230 nan 0.000 0.445 11 N N -0.109 118.575 118.700 -0.027 0.000 2.405 11 N HA 0.032 4.813 4.740 0.068 0.000 0.269 11 N C 0.462 175.985 175.510 0.021 0.000 1.249 11 N CA -0.473 52.601 53.050 0.040 0.000 0.974 11 N CB 0.330 38.889 38.487 0.121 0.000 1.204 11 N HN 0.655 nan 8.380 nan 0.000 0.565 12 D N -0.104 120.328 120.400 0.054 0.000 2.104 12 D HA -0.214 4.467 4.640 0.068 0.000 0.194 12 D C 0.875 177.182 176.300 0.012 0.000 0.994 12 D CA 1.559 55.579 54.000 0.033 0.000 0.830 12 D CB -0.177 40.658 40.800 0.058 0.000 0.959 12 D HN 0.417 nan 8.370 nan 0.000 0.452 13 K N 0.597 121.018 120.400 0.034 0.000 2.103 13 K HA -0.037 4.324 4.320 0.068 0.000 0.204 13 K C 2.446 179.030 176.600 -0.026 0.000 1.052 13 K CA 0.727 57.022 56.287 0.013 0.000 0.945 13 K CB -0.482 32.044 32.500 0.043 0.000 0.722 13 K HN 0.413 nan 8.250 nan 0.000 0.443 14 Q N 0.479 120.260 119.800 -0.031 0.000 2.096 14 Q HA -0.126 4.255 4.340 0.068 0.000 0.204 14 Q C 2.306 178.235 176.000 -0.120 0.000 0.982 14 Q CA 1.344 57.102 55.803 -0.075 0.000 0.850 14 Q CB -0.172 28.514 28.738 -0.088 0.000 0.901 14 Q HN 0.235 nan 8.270 nan 0.000 0.422 15 R N 1.166 121.597 120.500 -0.116 0.000 2.081 15 R HA -0.205 4.176 4.340 0.068 0.000 0.235 15 R C 2.017 178.199 176.300 -0.197 0.000 1.131 15 R CA 1.671 57.670 56.100 -0.168 0.000 0.960 15 R CB -0.107 30.122 30.300 -0.118 0.000 0.856 15 R HN 0.334 nan 8.270 nan 0.000 0.436 16 E N -0.032 120.093 120.200 -0.124 0.000 2.058 16 E HA -0.223 4.168 4.350 0.068 0.000 0.194 16 E C 1.793 178.308 176.600 -0.142 0.000 0.997 16 E CA 1.547 57.879 56.400 -0.112 0.000 0.801 16 E CB -0.162 29.504 29.700 -0.057 0.000 0.746 16 E HN 0.467 nan 8.360 nan 0.000 0.450 17 A N 0.431 123.174 122.820 -0.129 0.000 1.877 17 A HA -0.135 4.226 4.320 0.068 0.000 0.216 17 A C 2.440 179.898 177.584 -0.210 0.000 1.186 17 A CA 1.542 53.499 52.037 -0.133 0.000 0.620 17 A CB -0.721 18.222 19.000 -0.095 0.000 0.822 17 A HN 0.247 nan 8.150 nan 0.000 0.443 18 V N -0.664 119.083 119.914 -0.279 0.000 2.427 18 V HA -0.127 4.033 4.120 0.068 0.000 0.248 18 V C 2.499 178.087 176.094 -0.844 0.000 1.051 18 V CA 1.835 63.904 62.300 -0.386 0.000 1.048 18 V CB -0.659 30.970 31.823 -0.323 0.000 0.666 18 V HN 0.599 nan 8.190 nan 0.000 0.456 19 A N -0.665 121.621 122.820 -0.890 0.000 2.460 19 A HA 0.668 5.028 4.320 0.068 0.000 0.258 19 A C 1.019 178.332 177.584 -0.451 0.000 1.300 19 A CA 0.427 51.682 52.037 -1.304 0.000 0.913 19 A CB -0.340 17.994 19.000 -1.110 0.000 1.031 19 A HN 0.449 nan 8.150 nan 0.000 0.512 20 A N 1.693 124.340 122.820 -0.288 0.000 2.425 20 A HA 0.542 4.902 4.320 0.068 0.000 0.242 20 A C -1.868 175.734 177.584 0.030 0.000 1.077 20 A CA -1.020 50.965 52.037 -0.086 0.000 0.781 20 A CB -0.216 18.744 19.000 -0.067 0.000 1.020 20 A HN 0.353 nan 8.150 nan 0.000 0.494 21 P HA 0.093 nan 4.420 nan 0.000 0.271 21 P C -0.735 176.617 177.300 0.087 0.000 1.233 21 P CA -0.205 62.953 63.100 0.098 0.000 0.789 21 P CB 0.392 32.133 31.700 0.069 0.000 0.951 22 R N 1.039 121.597 120.500 0.096 0.000 2.399 22 R HA 0.290 4.670 4.340 0.068 0.000 0.324 22 R C 0.381 176.718 176.300 0.060 0.000 1.030 22 R CA 0.394 56.541 56.100 0.079 0.000 0.984 22 R CB -0.248 30.096 30.300 0.075 0.000 0.961 22 R HN 0.639 nan 8.270 nan 0.000 0.433 23 S N 1.716 117.451 115.700 0.059 0.000 2.636 23 S HA 0.309 4.819 4.470 0.068 0.000 0.268 23 S C -1.053 173.591 174.600 0.073 0.000 1.159 23 S CA -1.329 56.906 58.200 0.057 0.000 0.815 23 S CB 1.149 64.378 63.200 0.048 0.000 1.130 23 S HN 0.405 nan 8.310 nan 0.000 0.471 24 N N 0.604 119.357 118.700 0.088 0.000 2.458 24 N HA 0.570 5.350 4.740 0.068 0.000 0.270 24 N C -1.218 174.391 175.510 0.165 0.000 1.102 24 N CA -0.020 53.113 53.050 0.138 0.000 0.967 24 N CB 0.515 39.051 38.487 0.082 0.000 1.078 24 N HN 0.536 nan 8.380 nan 0.000 0.471 25 L N 2.119 123.462 121.223 0.199 0.000 2.436 25 L HA 0.383 4.764 4.340 0.068 0.000 0.268 25 L C -0.874 176.009 176.870 0.022 0.000 0.974 25 L CA -0.998 53.901 54.840 0.100 0.000 0.826 25 L CB 2.285 44.351 42.059 0.011 0.000 1.291 25 L HN 0.229 nan 8.230 nan 0.000 0.406 26 L N 4.435 125.681 121.223 0.039 0.000 2.264 26 L HA 0.510 4.891 4.340 0.068 0.000 0.289 26 L C -0.703 176.118 176.870 -0.081 0.000 1.044 26 L CA -0.082 54.684 54.840 -0.124 0.000 0.807 26 L CB 1.570 43.616 42.059 -0.022 0.000 1.192 26 L HN 0.294 nan 8.230 nan 0.000 0.425 27 V N 6.957 126.800 119.914 -0.119 0.000 2.304 27 V HA 0.238 4.399 4.120 0.068 0.000 0.269 27 V C 0.005 176.067 176.094 -0.053 0.000 1.036 27 V CA -0.490 61.769 62.300 -0.069 0.000 0.840 27 V CB 1.048 32.829 31.823 -0.070 0.000 1.036 27 V HN 0.643 nan 8.190 nan 0.000 0.466 28 L N 6.045 127.253 121.223 -0.024 0.000 2.356 28 L HA 0.561 4.942 4.340 0.068 0.000 0.282 28 L C 0.782 177.654 176.870 0.002 0.000 1.132 28 L CA 0.207 55.044 54.840 -0.005 0.000 0.923 28 L CB 0.339 42.404 42.059 0.010 0.000 1.278 28 L HN 0.661 nan 8.230 nan 0.000 0.436 29 A N 4.360 127.179 122.820 -0.001 0.000 2.316 29 A HA 0.625 4.985 4.320 0.068 0.000 0.311 29 A C 0.815 178.404 177.584 0.010 0.000 1.339 29 A CA -0.001 52.035 52.037 -0.002 0.000 0.960 29 A CB -0.245 18.749 19.000 -0.009 0.000 1.152 29 A HN 0.767 nan 8.150 nan 0.000 0.547 30 G N 1.477 110.282 108.800 0.008 0.000 2.690 30 G HA2 0.499 4.500 3.960 0.068 0.000 0.239 30 G HA3 0.499 4.500 3.960 0.068 0.000 0.239 30 G C 0.661 175.555 174.900 -0.010 0.000 1.233 30 G CA 0.097 45.208 45.100 0.017 0.000 0.847 30 G HN 1.599 nan 8.290 nan 0.000 0.588 31 A N -0.494 122.313 122.820 -0.021 0.000 2.565 31 A HA 0.492 4.853 4.320 0.068 0.000 0.237 31 A C 1.750 179.286 177.584 -0.081 0.000 1.053 31 A CA 1.269 53.263 52.037 -0.072 0.000 0.755 31 A CB -0.493 18.414 19.000 -0.154 0.000 0.980 31 A HN 2.681 nan 8.150 nan 0.000 0.506 32 G N 1.149 109.912 108.800 -0.062 0.000 2.203 32 G HA2 -0.230 3.771 3.960 0.068 0.000 0.263 32 G HA3 -0.230 3.771 3.960 0.068 0.000 0.263 32 G C 0.775 175.673 174.900 -0.005 0.000 1.012 32 G CA 1.248 46.321 45.100 -0.044 0.000 0.749 32 G HN 2.202 nan 8.290 nan 0.000 0.512 33 S N -1.143 114.551 115.700 -0.010 0.000 2.554 33 S HA 0.481 4.992 4.470 0.068 0.000 0.226 33 S C 1.674 176.305 174.600 0.051 0.000 0.980 33 S CA 0.841 59.047 58.200 0.010 0.000 0.939 33 S CB 0.665 63.838 63.200 -0.045 0.000 0.832 33 S HN 2.249 nan 8.310 nan 0.000 0.486 34 G N 2.982 111.796 108.800 0.024 0.000 2.203 34 G HA2 -0.297 3.703 3.960 0.068 0.000 0.231 34 G HA3 -0.297 3.703 3.960 0.068 0.000 0.231 34 G C 0.571 175.455 174.900 -0.027 0.000 1.058 34 G CA 0.278 45.367 45.100 -0.018 0.000 0.781 34 G HN 0.722 nan 8.290 nan 0.000 0.496 35 K N -1.248 119.144 120.400 -0.014 0.000 2.148 35 K HA -0.038 4.322 4.320 0.068 0.000 0.204 35 K C 2.023 178.621 176.600 -0.003 0.000 1.050 35 K CA 1.803 58.083 56.287 -0.012 0.000 0.942 35 K CB -0.343 32.153 32.500 -0.007 0.000 0.724 35 K HN 0.228 nan 8.250 nan 0.000 0.446 36 T N 1.190 115.746 114.554 0.005 0.000 2.812 36 T HA -0.087 4.304 4.350 0.068 0.000 0.264 36 T C 1.830 176.552 174.700 0.037 0.000 1.042 36 T CA 1.222 63.337 62.100 0.024 0.000 1.140 36 T CB -0.175 68.710 68.868 0.030 0.000 0.870 36 T HN 0.367 nan 8.240 nan 0.000 0.445 37 R N 0.794 121.301 120.500 0.011 0.000 2.103 37 R HA -0.123 4.257 4.340 0.068 0.000 0.242 37 R C 2.250 178.557 176.300 0.012 0.000 1.142 37 R CA 1.408 57.511 56.100 0.005 0.000 0.960 37 R CB -0.630 29.588 30.300 -0.137 0.000 0.858 37 R HN 0.228 nan 8.270 nan 0.000 0.439 38 V N 1.252 121.147 119.914 -0.032 0.000 2.295 38 V HA -0.268 3.892 4.120 0.068 0.000 0.246 38 V C 2.387 178.495 176.094 0.024 0.000 1.049 38 V CA 1.870 64.155 62.300 -0.025 0.000 1.024 38 V CB -0.413 31.382 31.823 -0.047 0.000 0.648 38 V HN 0.346 nan 8.190 nan 0.000 0.447 39 L N -0.635 120.605 121.223 0.028 0.000 2.046 39 L HA -0.151 4.230 4.340 0.068 0.000 0.208 39 L C 2.461 179.368 176.870 0.062 0.000 1.077 39 L CA 1.143 56.004 54.840 0.034 0.000 0.747 39 L CB -0.606 41.471 42.059 0.029 0.000 0.896 39 L HN 0.183 nan 8.230 nan 0.000 0.432 40 V N -0.886 119.084 119.914 0.092 0.000 2.295 40 V HA -0.309 3.852 4.120 0.068 0.000 0.246 40 V C 2.393 178.523 176.094 0.060 0.000 1.049 40 V CA 1.741 64.091 62.300 0.084 0.000 1.024 40 V CB -0.706 31.183 31.823 0.111 0.000 0.648 40 V HN 0.484 nan 8.190 nan 0.000 0.447 41 H N -0.417 118.649 119.070 -0.006 0.000 2.436 41 H HA -0.083 4.513 4.556 0.068 0.000 0.294 41 H C 2.532 177.881 175.328 0.034 0.000 1.048 41 H CA 1.541 57.585 56.048 -0.007 0.000 1.353 41 H CB 0.217 29.950 29.762 -0.049 0.000 1.414 41 H HN 0.297 nan 8.280 nan 0.000 0.536 42 R N 1.548 122.118 120.500 0.117 0.000 2.091 42 R HA -0.104 4.276 4.340 0.068 0.000 0.238 42 R C 2.167 178.552 176.300 0.142 0.000 1.136 42 R CA 1.275 57.426 56.100 0.084 0.000 0.959 42 R CB -0.562 29.749 30.300 0.019 0.000 0.856 42 R HN 0.216 nan 8.270 nan 0.000 0.437 43 I N 0.732 121.361 120.570 0.099 0.000 2.226 43 I HA -0.228 3.982 4.170 0.068 0.000 0.245 43 I C 2.496 178.669 176.117 0.093 0.000 1.100 43 I CA 1.323 62.677 61.300 0.090 0.000 1.374 43 I CB -0.464 37.574 38.000 0.063 0.000 1.057 43 I HN 0.400 nan 8.210 nan 0.000 0.413 44 A N 0.610 123.471 122.820 0.068 0.000 1.902 44 A HA -0.252 4.109 4.320 0.068 0.000 0.217 44 A C 2.269 179.915 177.584 0.103 0.000 1.181 44 A CA 1.207 53.270 52.037 0.043 0.000 0.623 44 A CB -1.071 17.890 19.000 -0.066 0.000 0.818 44 A HN 0.707 nan 8.150 nan 0.000 0.443 45 W N 0.782 122.053 121.300 -0.047 0.000 2.335 45 W HA -0.189 4.512 4.660 0.068 0.000 0.311 45 W C 1.734 178.253 176.519 -0.001 0.000 1.213 45 W CA 1.807 59.136 57.345 -0.026 0.000 1.274 45 W CB -0.490 28.961 29.460 -0.016 0.000 1.148 45 W HN 0.322 nan 8.180 nan 0.000 0.498 46 L N 0.238 121.617 121.223 0.260 0.000 2.043 46 L HA -0.334 4.046 4.340 0.068 0.000 0.212 46 L C 2.753 179.642 176.870 0.032 0.000 1.075 46 L CA 1.854 56.778 54.840 0.140 0.000 0.752 46 L CB -0.786 41.356 42.059 0.140 0.000 0.891 46 L HN 0.003 nan 8.230 nan 0.000 0.432 47 M N -1.620 118.000 119.600 0.032 0.000 2.193 47 M HA -0.129 4.391 4.480 0.068 0.000 0.265 47 M C 2.415 178.691 176.300 -0.039 0.000 1.071 47 M CA 1.447 56.754 55.300 0.011 0.000 1.140 47 M CB -0.117 32.504 32.600 0.035 0.000 1.369 47 M HN 0.145 nan 8.290 nan 0.000 0.423 48 S N -0.224 115.432 115.700 -0.074 0.000 2.371 48 S HA -0.025 4.485 4.470 0.068 0.000 0.221 48 S C 1.882 176.347 174.600 -0.225 0.000 1.036 48 S CA 0.879 59.017 58.200 -0.105 0.000 0.965 48 S CB 0.031 63.191 63.200 -0.067 0.000 0.845 48 S HN 0.205 nan 8.310 nan 0.000 0.475 49 V N 1.405 121.057 119.914 -0.438 0.000 2.672 49 V HA 0.123 4.284 4.120 0.068 0.000 0.242 49 V C 2.062 177.923 176.094 -0.389 0.000 1.059 49 V CA 0.890 62.816 62.300 -0.624 0.000 1.081 49 V CB -0.258 30.665 31.823 -1.501 0.000 0.752 49 V HN 0.283 nan 8.190 nan 0.000 0.472 50 E N 0.129 120.151 120.200 -0.297 0.000 2.442 50 E HA 0.008 4.399 4.350 0.068 0.000 0.195 50 E C 0.240 176.797 176.600 -0.071 0.000 1.030 50 E CA 0.031 56.362 56.400 -0.116 0.000 0.869 50 E CB -0.073 29.621 29.700 -0.011 0.000 0.857 50 E HN 0.566 nan 8.360 nan 0.000 0.505 51 N N -0.019 118.631 118.700 -0.082 0.000 2.741 51 N HA -0.162 4.618 4.740 0.068 0.000 0.250 51 N C -0.473 175.026 175.510 -0.017 0.000 1.115 51 N CA 0.643 53.665 53.050 -0.047 0.000 0.724 51 N CB -2.445 36.014 38.487 -0.047 0.000 1.090 51 N HN 0.149 nan 8.380 nan 0.000 0.558 52 C N 0.997 120.296 119.300 -0.002 0.000 2.644 52 C HA 0.306 4.807 4.460 0.068 0.000 0.417 52 C C 1.726 176.739 174.990 0.039 0.000 1.304 52 C CA -0.474 58.556 59.018 0.020 0.000 2.035 52 C CB 0.909 28.673 27.740 0.040 0.000 2.673 52 C HN 0.471 nan 8.230 nan 0.000 0.602 53 S N 3.779 119.509 115.700 0.050 0.000 2.568 53 S HA 0.115 4.626 4.470 0.068 0.000 0.282 53 S C -0.743 173.936 174.600 0.132 0.000 1.338 53 S CA -0.800 57.461 58.200 0.102 0.000 1.045 53 S CB 0.654 63.923 63.200 0.116 0.000 0.873 53 S HN 0.675 nan 8.310 nan 0.000 0.516 54 P HA -0.149 nan 4.420 nan 0.000 0.216 54 P C 0.751 178.110 177.300 0.098 0.000 1.150 54 P CA 1.511 64.674 63.100 0.106 0.000 0.843 54 P CB -0.202 31.535 31.700 0.061 0.000 0.787 55 Y N 1.252 121.583 120.300 0.052 0.000 2.365 55 Y HA -0.152 4.439 4.550 0.068 0.000 0.287 55 Y C 2.581 178.409 175.900 -0.119 0.000 1.162 55 Y CA 1.830 59.921 58.100 -0.014 0.000 1.260 55 Y CB -1.126 37.282 38.460 -0.087 0.000 0.976 55 Y HN 0.152 nan 8.280 nan 0.000 0.548 56 S N -1.140 114.619 115.700 0.098 0.000 2.575 56 S HA 0.203 4.713 4.470 0.068 0.000 0.215 56 S C 0.240 174.989 174.600 0.249 0.000 0.966 56 S CA -0.252 57.976 58.200 0.047 0.000 0.911 56 S CB -0.529 62.688 63.200 0.029 0.000 0.780 56 S HN 0.222 nan 8.310 nan 0.000 0.514 57 I N 2.189 122.951 120.570 0.320 0.000 2.362 57 I HA 0.455 4.666 4.170 0.068 0.000 0.289 57 I C -0.440 175.819 176.117 0.237 0.000 0.994 57 I CA -0.463 60.987 61.300 0.251 0.000 1.158 57 I CB 1.871 39.964 38.000 0.154 0.000 1.315 57 I HN 0.242 nan 8.210 nan 0.000 0.451 58 M N 6.676 126.300 119.600 0.039 0.000 2.190 58 M HA 0.718 5.239 4.480 0.068 0.000 0.312 58 M C -1.329 174.948 176.300 -0.039 0.000 0.990 58 M CA -0.430 54.770 55.300 -0.166 0.000 0.927 58 M CB 1.485 33.755 32.600 -0.551 0.000 1.571 58 M HN 0.655 nan 8.290 nan 0.000 0.427 59 A N 5.205 128.029 122.820 0.006 0.000 2.304 59 A HA 0.720 5.081 4.320 0.068 0.000 0.314 59 A C -1.272 176.296 177.584 -0.025 0.000 1.187 59 A CA -0.609 51.430 52.037 0.002 0.000 0.810 59 A CB 1.083 20.099 19.000 0.027 0.000 1.183 59 A HN 0.631 nan 8.150 nan 0.000 0.487 60 V N 2.954 122.827 119.914 -0.069 0.000 2.384 60 V HA 0.658 4.818 4.120 0.068 0.000 0.287 60 V C 0.493 176.521 176.094 -0.109 0.000 1.020 60 V CA -0.175 62.013 62.300 -0.186 0.000 0.850 60 V CB 1.349 32.897 31.823 -0.459 0.000 0.987 60 V HN 1.064 nan 8.190 nan 0.000 0.436 61 T N 0.573 115.087 114.554 -0.067 0.000 2.940 61 T HA 0.531 4.922 4.350 0.068 0.000 0.288 61 T C 0.445 175.229 174.700 0.139 0.000 1.045 61 T CA -0.461 61.677 62.100 0.063 0.000 1.018 61 T CB 1.657 70.559 68.868 0.056 0.000 1.151 61 T HN 0.272 nan 8.240 nan 0.000 0.529 62 F N 1.570 121.555 119.950 0.058 0.000 2.367 62 F HA 0.203 4.770 4.527 0.067 0.000 0.298 62 F C 1.106 176.925 175.800 0.031 0.000 1.094 62 F CA 1.099 59.145 58.000 0.076 0.000 1.409 62 F CB -0.127 38.916 39.000 0.070 0.000 1.064 62 F HN 0.981 nan 8.300 nan 0.000 0.528 63 T N -3.487 111.063 114.554 -0.007 0.000 2.841 63 T HA 0.267 4.658 4.350 0.068 0.000 0.296 63 T C 0.468 175.141 174.700 -0.047 0.000 1.166 63 T CA -0.826 61.217 62.100 -0.095 0.000 1.007 63 T CB 1.193 70.056 68.868 -0.008 0.000 1.253 63 T HN -0.120 nan 8.240 nan 0.000 0.511 64 N N 0.341 118.997 118.700 -0.074 0.000 2.188 64 N HA -0.061 4.720 4.740 0.068 0.000 0.184 64 N C 1.616 177.112 175.510 -0.022 0.000 1.018 64 N CA 1.068 54.085 53.050 -0.056 0.000 0.858 64 N CB -0.227 38.216 38.487 -0.074 0.000 0.989 64 N HN 0.707 nan 8.380 nan 0.000 0.426 65 K N 1.041 121.437 120.400 -0.007 0.000 2.097 65 K HA 0.021 4.381 4.320 0.068 0.000 0.205 65 K C 1.927 178.544 176.600 0.028 0.000 1.050 65 K CA 1.083 57.377 56.287 0.012 0.000 0.938 65 K CB -0.024 32.492 32.500 0.028 0.000 0.718 65 K HN 0.064 nan 8.250 nan 0.000 0.442 66 A N 0.997 123.845 122.820 0.048 0.000 1.933 66 A HA -0.089 4.271 4.320 0.068 0.000 0.218 66 A C 2.311 179.922 177.584 0.046 0.000 1.175 66 A CA 1.784 53.859 52.037 0.063 0.000 0.628 66 A CB -0.772 18.291 19.000 0.105 0.000 0.814 66 A HN 0.474 nan 8.150 nan 0.000 0.444 67 A N -0.155 122.681 122.820 0.026 0.000 1.930 67 A HA 0.192 4.552 4.320 0.068 0.000 0.217 67 A C 2.489 180.086 177.584 0.022 0.000 1.175 67 A CA 1.944 53.990 52.037 0.015 0.000 0.627 67 A CB -0.961 18.033 19.000 -0.010 0.000 0.815 67 A HN 1.030 nan 8.150 nan 0.000 0.443 68 A N -0.240 122.590 122.820 0.016 0.000 1.902 68 A HA -0.202 4.159 4.320 0.068 0.000 0.217 68 A C 2.044 179.660 177.584 0.054 0.000 1.181 68 A CA 1.837 53.888 52.037 0.023 0.000 0.623 68 A CB -0.544 18.457 19.000 0.002 0.000 0.818 68 A HN 0.688 nan 8.150 nan 0.000 0.443 69 E N -0.771 119.457 120.200 0.047 0.000 2.077 69 E HA -0.196 4.195 4.350 0.068 0.000 0.193 69 E C 2.051 178.711 176.600 0.100 0.000 0.989 69 E CA 1.281 57.723 56.400 0.071 0.000 0.800 69 E CB -0.203 29.526 29.700 0.048 0.000 0.746 69 E HN 0.641 nan 8.360 nan 0.000 0.452 70 M N 0.047 119.690 119.600 0.071 0.000 2.086 70 M HA -0.165 4.356 4.480 0.068 0.000 0.261 70 M C 2.414 178.751 176.300 0.062 0.000 1.067 70 M CA 1.557 56.894 55.300 0.063 0.000 1.116 70 M CB -0.093 32.536 32.600 0.049 0.000 1.348 70 M HN 0.051 nan 8.290 nan 0.000 0.407 71 R N -1.184 119.354 120.500 0.063 0.000 2.091 71 R HA -0.198 4.182 4.340 0.068 0.000 0.238 71 R C 2.335 178.673 176.300 0.063 0.000 1.136 71 R CA 1.443 57.576 56.100 0.054 0.000 0.959 71 R CB -0.740 29.590 30.300 0.049 0.000 0.856 71 R HN 0.540 nan 8.270 nan 0.000 0.437 72 H N 0.920 119.995 119.070 0.008 0.000 2.395 72 H HA 0.018 4.615 4.556 0.068 0.000 0.299 72 H C 1.822 177.156 175.328 0.011 0.000 1.070 72 H CA 1.338 57.391 56.048 0.007 0.000 1.356 72 H CB 0.322 30.088 29.762 0.005 0.000 1.401 72 H HN 0.099 nan 8.280 nan 0.000 0.524 73 R N -0.200 120.322 120.500 0.037 0.000 2.119 73 R HA 0.021 4.402 4.340 0.068 0.000 0.222 73 R C 2.631 178.904 176.300 -0.044 0.000 1.088 73 R CA 0.802 56.899 56.100 -0.006 0.000 0.984 73 R CB 0.115 30.461 30.300 0.075 0.000 0.884 73 R HN 0.281 nan 8.270 nan 0.000 0.447 74 I N 0.132 120.688 120.570 -0.022 0.000 2.226 74 I HA -0.206 4.004 4.170 0.068 0.000 0.245 74 I C 2.450 178.537 176.117 -0.050 0.000 1.100 74 I CA 1.609 62.891 61.300 -0.029 0.000 1.374 74 I CB -0.445 37.555 38.000 0.000 0.000 1.057 74 I HN 0.301 nan 8.210 nan 0.000 0.413 75 G N -0.489 108.267 108.800 -0.073 0.000 2.408 75 G HA2 -0.221 3.780 3.960 0.068 0.000 0.217 75 G HA3 -0.221 3.780 3.960 0.068 0.000 0.217 75 G C 1.533 176.363 174.900 -0.115 0.000 1.150 75 G CA 0.244 45.292 45.100 -0.087 0.000 0.776 75 G HN 0.386 nan 8.290 nan 0.000 0.542 76 Q N -0.666 119.028 119.800 -0.177 0.000 2.152 76 Q HA -0.091 4.290 4.340 0.068 0.000 0.206 76 Q C 2.424 178.393 176.000 -0.053 0.000 0.985 76 Q CA 1.071 56.794 55.803 -0.134 0.000 0.863 76 Q CB -0.155 28.497 28.738 -0.142 0.000 0.904 76 Q HN 0.407 nan 8.270 nan 0.000 0.422 77 L N -1.397 119.800 121.223 -0.043 0.000 2.202 77 L HA 0.014 4.395 4.340 0.068 0.000 0.205 77 L C 1.765 178.662 176.870 0.045 0.000 1.083 77 L CA 1.316 56.163 54.840 0.013 0.000 0.790 77 L CB 0.237 42.258 42.059 -0.064 0.000 0.942 77 L HN 0.176 nan 8.230 nan 0.000 0.452 78 M N -1.729 117.875 119.600 0.007 0.000 2.268 78 M HA 0.389 4.910 4.480 0.068 0.000 0.355 78 M C 0.204 176.505 176.300 0.001 0.000 0.938 78 M CA 0.101 55.412 55.300 0.018 0.000 1.025 78 M CB 1.198 33.816 32.600 0.029 0.000 1.773 78 M HN 0.150 nan 8.290 nan 0.000 0.613 79 G N 1.261 110.051 108.800 -0.017 0.000 2.721 79 G HA2 -0.205 3.796 3.960 0.068 0.000 0.686 79 G HA3 -0.205 3.796 3.960 0.068 0.000 0.686 79 G C 0.259 175.151 174.900 -0.014 0.000 1.236 79 G CA -0.090 44.999 45.100 -0.018 0.000 0.786 79 G HN 0.371 nan 8.290 nan 0.000 0.616 80 T N -1.952 112.593 114.554 -0.015 0.000 3.148 80 T HA 0.378 4.769 4.350 0.068 0.000 0.253 80 T C 1.496 176.198 174.700 0.004 0.000 1.134 80 T CA 1.165 63.261 62.100 -0.007 0.000 1.051 80 T CB 0.383 69.249 68.868 -0.004 0.000 0.959 80 T HN 1.348 nan 8.240 nan 0.000 0.525 81 S N 2.157 117.861 115.700 0.006 0.000 3.919 81 S HA 0.183 4.694 4.470 0.068 0.000 0.245 81 S C 0.280 174.891 174.600 0.018 0.000 1.344 81 S CA -0.578 57.631 58.200 0.014 0.000 0.896 81 S CB -0.338 62.873 63.200 0.018 0.000 1.557 81 S HN 0.292 nan 8.310 nan 0.000 0.468 82 Q N 2.385 122.191 119.800 0.011 0.000 2.263 82 Q HA 0.254 4.634 4.340 0.068 0.000 0.337 82 Q C 0.641 176.619 176.000 -0.036 0.000 0.906 82 Q CA -0.264 55.542 55.803 0.005 0.000 1.124 82 Q CB 0.634 29.381 28.738 0.015 0.000 1.255 82 Q HN 0.747 nan 8.270 nan 0.000 0.435 83 G N -0.266 108.512 108.800 -0.037 0.000 2.187 83 G HA2 0.203 4.204 3.960 0.068 0.000 0.239 83 G HA3 0.203 4.204 3.960 0.068 0.000 0.239 83 G C 1.000 175.620 174.900 -0.466 0.000 1.200 83 G CA 0.845 45.879 45.100 -0.111 0.000 0.888 83 G HN 0.511 nan 8.290 nan 0.000 0.482 84 G N 2.032 110.494 108.800 -0.563 0.000 2.349 84 G HA2 -0.249 3.752 3.960 0.068 0.000 0.213 84 G HA3 -0.249 3.752 3.960 0.068 0.000 0.213 84 G C 0.661 175.478 174.900 -0.138 0.000 1.044 84 G CA 0.310 44.758 45.100 -1.087 0.000 0.633 84 G HN 0.969 nan 8.290 nan 0.000 0.506 85 M N 1.168 120.774 119.600 0.009 0.000 2.200 85 M HA 0.531 5.052 4.480 0.068 0.000 0.355 85 M C -0.777 175.760 176.300 0.396 0.000 1.283 85 M CA -0.552 54.871 55.300 0.206 0.000 1.124 85 M CB 0.278 32.946 32.600 0.113 0.000 1.625 85 M HN 0.221 nan 8.290 nan 0.000 0.463 86 W N 5.241 126.596 121.300 0.091 0.000 2.314 86 W HA 0.525 5.225 4.660 0.068 0.000 0.310 86 W C -1.242 175.250 176.519 -0.045 0.000 1.075 86 W CA -0.647 56.701 57.345 0.006 0.000 1.253 86 W CB 1.044 30.430 29.460 -0.123 0.000 1.238 86 W HN 0.267 nan 8.180 nan 0.000 0.440 87 V N 4.155 124.134 119.914 0.108 0.000 2.577 87 V HA 0.969 5.130 4.120 0.068 0.000 0.303 87 V C 0.212 176.297 176.094 -0.015 0.000 1.042 87 V CA -0.679 61.648 62.300 0.044 0.000 0.872 87 V CB 1.207 33.053 31.823 0.038 0.000 0.998 87 V HN 0.649 nan 8.190 nan 0.000 0.423 88 G N 2.556 111.336 108.800 -0.033 0.000 2.430 88 G HA2 0.587 4.587 3.960 0.068 0.000 0.300 88 G HA3 0.587 4.587 3.960 0.068 0.000 0.300 88 G C -0.572 174.275 174.900 -0.090 0.000 1.330 88 G CA 0.105 45.164 45.100 -0.068 0.000 0.813 88 G HN 0.803 nan 8.290 nan 0.000 0.487 89 T N -1.800 112.699 114.554 -0.092 0.000 2.847 89 T HA 0.505 4.896 4.350 0.068 0.000 0.279 89 T C 1.116 175.729 174.700 -0.145 0.000 0.984 89 T CA -0.244 61.801 62.100 -0.091 0.000 0.988 89 T CB 0.970 69.811 68.868 -0.046 0.000 1.040 89 T HN 0.277 nan 8.240 nan 0.000 0.528 90 F N 0.794 120.662 119.950 -0.137 0.000 2.087 90 F HA -0.112 4.456 4.527 0.067 0.000 0.299 90 F C 2.578 178.102 175.800 -0.459 0.000 1.100 90 F CA 2.146 59.945 58.000 -0.335 0.000 1.226 90 F CB -0.917 37.827 39.000 -0.426 0.000 0.983 90 F HN 0.737 nan 8.300 nan 0.000 0.479 91 H N -1.566 117.444 119.070 -0.100 0.000 2.389 91 H HA 0.003 4.600 4.556 0.068 0.000 0.299 91 H C 2.474 177.734 175.328 -0.114 0.000 1.081 91 H CA 1.158 57.110 56.048 -0.160 0.000 1.345 91 H CB -0.857 28.758 29.762 -0.244 0.000 1.393 91 H HN 0.277 nan 8.280 nan 0.000 0.520 92 G N 0.236 109.034 108.800 -0.004 0.000 2.403 92 G HA2 -0.141 3.860 3.960 0.068 0.000 0.216 92 G HA3 -0.141 3.860 3.960 0.068 0.000 0.216 92 G C 1.533 176.384 174.900 -0.080 0.000 1.154 92 G CA 0.531 45.615 45.100 -0.025 0.000 0.784 92 G HN 0.267 nan 8.290 nan 0.000 0.538 93 L N 0.458 121.617 121.223 -0.106 0.000 2.131 93 L HA 0.086 4.467 4.340 0.068 0.000 0.206 93 L C 3.372 180.238 176.870 -0.006 0.000 1.087 93 L CA 0.745 55.543 54.840 -0.071 0.000 0.767 93 L CB -0.416 41.714 42.059 0.118 0.000 0.917 93 L HN 0.279 nan 8.230 nan 0.000 0.441 94 A N -0.521 122.191 122.820 -0.179 0.000 1.908 94 A HA -0.307 4.053 4.320 0.068 0.000 0.218 94 A C 2.177 179.786 177.584 0.042 0.000 1.181 94 A CA 1.941 53.859 52.037 -0.199 0.000 0.627 94 A CB -1.060 17.690 19.000 -0.416 0.000 0.818 94 A HN 0.522 nan 8.150 nan 0.000 0.445 95 H N -1.035 118.016 119.070 -0.032 0.000 2.319 95 H HA -0.147 4.450 4.556 0.068 0.000 0.299 95 H C 2.454 177.819 175.328 0.061 0.000 1.092 95 H CA 1.460 57.550 56.048 0.070 0.000 1.302 95 H CB -0.001 29.784 29.762 0.039 0.000 1.373 95 H HN 0.482 nan 8.280 nan 0.000 0.497 96 R N 0.239 120.712 120.500 -0.045 0.000 2.081 96 R HA -0.142 4.238 4.340 0.068 0.000 0.235 96 R C 2.428 178.760 176.300 0.055 0.000 1.131 96 R CA 1.391 57.366 56.100 -0.208 0.000 0.960 96 R CB -0.219 29.713 30.300 -0.614 0.000 0.856 96 R HN 0.318 nan 8.270 nan 0.000 0.436 97 L N 0.932 122.276 121.223 0.202 0.000 2.046 97 L HA -0.129 4.251 4.340 0.068 0.000 0.208 97 L C 1.982 179.060 176.870 0.345 0.000 1.077 97 L CA 1.640 56.700 54.840 0.367 0.000 0.747 97 L CB -0.247 41.945 42.059 0.223 0.000 0.896 97 L HN 0.241 nan 8.230 nan 0.000 0.432 98 L N -1.233 120.158 121.223 0.281 0.000 2.156 98 L HA -0.138 4.242 4.340 0.068 0.000 0.208 98 L C 2.718 179.869 176.870 0.468 0.000 1.095 98 L CA 0.854 55.877 54.840 0.304 0.000 0.770 98 L CB -0.514 41.675 42.059 0.216 0.000 0.914 98 L HN 0.209 nan 8.230 nan 0.000 0.439 99 R N 0.254 121.031 120.500 0.462 0.000 2.083 99 R HA -0.173 4.208 4.340 0.068 0.000 0.237 99 R C 2.328 178.774 176.300 0.243 0.000 1.137 99 R CA 1.546 57.842 56.100 0.328 0.000 0.951 99 R CB -0.528 29.786 30.300 0.024 0.000 0.851 99 R HN 0.347 nan 8.270 nan 0.000 0.434 100 A N 0.412 123.313 122.820 0.136 0.000 2.121 100 A HA -0.103 4.257 4.320 0.068 0.000 0.218 100 A C 0.618 177.920 177.584 -0.469 0.000 1.154 100 A CA 1.008 52.970 52.037 -0.126 0.000 0.679 100 A CB -0.058 18.881 19.000 -0.102 0.000 0.795 100 A HN 0.361 nan 8.150 nan 0.000 0.458 101 H N -1.449 117.773 119.070 0.254 0.000 2.767 101 H HA 0.089 4.685 4.556 0.067 0.000 0.235 101 H C 0.927 176.321 175.328 0.110 0.000 1.256 101 H CA 0.215 56.355 56.048 0.153 0.000 0.957 101 H CB -0.444 29.413 29.762 0.158 0.000 2.117 101 H HN 0.837 nan 8.280 nan 0.000 0.602 102 H N -0.271 118.909 119.070 0.184 0.000 2.353 102 H HA -0.071 4.526 4.556 0.068 0.000 0.300 102 H C 1.394 176.775 175.328 0.089 0.000 1.090 102 H CA 0.722 56.858 56.048 0.148 0.000 1.327 102 H CB 0.221 30.143 29.762 0.266 0.000 1.383 102 H HN 0.105 nan 8.280 nan 0.000 0.508 103 M N 1.372 120.730 119.600 -0.404 0.000 2.117 103 M HA -0.117 4.403 4.480 0.068 0.000 0.262 103 M C 1.480 177.764 176.300 -0.027 0.000 1.065 103 M CA 1.029 56.220 55.300 -0.181 0.000 1.114 103 M CB -0.695 31.772 32.600 -0.222 0.000 1.361 103 M HN 0.262 nan 8.290 nan 0.000 0.408 104 D N 0.187 120.598 120.400 0.018 0.000 2.312 104 D HA 0.033 4.714 4.640 0.068 0.000 0.211 104 D C 1.373 177.704 176.300 0.052 0.000 0.964 104 D CA 0.813 54.853 54.000 0.067 0.000 0.877 104 D CB 0.148 41.019 40.800 0.118 0.000 0.924 104 D HN 0.314 nan 8.370 nan 0.000 0.515 105 A N 0.405 123.250 122.820 0.041 0.000 2.379 105 A HA 0.040 4.400 4.320 0.068 0.000 0.236 105 A C 0.467 178.035 177.584 -0.027 0.000 1.272 105 A CA -0.222 51.815 52.037 -0.000 0.000 0.886 105 A CB -0.196 18.787 19.000 -0.028 0.000 0.962 105 A HN 0.066 nan 8.150 nan 0.000 0.504 106 N N -0.593 118.106 118.700 -0.001 0.000 2.727 106 N HA -0.148 4.633 4.740 0.068 0.000 0.249 106 N C -0.657 174.843 175.510 -0.016 0.000 1.048 106 N CA 0.998 54.048 53.050 -0.000 0.000 0.714 106 N CB -1.163 37.322 38.487 -0.004 0.000 0.959 106 N HN 0.551 nan 8.380 nan 0.000 0.544 107 L N 0.183 121.406 121.223 -0.000 0.000 2.333 107 L HA 0.622 5.002 4.340 0.068 0.000 0.269 107 L C -1.897 175.096 176.870 0.205 0.000 1.010 107 L CA -1.698 53.131 54.840 -0.019 0.000 0.818 107 L CB 2.126 43.995 42.059 -0.317 0.000 1.306 107 L HN -0.132 nan 8.230 nan 0.000 0.430 108 P HA 0.103 nan 4.420 nan 0.000 0.278 108 P C -0.278 177.067 177.300 0.077 0.000 1.258 108 P CA -0.503 62.718 63.100 0.202 0.000 0.811 108 P CB 1.181 32.951 31.700 0.118 0.000 1.063 109 Q N 0.194 119.900 119.800 -0.156 0.000 2.045 109 Q HA -0.175 4.206 4.340 0.068 0.000 0.206 109 Q C 0.124 175.969 176.000 -0.258 0.000 0.991 109 Q CA 1.664 57.144 55.803 -0.539 0.000 0.851 109 Q CB -0.097 28.507 28.738 -0.224 0.000 0.911 109 Q HN 0.433 nan 8.270 nan 0.000 0.418 110 D N 0.643 120.981 120.400 -0.103 0.000 3.133 110 D HA 0.116 4.797 4.640 0.068 0.000 0.288 110 D C -0.565 175.669 176.300 -0.110 0.000 1.346 110 D CA -0.242 53.673 54.000 -0.140 0.000 0.934 110 D CB -0.332 40.400 40.800 -0.114 0.000 1.042 110 D HN 0.151 nan 8.370 nan 0.000 0.506 111 F N 0.136 120.051 119.950 -0.058 0.000 2.490 111 F HA 0.323 4.890 4.527 0.067 0.000 0.336 111 F C 0.315 176.112 175.800 -0.006 0.000 1.178 111 F CA -0.466 57.518 58.000 -0.026 0.000 1.301 111 F CB 0.557 39.551 39.000 -0.010 0.000 1.175 111 F HN -0.169 nan 8.300 nan 0.000 0.593 112 Q N 1.868 121.766 119.800 0.163 0.000 2.387 112 Q HA 0.519 4.899 4.340 0.068 0.000 0.273 112 Q C -1.075 174.963 176.000 0.063 0.000 1.089 112 Q CA -1.210 54.609 55.803 0.026 0.000 0.824 112 Q CB 2.740 31.476 28.738 -0.003 0.000 1.367 112 Q HN 0.495 nan 8.270 nan 0.000 0.443 113 I N 2.155 122.710 120.570 -0.025 0.000 2.385 113 I HA 0.284 4.494 4.170 0.068 0.000 0.294 113 I C -0.255 175.802 176.117 -0.101 0.000 0.988 113 I CA -0.412 60.853 61.300 -0.058 0.000 1.265 113 I CB 0.756 38.719 38.000 -0.062 0.000 1.388 113 I HN 0.476 nan 8.210 nan 0.000 0.480 114 L N 5.909 127.018 121.223 -0.190 0.000 2.262 114 L HA 0.238 4.619 4.340 0.068 0.000 0.288 114 L C 0.137 176.673 176.870 -0.555 0.000 1.035 114 L CA -0.873 53.818 54.840 -0.248 0.000 0.820 114 L CB 1.007 42.972 42.059 -0.157 0.000 1.204 114 L HN 0.599 nan 8.230 nan 0.000 0.424 115 D N 1.234 121.363 120.400 -0.452 0.000 2.414 115 D HA 0.083 4.763 4.640 0.068 0.000 0.251 115 D C 0.935 177.019 176.300 -0.359 0.000 1.252 115 D CA -0.581 53.078 54.000 -0.568 0.000 0.999 115 D CB 0.746 41.489 40.800 -0.094 0.000 1.093 115 D HN 0.255 nan 8.370 nan 0.000 0.515 116 S N -0.711 114.864 115.700 -0.209 0.000 2.370 116 S HA -0.224 4.286 4.470 0.068 0.000 0.226 116 S C 1.646 176.208 174.600 -0.063 0.000 1.033 116 S CA 1.559 59.694 58.200 -0.108 0.000 1.011 116 S CB -0.557 62.629 63.200 -0.023 0.000 0.852 116 S HN 0.772 nan 8.310 nan 0.000 0.457 117 E N 1.455 121.631 120.200 -0.040 0.000 2.077 117 E HA -0.222 4.168 4.350 0.068 0.000 0.193 117 E C 0.887 177.472 176.600 -0.025 0.000 0.989 117 E CA 1.575 57.962 56.400 -0.021 0.000 0.800 117 E CB -0.406 29.290 29.700 -0.008 0.000 0.746 117 E HN 0.314 nan 8.360 nan 0.000 0.452 118 D N 0.613 120.986 120.400 -0.044 0.000 2.269 118 D HA -0.143 4.538 4.640 0.068 0.000 0.208 118 D C 1.936 178.225 176.300 -0.018 0.000 0.963 118 D CA 0.876 54.855 54.000 -0.035 0.000 0.864 118 D CB -0.212 40.558 40.800 -0.050 0.000 0.936 118 D HN 0.377 nan 8.370 nan 0.000 0.505 119 Q N -0.060 119.719 119.800 -0.036 0.000 2.046 119 Q HA -0.123 4.258 4.340 0.068 0.000 0.200 119 Q C 2.091 178.119 176.000 0.047 0.000 0.975 119 Q CA 0.664 56.481 55.803 0.025 0.000 0.836 119 Q CB -0.091 28.627 28.738 -0.034 0.000 0.896 119 Q HN 0.162 nan 8.270 nan 0.000 0.428 120 L N 0.992 122.221 121.223 0.011 0.000 2.042 120 L HA -0.190 4.190 4.340 0.068 0.000 0.210 120 L C 2.381 179.274 176.870 0.038 0.000 1.076 120 L CA 1.862 56.715 54.840 0.022 0.000 0.749 120 L CB -0.538 41.528 42.059 0.012 0.000 0.893 120 L HN 0.119 nan 8.230 nan 0.000 0.432 121 R N -0.646 119.871 120.500 0.028 0.000 2.096 121 R HA -0.148 4.232 4.340 0.068 0.000 0.235 121 R C 2.114 178.441 176.300 0.045 0.000 1.127 121 R CA 1.765 57.883 56.100 0.029 0.000 0.968 121 R CB -1.055 29.253 30.300 0.015 0.000 0.861 121 R HN 0.444 nan 8.270 nan 0.000 0.440 122 L N -0.295 120.964 121.223 0.060 0.000 2.056 122 L HA -0.058 4.323 4.340 0.068 0.000 0.207 122 L C 1.571 178.513 176.870 0.120 0.000 1.078 122 L CA 1.625 56.515 54.840 0.082 0.000 0.749 122 L CB -0.548 41.571 42.059 0.100 0.000 0.901 122 L HN 0.173 nan 8.230 nan 0.000 0.433 123 L N -0.482 120.823 121.223 0.137 0.000 2.109 123 L HA -0.129 4.252 4.340 0.068 0.000 0.207 123 L C 2.446 179.384 176.870 0.112 0.000 1.086 123 L CA 1.458 56.385 54.840 0.145 0.000 0.760 123 L CB -1.100 41.024 42.059 0.109 0.000 0.910 123 L HN 0.247 nan 8.230 nan 0.000 0.437 124 K N -0.742 119.708 120.400 0.084 0.000 2.074 124 K HA -0.212 4.148 4.320 0.068 0.000 0.209 124 K C 2.291 178.929 176.600 0.063 0.000 1.048 124 K CA 1.425 57.753 56.287 0.069 0.000 0.926 124 K CB -0.156 32.373 32.500 0.047 0.000 0.713 124 K HN 0.164 nan 8.250 nan 0.000 0.444 125 R N 0.631 121.166 120.500 0.059 0.000 2.115 125 R HA -0.065 4.316 4.340 0.068 0.000 0.226 125 R C 2.243 178.574 176.300 0.051 0.000 1.100 125 R CA 0.710 56.837 56.100 0.046 0.000 0.980 125 R CB -0.073 30.250 30.300 0.038 0.000 0.875 125 R HN 0.087 nan 8.270 nan 0.000 0.445 126 L N 0.882 122.150 121.223 0.074 0.000 2.072 126 L HA -0.123 4.258 4.340 0.068 0.000 0.205 126 L C 1.988 178.896 176.870 0.063 0.000 1.079 126 L CA 1.347 56.233 54.840 0.078 0.000 0.752 126 L CB -0.241 41.895 42.059 0.128 0.000 0.906 126 L HN 0.143 nan 8.230 nan 0.000 0.436 127 I N -0.262 120.355 120.570 0.079 0.000 2.179 127 I HA -0.290 3.921 4.170 0.068 0.000 0.242 127 I C 2.439 178.579 176.117 0.039 0.000 1.088 127 I CA 1.370 62.710 61.300 0.067 0.000 1.357 127 I CB -1.219 36.850 38.000 0.116 0.000 1.051 127 I HN 0.337 nan 8.210 nan 0.000 0.409 128 K N 0.709 121.135 120.400 0.043 0.000 2.063 128 K HA -0.124 4.237 4.320 0.068 0.000 0.208 128 K C 2.046 178.655 176.600 0.015 0.000 1.048 128 K CA 1.653 57.957 56.287 0.028 0.000 0.928 128 K CB -0.167 32.350 32.500 0.028 0.000 0.713 128 K HN 0.296 nan 8.250 nan 0.000 0.442 129 A N 0.638 123.467 122.820 0.015 0.000 2.119 129 A HA -0.033 4.328 4.320 0.068 0.000 0.217 129 A C 1.815 179.395 177.584 -0.006 0.000 1.153 129 A CA 0.892 52.932 52.037 0.006 0.000 0.692 129 A CB -0.298 18.707 19.000 0.010 0.000 0.799 129 A HN 0.202 nan 8.150 nan 0.000 0.458 130 M N -0.583 119.009 119.600 -0.014 0.000 2.561 130 M HA 0.072 4.592 4.480 0.068 0.000 0.238 130 M C -0.058 176.211 176.300 -0.053 0.000 1.131 130 M CA 0.115 55.390 55.300 -0.042 0.000 1.046 130 M CB -0.106 32.453 32.600 -0.067 0.000 1.532 130 M HN 0.424 nan 8.290 nan 0.000 0.497 131 N N 1.402 120.084 118.700 -0.029 0.000 2.747 131 N HA -0.148 4.633 4.740 0.068 0.000 0.249 131 N C -0.841 174.651 175.510 -0.029 0.000 1.107 131 N CA 0.537 53.574 53.050 -0.022 0.000 0.707 131 N CB -1.610 36.864 38.487 -0.022 0.000 1.054 131 N HN 0.382 nan 8.380 nan 0.000 0.555 132 L N 0.649 121.850 121.223 -0.037 0.000 2.350 132 L HA 0.213 4.594 4.340 0.068 0.000 0.275 132 L C 0.894 177.819 176.870 0.092 0.000 1.099 132 L CA -0.413 54.410 54.840 -0.027 0.000 0.808 132 L CB 0.692 42.662 42.059 -0.148 0.000 1.149 132 L HN -0.025 nan 8.230 nan 0.000 0.442 133 D N 1.499 122.008 120.400 0.183 0.000 2.383 133 D HA -0.081 4.600 4.640 0.068 0.000 0.275 133 D C 1.148 177.570 176.300 0.203 0.000 1.344 133 D CA 0.434 54.540 54.000 0.176 0.000 0.984 133 D CB 0.602 41.506 40.800 0.174 0.000 1.104 133 D HN 0.519 nan 8.370 nan 0.000 0.524 134 E N 3.238 123.515 120.200 0.129 0.000 2.118 134 E HA -0.291 4.100 4.350 0.068 0.000 0.195 134 E C 1.611 178.255 176.600 0.074 0.000 0.992 134 E CA 1.028 57.500 56.400 0.119 0.000 0.804 134 E CB 0.201 29.945 29.700 0.073 0.000 0.741 134 E HN 0.433 nan 8.360 nan 0.000 0.458 135 K N -0.234 120.183 120.400 0.028 0.000 2.103 135 K HA -0.195 4.165 4.320 0.068 0.000 0.207 135 K C 2.065 178.612 176.600 -0.087 0.000 1.048 135 K CA 1.470 57.745 56.287 -0.021 0.000 0.930 135 K CB 0.169 32.655 32.500 -0.024 0.000 0.716 135 K HN 0.063 nan 8.250 nan 0.000 0.444 136 Q N -1.451 118.257 119.800 -0.154 0.000 2.376 136 Q HA -0.025 4.356 4.340 0.068 0.000 0.206 136 Q C -0.221 175.341 176.000 -0.731 0.000 0.921 136 Q CA 0.788 56.305 55.803 -0.476 0.000 0.911 136 Q CB 0.495 28.854 28.738 -0.632 0.000 1.032 136 Q HN 0.329 nan 8.270 nan 0.000 0.510 137 W N 1.679 122.966 121.300 -0.022 0.000 2.148 137 W HA 0.354 5.055 4.660 0.068 0.000 0.288 137 W C -2.324 174.325 176.519 0.217 0.000 0.920 137 W CA -1.931 55.410 57.345 -0.007 0.000 1.904 137 W CB 1.145 30.459 29.460 -0.243 0.000 2.083 137 W HN -0.122 nan 8.180 nan 0.000 0.398 138 P HA 0.096 nan 4.420 nan 0.000 0.271 138 P C -1.800 175.665 177.300 0.276 0.000 1.216 138 P CA -0.899 62.342 63.100 0.235 0.000 0.771 138 P CB 0.938 32.700 31.700 0.103 0.000 0.864 139 P HA -0.195 nan 4.420 nan 0.000 0.216 139 P C 1.355 178.715 177.300 0.100 0.000 1.150 139 P CA 1.656 64.851 63.100 0.159 0.000 0.843 139 P CB -0.112 31.651 31.700 0.105 0.000 0.787 140 R N -0.032 120.503 120.500 0.058 0.000 2.148 140 R HA -0.127 4.253 4.340 0.068 0.000 0.227 140 R C 2.219 178.531 176.300 0.020 0.000 1.103 140 R CA 1.273 57.388 56.100 0.024 0.000 0.983 140 R CB -1.182 29.113 30.300 -0.008 0.000 0.874 140 R HN 0.219 nan 8.270 nan 0.000 0.451 141 Q N 0.733 120.531 119.800 -0.002 0.000 2.137 141 Q HA -0.002 4.379 4.340 0.068 0.000 0.198 141 Q C 2.157 178.005 176.000 -0.253 0.000 0.960 141 Q CA 1.062 56.804 55.803 -0.103 0.000 0.847 141 Q CB -0.045 28.610 28.738 -0.138 0.000 0.915 141 Q HN 0.484 nan 8.270 nan 0.000 0.448 142 A N 1.261 123.954 122.820 -0.212 0.000 1.883 142 A HA -0.263 4.097 4.320 0.068 0.000 0.217 142 A C 2.079 179.604 177.584 -0.098 0.000 1.186 142 A CA 1.811 53.766 52.037 -0.138 0.000 0.624 142 A CB -0.742 18.398 19.000 0.233 0.000 0.822 142 A HN 0.619 nan 8.150 nan 0.000 0.444 143 M N -1.798 117.769 119.600 -0.056 0.000 2.117 143 M HA -0.167 4.354 4.480 0.068 0.000 0.262 143 M C 2.061 178.307 176.300 -0.090 0.000 1.065 143 M CA 2.457 57.693 55.300 -0.107 0.000 1.114 143 M CB -0.296 32.273 32.600 -0.051 0.000 1.361 143 M HN 0.669 nan 8.290 nan 0.000 0.408 144 W N 0.345 121.531 121.300 -0.189 0.000 2.335 144 W HA -0.312 4.389 4.660 0.068 0.000 0.311 144 W C 2.031 178.421 176.519 -0.215 0.000 1.213 144 W CA 2.239 59.480 57.345 -0.174 0.000 1.274 144 W CB -0.923 28.448 29.460 -0.148 0.000 1.148 144 W HN 0.425 nan 8.180 nan 0.000 0.498 145 Y N 0.664 120.702 120.300 -0.437 0.000 2.145 145 Y HA -0.220 4.371 4.550 0.067 0.000 0.286 145 Y C 2.310 177.800 175.900 -0.684 0.000 1.145 145 Y CA 2.747 60.388 58.100 -0.765 0.000 1.148 145 Y CB -0.700 37.409 38.460 -0.585 0.000 0.981 145 Y HN -0.016 nan 8.280 nan 0.000 0.507 146 I N 0.320 120.584 120.570 -0.509 0.000 2.252 146 I HA -0.333 3.878 4.170 0.068 0.000 0.245 146 I C 1.825 177.509 176.117 -0.722 0.000 1.102 146 I CA 1.380 62.211 61.300 -0.781 0.000 1.385 146 I CB -0.467 37.104 38.000 -0.715 0.000 1.064 146 I HN 0.286 nan 8.210 nan 0.000 0.414 147 N N 0.089 118.473 118.700 -0.527 0.000 2.244 147 N HA -0.165 4.615 4.740 0.068 0.000 0.183 147 N C 1.972 177.217 175.510 -0.442 0.000 1.016 147 N CA 1.341 54.155 53.050 -0.395 0.000 0.866 147 N CB -0.409 37.917 38.487 -0.267 0.000 0.980 147 N HN 0.203 nan 8.380 nan 0.000 0.430 148 S N 0.487 115.809 115.700 -0.630 0.000 2.382 148 S HA -0.105 4.405 4.470 0.068 0.000 0.228 148 S C 1.730 176.007 174.600 -0.537 0.000 1.027 148 S CA 1.010 58.827 58.200 -0.639 0.000 0.991 148 S CB 0.036 62.644 63.200 -0.986 0.000 0.823 148 S HN 0.239 nan 8.310 nan 0.000 0.469 149 Q N 0.768 120.171 119.800 -0.661 0.000 2.083 149 Q HA 0.041 4.422 4.340 0.068 0.000 0.198 149 Q C 2.214 178.045 176.000 -0.281 0.000 0.969 149 Q CA 1.047 56.553 55.803 -0.496 0.000 0.838 149 Q CB -0.343 28.013 28.738 -0.637 0.000 0.900 149 Q HN 0.555 nan 8.270 nan 0.000 0.436 150 K N 0.599 120.818 120.400 -0.302 0.000 2.217 150 K HA -0.106 4.255 4.320 0.068 0.000 0.202 150 K C 1.396 177.926 176.600 -0.117 0.000 1.051 150 K CA 0.915 57.122 56.287 -0.134 0.000 0.952 150 K CB 0.145 32.580 32.500 -0.108 0.000 0.736 150 K HN 0.115 nan 8.250 nan 0.000 0.453 151 D N 0.970 121.270 120.400 -0.168 0.000 2.219 151 D HA -0.117 4.564 4.640 0.068 0.000 0.205 151 D C 1.490 177.721 176.300 -0.115 0.000 0.970 151 D CA 0.917 54.834 54.000 -0.138 0.000 0.851 151 D CB 0.090 40.796 40.800 -0.157 0.000 0.943 151 D HN 0.088 nan 8.370 nan 0.000 0.488 152 E N -0.322 119.804 120.200 -0.123 0.000 2.502 152 E HA 0.071 4.461 4.350 0.068 0.000 0.194 152 E C 1.266 177.839 176.600 -0.046 0.000 1.062 152 E CA 0.431 56.781 56.400 -0.084 0.000 0.867 152 E CB 0.320 29.962 29.700 -0.096 0.000 0.888 152 E HN 0.320 nan 8.360 nan 0.000 0.510 153 G N 1.278 110.055 108.800 -0.038 0.000 2.143 153 G HA2 -0.295 3.706 3.960 0.068 0.000 0.249 153 G HA3 -0.295 3.706 3.960 0.068 0.000 0.249 153 G C 0.233 175.153 174.900 0.033 0.000 0.981 153 G CA 0.280 45.382 45.100 0.003 0.000 0.665 153 G HN 0.223 nan 8.290 nan 0.000 0.528 154 L N 1.135 122.377 121.223 0.033 0.000 2.331 154 L HA 0.540 4.921 4.340 0.068 0.000 0.278 154 L C 1.068 178.042 176.870 0.174 0.000 1.106 154 L CA -0.882 54.006 54.840 0.079 0.000 0.824 154 L CB 0.643 42.738 42.059 0.060 0.000 1.142 154 L HN 0.050 nan 8.230 nan 0.000 0.443 155 R N 2.992 123.557 120.500 0.108 0.000 2.549 155 R HA 0.469 4.850 4.340 0.068 0.000 0.267 155 R C -2.339 173.897 176.300 -0.107 0.000 1.045 155 R CA -2.350 53.764 56.100 0.024 0.000 1.115 155 R CB -0.026 30.262 30.300 -0.019 0.000 1.121 155 R HN 0.273 nan 8.270 nan 0.000 0.543 156 P HA 0.170 nan 4.420 nan 0.000 0.271 156 P C 0.206 177.421 177.300 -0.141 0.000 1.216 156 P CA 0.351 63.180 63.100 -0.452 0.000 0.776 156 P CB 0.260 31.559 31.700 -0.669 0.000 0.881 157 H N -0.291 118.762 119.070 -0.029 0.000 3.402 157 H HA 0.481 5.078 4.556 0.068 0.000 0.121 157 H C 1.632 176.957 175.328 -0.006 0.000 1.550 157 H CA 1.123 57.171 56.048 -0.001 0.000 1.622 157 H CB -0.918 28.867 29.762 0.039 0.000 0.920 157 H HN 0.655 nan 8.280 nan 0.000 0.784 158 H N -1.523 117.555 119.070 0.012 0.000 2.396 158 H HA 0.777 5.374 4.556 0.068 0.000 0.330 158 H C 1.246 176.576 175.328 0.003 0.000 1.271 158 H CA 2.457 58.508 56.048 0.005 0.000 1.927 158 H CB -0.409 29.359 29.762 0.011 0.000 1.537 158 H HN 1.825 nan 8.280 nan 0.000 0.627 165 P HA 0.755 nan 4.420 nan 0.000 0.304 165 P C 0.806 178.168 177.300 0.102 0.000 1.360 165 P CA -0.061 63.087 63.100 0.080 0.000 0.869 165 P CB 1.187 32.932 31.700 0.075 0.000 0.988 166 V N 1.415 121.418 119.914 0.148 0.000 2.407 166 V HA -0.010 4.151 4.120 0.068 0.000 0.245 166 V C 3.155 179.381 176.094 0.219 0.000 1.041 166 V CA 2.465 64.897 62.300 0.221 0.000 1.040 166 V CB -0.730 31.220 31.823 0.212 0.000 0.671 166 V HN 0.872 nan 8.190 nan 0.000 0.455 167 E N 0.178 120.535 120.200 0.260 0.000 2.160 167 E HA -0.332 4.059 4.350 0.068 0.000 0.195 167 E C 2.206 178.895 176.600 0.149 0.000 0.991 167 E CA 2.282 58.848 56.400 0.277 0.000 0.810 167 E CB -1.064 28.808 29.700 0.287 0.000 0.742 167 E HN 0.772 nan 8.360 nan 0.000 0.466 168 Q N -0.143 119.708 119.800 0.085 0.000 2.096 168 Q HA -0.162 4.219 4.340 0.068 0.000 0.204 168 Q C 2.591 178.537 176.000 -0.090 0.000 0.982 168 Q CA 2.271 58.086 55.803 0.020 0.000 0.850 168 Q CB -1.393 27.351 28.738 0.009 0.000 0.901 168 Q HN 0.653 nan 8.270 nan 0.000 0.422 169 T N -0.700 113.717 114.554 -0.228 0.000 2.777 169 T HA -0.126 4.264 4.350 0.068 0.000 0.266 169 T C 1.541 175.935 174.700 -0.511 0.000 1.040 169 T CA 1.079 62.837 62.100 -0.570 0.000 1.141 169 T CB -0.367 67.756 68.868 -1.241 0.000 0.868 169 T HN 0.770 nan 8.240 nan 0.000 0.444 170 W N 1.447 122.577 121.300 -0.284 0.000 2.363 170 W HA -0.081 4.620 4.660 0.068 0.000 0.296 170 W C 2.782 179.145 176.519 -0.259 0.000 1.212 170 W CA -0.030 57.064 57.345 -0.419 0.000 1.260 170 W CB -0.133 28.747 29.460 -0.965 0.000 1.131 170 W HN 0.135 nan 8.180 nan 0.000 0.530 171 Q N 0.604 120.477 119.800 0.121 0.000 2.124 171 Q HA -0.193 4.188 4.340 0.068 0.000 0.202 171 Q C 1.916 178.012 176.000 0.160 0.000 0.977 171 Q CA 1.398 57.361 55.803 0.266 0.000 0.850 171 Q CB -0.392 28.471 28.738 0.208 0.000 0.901 171 Q HN 0.252 nan 8.270 nan 0.000 0.429 172 K N -0.169 120.249 120.400 0.030 0.000 2.057 172 K HA -0.059 4.302 4.320 0.068 0.000 0.206 172 K C 2.001 178.618 176.600 0.029 0.000 1.050 172 K CA 0.665 56.941 56.287 -0.019 0.000 0.935 172 K CB -0.056 32.370 32.500 -0.123 0.000 0.715 172 K HN -0.045 nan 8.250 nan 0.000 0.439 173 V N 0.485 120.428 119.914 0.049 0.000 2.343 173 V HA -0.268 3.893 4.120 0.068 0.000 0.247 173 V C 1.993 178.264 176.094 0.295 0.000 1.051 173 V CA 1.945 64.331 62.300 0.143 0.000 1.036 173 V CB -0.580 31.364 31.823 0.203 0.000 0.654 173 V HN 0.407 nan 8.190 nan 0.000 0.451 174 Y N 0.658 121.074 120.300 0.193 0.000 2.181 174 Y HA -0.321 4.270 4.550 0.068 0.000 0.288 174 Y C 2.761 178.785 175.900 0.206 0.000 1.146 174 Y CA 1.729 59.963 58.100 0.223 0.000 1.164 174 Y CB 0.100 38.736 38.460 0.293 0.000 0.982 174 Y HN 0.316 nan 8.280 nan 0.000 0.515 175 Q N 0.142 120.001 119.800 0.098 0.000 2.079 175 Q HA -0.169 4.212 4.340 0.068 0.000 0.200 175 Q C 2.509 178.534 176.000 0.043 0.000 0.974 175 Q CA 1.297 57.076 55.803 -0.039 0.000 0.840 175 Q CB -0.243 28.468 28.738 -0.046 0.000 0.898 175 Q HN 0.586 nan 8.270 nan 0.000 0.430 176 A N 0.188 123.065 122.820 0.095 0.000 1.969 176 A HA -0.196 4.164 4.320 0.068 0.000 0.218 176 A C 1.885 179.548 177.584 0.131 0.000 1.169 176 A CA 1.107 53.194 52.037 0.083 0.000 0.635 176 A CB -0.710 18.331 19.000 0.069 0.000 0.810 176 A HN 0.524 nan 8.150 nan 0.000 0.445 177 Y N 0.192 120.548 120.300 0.093 0.000 2.181 177 Y HA -0.221 4.369 4.550 0.068 0.000 0.288 177 Y C 2.484 178.435 175.900 0.084 0.000 1.146 177 Y CA 2.410 60.575 58.100 0.109 0.000 1.164 177 Y CB -0.335 38.236 38.460 0.186 0.000 0.982 177 Y HN 0.375 nan 8.280 nan 0.000 0.515 178 Q N 0.472 120.364 119.800 0.152 0.000 2.083 178 Q HA -0.151 4.229 4.340 0.068 0.000 0.198 178 Q C 2.067 178.019 176.000 -0.081 0.000 0.969 178 Q CA 2.027 57.834 55.803 0.008 0.000 0.838 178 Q CB -0.086 28.670 28.738 0.030 0.000 0.900 178 Q HN 0.626 nan 8.270 nan 0.000 0.436 179 E N -0.443 119.729 120.200 -0.046 0.000 2.077 179 E HA -0.214 4.177 4.350 0.068 0.000 0.193 179 E C 1.871 178.428 176.600 -0.071 0.000 0.989 179 E CA 1.008 57.378 56.400 -0.051 0.000 0.800 179 E CB -0.214 29.468 29.700 -0.029 0.000 0.746 179 E HN 0.470 nan 8.360 nan 0.000 0.452 180 A N 0.654 123.422 122.820 -0.087 0.000 1.902 180 A HA -0.207 4.153 4.320 0.068 0.000 0.217 180 A C 2.415 179.911 177.584 -0.147 0.000 1.181 180 A CA 1.301 53.278 52.037 -0.100 0.000 0.623 180 A CB -0.857 18.092 19.000 -0.085 0.000 0.818 180 A HN 0.376 nan 8.150 nan 0.000 0.443 181 C N -0.547 118.602 119.300 -0.250 0.000 2.429 181 C HA -0.078 4.423 4.460 0.068 0.000 0.277 181 C C 2.340 177.249 174.990 -0.134 0.000 1.262 181 C CA 1.153 60.025 59.018 -0.244 0.000 1.733 181 C CB -1.208 26.303 27.740 -0.381 0.000 2.010 181 C HN 0.615 nan 8.230 nan 0.000 0.483 182 D N 0.108 120.442 120.400 -0.110 0.000 2.178 182 D HA -0.087 4.593 4.640 0.068 0.000 0.202 182 D C 2.242 178.513 176.300 -0.047 0.000 0.974 182 D CA 0.850 54.808 54.000 -0.070 0.000 0.841 182 D CB -0.380 40.386 40.800 -0.057 0.000 0.953 182 D HN 0.416 nan 8.370 nan 0.000 0.478 183 R N 0.957 121.428 120.500 -0.048 0.000 2.070 183 R HA -0.011 4.369 4.340 0.068 0.000 0.232 183 R C 1.733 178.021 176.300 -0.020 0.000 1.138 183 R CA 1.894 57.977 56.100 -0.029 0.000 0.936 183 R CB -0.435 29.848 30.300 -0.030 0.000 0.839 183 R HN 0.066 nan 8.270 nan 0.000 0.429 184 A N -0.855 121.947 122.820 -0.029 0.000 2.275 184 A HA 0.314 4.675 4.320 0.068 0.000 0.212 184 A C 1.046 178.633 177.584 0.005 0.000 1.201 184 A CA 0.404 52.433 52.037 -0.014 0.000 0.843 184 A CB -0.335 18.650 19.000 -0.025 0.000 0.873 184 A HN 0.667 nan 8.150 nan 0.000 0.492 185 G N -0.616 108.185 108.800 0.002 0.000 2.298 185 G HA2 -0.138 3.863 3.960 0.068 0.000 0.287 185 G HA3 -0.138 3.863 3.960 0.068 0.000 0.287 185 G C -0.445 174.497 174.900 0.069 0.000 1.075 185 G CA 0.205 45.330 45.100 0.042 0.000 0.960 185 G HN 0.309 nan 8.290 nan 0.000 0.502 186 L N -0.063 121.156 121.223 -0.006 0.000 2.317 186 L HA 0.788 5.169 4.340 0.068 0.000 0.281 186 L C 0.516 177.361 176.870 -0.042 0.000 1.024 186 L CA -1.383 53.447 54.840 -0.018 0.000 0.810 186 L CB 2.006 44.015 42.059 -0.084 0.000 1.240 186 L HN 0.705 nan 8.230 nan 0.000 0.427 187 V N -0.541 119.368 119.914 -0.008 0.000 2.482 187 V HA 0.642 4.803 4.120 0.068 0.000 0.295 187 V C -0.616 175.451 176.094 -0.045 0.000 1.026 187 V CA -0.957 61.327 62.300 -0.027 0.000 0.856 187 V CB 1.290 33.103 31.823 -0.016 0.000 1.001 187 V HN 0.788 nan 8.190 nan 0.000 0.424 188 D N 3.477 123.852 120.400 -0.041 0.000 2.398 188 D HA 0.267 4.947 4.640 0.068 0.000 0.247 188 D C 0.728 177.015 176.300 -0.022 0.000 1.227 188 D CA -0.468 53.464 54.000 -0.115 0.000 0.980 188 D CB 0.429 41.207 40.800 -0.036 0.000 1.106 188 D HN 0.268 nan 8.370 nan 0.000 0.493 189 F N -0.235 119.689 119.950 -0.043 0.000 2.134 189 F HA 0.017 4.584 4.527 0.067 0.000 0.299 189 F C 2.630 178.455 175.800 0.043 0.000 1.097 189 F CA 1.082 59.045 58.000 -0.061 0.000 1.264 189 F CB -1.416 37.445 39.000 -0.231 0.000 1.001 189 F HN 0.523 nan 8.300 nan 0.000 0.479 190 A N -0.383 122.545 122.820 0.180 0.000 1.930 190 A HA -0.203 4.157 4.320 0.068 0.000 0.217 190 A C 2.130 179.747 177.584 0.055 0.000 1.175 190 A CA 1.705 53.798 52.037 0.093 0.000 0.627 190 A CB -0.756 18.256 19.000 0.019 0.000 0.815 190 A HN 0.302 nan 8.150 nan 0.000 0.443 191 E N 0.245 120.482 120.200 0.060 0.000 2.085 191 E HA -0.161 4.229 4.350 0.068 0.000 0.194 191 E C 1.782 178.383 176.600 0.003 0.000 0.994 191 E CA 1.175 57.594 56.400 0.032 0.000 0.801 191 E CB -0.449 29.267 29.700 0.027 0.000 0.743 191 E HN 0.607 nan 8.360 nan 0.000 0.453 192 L N -0.424 120.819 121.223 0.033 0.000 1.991 192 L HA -0.278 4.102 4.340 0.068 0.000 0.221 192 L C 2.362 179.162 176.870 -0.117 0.000 1.079 192 L CA 1.274 56.109 54.840 -0.009 0.000 0.778 192 L CB -0.567 41.534 42.059 0.070 0.000 0.893 192 L HN 0.246 nan 8.230 nan 0.000 0.437 193 L N -1.104 120.020 121.223 -0.165 0.000 2.072 193 L HA -0.149 4.231 4.340 0.068 0.000 0.205 193 L C 2.303 179.075 176.870 -0.163 0.000 1.079 193 L CA 1.458 56.108 54.840 -0.317 0.000 0.752 193 L CB -0.449 41.380 42.059 -0.383 0.000 0.906 193 L HN 0.118 nan 8.230 nan 0.000 0.436 194 L N -1.119 120.063 121.223 -0.070 0.000 2.012 194 L HA -0.252 4.129 4.340 0.068 0.000 0.210 194 L C 2.708 179.601 176.870 0.037 0.000 1.073 194 L CA 1.404 56.254 54.840 0.016 0.000 0.748 194 L CB -0.502 41.571 42.059 0.024 0.000 0.891 194 L HN 0.194 nan 8.230 nan 0.000 0.431 195 R N -0.321 120.169 120.500 -0.016 0.000 2.092 195 R HA -0.099 4.282 4.340 0.068 0.000 0.231 195 R C 2.406 178.683 176.300 -0.039 0.000 1.119 195 R CA 1.159 57.242 56.100 -0.030 0.000 0.970 195 R CB -0.444 29.811 30.300 -0.075 0.000 0.864 195 R HN 0.370 nan 8.270 nan 0.000 0.440 196 A N 0.427 123.198 122.820 -0.081 0.000 1.898 196 A HA -0.215 4.146 4.320 0.068 0.000 0.216 196 A C 1.897 179.479 177.584 -0.003 0.000 1.181 196 A CA 1.619 53.576 52.037 -0.134 0.000 0.620 196 A CB -0.627 18.196 19.000 -0.295 0.000 0.819 196 A HN 0.328 nan 8.150 nan 0.000 0.442 197 H N 0.144 119.248 119.070 0.056 0.000 2.321 197 H HA -0.075 4.521 4.556 0.068 0.000 0.300 197 H C 1.925 177.361 175.328 0.180 0.000 1.087 197 H CA 2.060 58.273 56.048 0.276 0.000 1.319 197 H CB -0.164 29.746 29.762 0.247 0.000 1.379 197 H HN 0.624 nan 8.280 nan 0.000 0.501 198 E N -0.383 119.877 120.200 0.100 0.000 2.118 198 E HA -0.168 4.223 4.350 0.068 0.000 0.195 198 E C 2.161 178.777 176.600 0.027 0.000 0.992 198 E CA 1.009 57.428 56.400 0.033 0.000 0.804 198 E CB -0.163 29.563 29.700 0.043 0.000 0.741 198 E HN 0.311 nan 8.360 nan 0.000 0.458 199 L N 0.251 121.478 121.223 0.008 0.000 2.012 199 L HA -0.188 4.193 4.340 0.068 0.000 0.210 199 L C 1.804 178.747 176.870 0.122 0.000 1.073 199 L CA 1.682 56.527 54.840 0.009 0.000 0.748 199 L CB -0.406 41.602 42.059 -0.085 0.000 0.891 199 L HN 0.251 nan 8.230 nan 0.000 0.431 200 W N -0.508 120.799 121.300 0.013 0.000 2.402 200 W HA -0.040 4.661 4.660 0.067 0.000 0.286 200 W C 2.423 178.899 176.519 -0.071 0.000 1.221 200 W CA 0.747 58.072 57.345 -0.034 0.000 1.257 200 W CB -0.838 28.599 29.460 -0.038 0.000 1.120 200 W HN 0.196 nan 8.180 nan 0.000 0.551 201 L N 0.239 121.520 121.223 0.096 0.000 2.156 201 L HA -0.158 4.223 4.340 0.068 0.000 0.208 201 L C 1.707 178.604 176.870 0.045 0.000 1.095 201 L CA 1.032 55.880 54.840 0.013 0.000 0.770 201 L CB -0.601 41.422 42.059 -0.060 0.000 0.914 201 L HN -0.119 nan 8.230 nan 0.000 0.439 202 N N -0.852 117.886 118.700 0.063 0.000 2.282 202 N HA 0.036 4.817 4.740 0.068 0.000 0.185 202 N C -0.060 175.504 175.510 0.090 0.000 1.099 202 N CA 0.528 53.617 53.050 0.064 0.000 0.878 202 N CB 0.540 39.059 38.487 0.053 0.000 0.993 202 N HN 0.075 nan 8.380 nan 0.000 0.481 203 K N 0.655 121.119 120.400 0.107 0.000 2.646 203 K HA 0.321 4.682 4.320 0.068 0.000 0.210 203 K C -2.107 174.559 176.600 0.110 0.000 1.020 203 K CA -1.508 54.856 56.287 0.129 0.000 1.040 203 K CB 2.435 34.967 32.500 0.053 0.000 1.253 203 K HN -0.150 nan 8.250 nan 0.000 0.532 204 P HA -0.200 nan 4.420 nan 0.000 0.216 204 P C 1.180 178.545 177.300 0.108 0.000 1.150 204 P CA 1.419 64.585 63.100 0.110 0.000 0.837 204 P CB 0.091 31.854 31.700 0.105 0.000 0.786 205 H N -1.222 117.870 119.070 0.036 0.000 2.462 205 H HA 0.064 4.660 4.556 0.068 0.000 0.292 205 H C 1.860 177.224 175.328 0.060 0.000 1.049 205 H CA 0.805 56.872 56.048 0.032 0.000 1.334 205 H CB -1.331 28.446 29.762 0.024 0.000 1.404 205 H HN 0.164 nan 8.280 nan 0.000 0.544 206 I N 0.540 120.807 120.570 -0.505 0.000 2.193 206 I HA -0.216 3.995 4.170 0.068 0.000 0.240 206 I C 2.668 178.860 176.117 0.125 0.000 1.084 206 I CA 0.875 62.053 61.300 -0.204 0.000 1.365 206 I CB -0.222 37.620 38.000 -0.263 0.000 1.064 206 I HN 0.150 nan 8.210 nan 0.000 0.410 207 L N 0.884 122.146 121.223 0.066 0.000 2.042 207 L HA -0.276 4.104 4.340 0.068 0.000 0.210 207 L C 2.539 179.305 176.870 -0.173 0.000 1.076 207 L CA 1.937 56.677 54.840 -0.167 0.000 0.749 207 L CB -0.808 41.141 42.059 -0.183 0.000 0.893 207 L HN 0.290 nan 8.230 nan 0.000 0.432 208 Q N -1.612 118.140 119.800 -0.080 0.000 2.167 208 Q HA -0.274 4.106 4.340 0.068 0.000 0.202 208 Q C 2.297 178.235 176.000 -0.103 0.000 0.970 208 Q CA 1.527 57.277 55.803 -0.087 0.000 0.855 208 Q CB -0.414 28.304 28.738 -0.035 0.000 0.911 208 Q HN 0.784 nan 8.270 nan 0.000 0.438 209 H N -0.638 118.329 119.070 -0.171 0.000 2.290 209 H HA -0.197 4.400 4.556 0.068 0.000 0.298 209 H C 1.337 176.431 175.328 -0.391 0.000 1.087 209 H CA 2.161 58.034 56.048 -0.291 0.000 1.291 209 H CB -0.185 29.344 29.762 -0.389 0.000 1.369 209 H HN 0.388 nan 8.280 nan 0.000 0.492 210 Y N 0.552 120.742 120.300 -0.184 0.000 2.314 210 Y HA -0.052 4.539 4.550 0.068 0.000 0.293 210 Y C 3.098 178.817 175.900 -0.302 0.000 1.129 210 Y CA 1.015 58.979 58.100 -0.227 0.000 1.201 210 Y CB -0.286 38.198 38.460 0.041 0.000 0.999 210 Y HN 0.115 nan 8.280 nan 0.000 0.541 211 R N 0.623 120.985 120.500 -0.230 0.000 2.115 211 R HA -0.148 4.233 4.340 0.068 0.000 0.230 211 R C 1.678 177.858 176.300 -0.200 0.000 1.111 211 R CA 1.548 57.514 56.100 -0.225 0.000 0.976 211 R CB -0.043 30.112 30.300 -0.240 0.000 0.870 211 R HN 0.440 nan 8.270 nan 0.000 0.445 212 E N -0.674 119.377 120.200 -0.250 0.000 2.285 212 E HA -0.154 4.237 4.350 0.068 0.000 0.194 212 E C 1.907 178.317 176.600 -0.316 0.000 0.997 212 E CA 0.506 56.760 56.400 -0.244 0.000 0.845 212 E CB 0.106 29.675 29.700 -0.218 0.000 0.782 212 E HN 0.262 nan 8.360 nan 0.000 0.491 213 R N 0.599 120.808 120.500 -0.486 0.000 2.048 213 R HA 0.012 4.393 4.340 0.068 0.000 0.224 213 R C 0.412 176.396 176.300 -0.527 0.000 1.163 213 R CA 0.553 56.268 56.100 -0.642 0.000 0.956 213 R CB -0.069 29.591 30.300 -1.067 0.000 0.849 213 R HN -0.019 nan 8.270 nan 0.000 0.435 214 F N 2.353 122.184 119.950 -0.198 0.000 2.652 214 F HA 0.091 4.659 4.527 0.068 0.000 0.352 214 F C 1.048 176.781 175.800 -0.112 0.000 1.259 214 F CA -0.223 57.691 58.000 -0.144 0.000 1.249 214 F CB 0.926 39.833 39.000 -0.156 0.000 1.628 214 F HN 0.254 nan 8.300 nan 0.000 0.654 215 T N -2.872 111.708 114.554 0.043 0.000 3.100 215 T HA 0.073 4.464 4.350 0.068 0.000 0.253 215 T C 0.544 175.278 174.700 0.057 0.000 1.118 215 T CA 0.008 62.120 62.100 0.021 0.000 1.058 215 T CB -0.134 68.726 68.868 -0.012 0.000 0.953 215 T HN 0.180 nan 8.240 nan 0.000 0.515 216 N N 1.421 120.178 118.700 0.095 0.000 2.524 216 N HA 0.507 5.288 4.740 0.068 0.000 0.261 216 N C -1.392 174.168 175.510 0.082 0.000 0.998 216 N CA -0.366 52.736 53.050 0.085 0.000 0.915 216 N CB 1.856 40.398 38.487 0.092 0.000 1.187 216 N HN 0.344 nan 8.380 nan 0.000 0.507 217 I N 2.417 123.016 120.570 0.047 0.000 2.474 217 I HA 0.446 4.657 4.170 0.068 0.000 0.294 217 I C -0.812 175.300 176.117 -0.008 0.000 1.005 217 I CA -0.784 60.524 61.300 0.014 0.000 1.113 217 I CB 1.621 39.626 38.000 0.008 0.000 1.289 217 I HN 0.112 nan 8.210 nan 0.000 0.436 218 L N 6.765 127.979 121.223 -0.015 0.000 2.408 218 L HA 0.673 5.053 4.340 0.068 0.000 0.268 218 L C -0.818 176.039 176.870 -0.021 0.000 0.986 218 L CA -0.656 54.164 54.840 -0.033 0.000 0.820 218 L CB 2.060 44.113 42.059 -0.010 0.000 1.303 218 L HN 0.187 nan 8.230 nan 0.000 0.411 219 V N 0.896 120.796 119.914 -0.023 0.000 2.525 219 V HA 0.446 4.606 4.120 0.068 0.000 0.299 219 V C -0.716 175.451 176.094 0.121 0.000 1.034 219 V CA -0.601 61.754 62.300 0.091 0.000 0.863 219 V CB 1.810 33.809 31.823 0.292 0.000 0.999 219 V HN 0.690 nan 8.190 nan 0.000 0.423 220 D N 2.536 123.019 120.400 0.138 0.000 2.387 220 D HA 0.306 4.987 4.640 0.068 0.000 0.251 220 D C 0.517 176.938 176.300 0.201 0.000 1.141 220 D CA 0.043 54.124 54.000 0.135 0.000 0.987 220 D CB 0.891 41.754 40.800 0.105 0.000 1.116 220 D HN 0.613 nan 8.370 nan 0.000 0.491 221 E N 0.692 120.962 120.200 0.117 0.000 2.269 221 E HA -0.270 4.121 4.350 0.068 0.000 0.223 221 E C 0.642 177.306 176.600 0.106 0.000 1.244 221 E CA 0.166 56.584 56.400 0.029 0.000 0.713 221 E CB -1.767 27.843 29.700 -0.150 0.000 1.178 221 E HN 0.466 nan 8.360 nan 0.000 0.370 222 F N 1.534 121.492 119.950 0.014 0.000 2.293 222 F HA -0.170 4.397 4.527 0.068 0.000 0.300 222 F C 2.638 178.467 175.800 0.048 0.000 1.086 222 F CA 1.846 59.877 58.000 0.053 0.000 1.375 222 F CB 0.219 39.209 39.000 -0.017 0.000 1.045 222 F HN 0.188 nan 8.300 nan 0.000 0.516 223 Q N -0.405 119.447 119.800 0.088 0.000 2.291 223 Q HA -0.188 4.193 4.340 0.068 0.000 0.206 223 Q C 0.389 176.366 176.000 -0.039 0.000 0.976 223 Q CA 1.738 57.553 55.803 0.021 0.000 0.875 223 Q CB -0.760 27.990 28.738 0.020 0.000 0.927 223 Q HN 0.389 nan 8.270 nan 0.000 0.450 224 D N 2.138 122.504 120.400 -0.057 0.000 2.388 224 D HA 0.063 4.743 4.640 0.068 0.000 0.221 224 D C -0.044 176.267 176.300 0.019 0.000 1.133 224 D CA 0.358 54.363 54.000 0.008 0.000 0.831 224 D CB 0.471 41.306 40.800 0.058 0.000 0.962 224 D HN 0.406 nan 8.370 nan 0.000 0.502 225 T N 0.114 114.581 114.554 -0.144 0.000 2.926 225 T HA 0.202 4.592 4.350 0.068 0.000 0.307 225 T C 0.556 175.127 174.700 -0.216 0.000 1.059 225 T CA -0.756 61.185 62.100 -0.265 0.000 1.122 225 T CB 1.315 69.843 68.868 -0.566 0.000 0.972 225 T HN 0.015 nan 8.240 nan 0.000 0.545 226 N N 1.664 120.219 118.700 -0.243 0.000 2.643 226 N HA 0.254 5.035 4.740 0.068 0.000 0.305 226 N C 0.724 176.150 175.510 -0.140 0.000 1.283 226 N CA -1.015 51.929 53.050 -0.176 0.000 0.946 226 N CB 0.028 38.410 38.487 -0.175 0.000 1.149 226 N HN 0.641 nan 8.380 nan 0.000 0.600 227 N N -1.039 117.602 118.700 -0.098 0.000 2.084 227 N HA -0.085 4.696 4.740 0.068 0.000 0.190 227 N C 1.423 176.916 175.510 -0.028 0.000 1.030 227 N CA 1.118 54.146 53.050 -0.038 0.000 0.849 227 N CB -0.197 38.265 38.487 -0.042 0.000 1.012 227 N HN 0.552 nan 8.380 nan 0.000 0.423 228 I N 1.223 121.724 120.570 -0.115 0.000 2.315 228 I HA -0.217 3.994 4.170 0.068 0.000 0.248 228 I C 1.849 177.862 176.117 -0.174 0.000 1.117 228 I CA 1.430 62.626 61.300 -0.174 0.000 1.404 228 I CB -0.224 37.660 38.000 -0.194 0.000 1.071 228 I HN 0.219 nan 8.210 nan 0.000 0.419 229 Q N -0.952 118.677 119.800 -0.284 0.000 2.050 229 Q HA -0.266 4.115 4.340 0.068 0.000 0.202 229 Q C 2.236 178.226 176.000 -0.018 0.000 0.980 229 Q CA 2.282 57.815 55.803 -0.450 0.000 0.840 229 Q CB -0.530 27.521 28.738 -1.145 0.000 0.898 229 Q HN 0.638 nan 8.270 nan 0.000 0.424 230 Y N 0.900 121.147 120.300 -0.088 0.000 2.128 230 Y HA -0.316 4.274 4.550 0.068 0.000 0.284 230 Y C 2.217 178.262 175.900 0.241 0.000 1.154 230 Y CA 1.591 59.768 58.100 0.128 0.000 1.149 230 Y CB -0.459 38.045 38.460 0.074 0.000 0.976 230 Y HN 0.119 nan 8.280 nan 0.000 0.505 231 A N -0.522 122.439 122.820 0.235 0.000 1.908 231 A HA -0.278 4.082 4.320 0.068 0.000 0.218 231 A C 2.095 179.835 177.584 0.259 0.000 1.181 231 A CA 1.767 53.908 52.037 0.175 0.000 0.627 231 A CB -1.712 17.269 19.000 -0.032 0.000 0.818 231 A HN 0.820 nan 8.150 nan 0.000 0.445 232 W N 0.645 121.974 121.300 0.049 0.000 2.355 232 W HA -0.170 4.531 4.660 0.068 0.000 0.309 232 W C 1.778 178.554 176.519 0.428 0.000 1.206 232 W CA 1.773 59.325 57.345 0.345 0.000 1.284 232 W CB -0.120 29.484 29.460 0.241 0.000 1.145 232 W HN 0.249 nan 8.180 nan 0.000 0.502 233 I N 0.629 121.461 120.570 0.438 0.000 2.226 233 I HA -0.252 3.958 4.170 0.068 0.000 0.245 233 I C 2.489 178.685 176.117 0.131 0.000 1.100 233 I CA 1.755 63.205 61.300 0.251 0.000 1.374 233 I CB -1.603 36.630 38.000 0.387 0.000 1.057 233 I HN 0.102 nan 8.210 nan 0.000 0.413 234 R N 0.639 121.200 120.500 0.102 0.000 2.081 234 R HA -0.197 4.184 4.340 0.068 0.000 0.235 234 R C 2.364 178.677 176.300 0.021 0.000 1.131 234 R CA 1.332 57.491 56.100 0.097 0.000 0.960 234 R CB -0.318 29.974 30.300 -0.013 0.000 0.856 234 R HN 0.205 nan 8.270 nan 0.000 0.436 235 L N 0.916 122.178 121.223 0.065 0.000 2.083 235 L HA -0.140 4.241 4.340 0.068 0.000 0.209 235 L C 2.060 178.792 176.870 -0.229 0.000 1.083 235 L CA 1.437 56.277 54.840 -0.000 0.000 0.752 235 L CB -0.535 41.630 42.059 0.176 0.000 0.899 235 L HN 0.271 nan 8.230 nan 0.000 0.433 236 L N -0.155 120.846 121.223 -0.371 0.000 2.046 236 L HA -0.072 4.308 4.340 0.068 0.000 0.208 236 L C 2.418 179.076 176.870 -0.354 0.000 1.077 236 L CA 2.126 56.552 54.840 -0.690 0.000 0.747 236 L CB -1.073 40.536 42.059 -0.750 0.000 0.896 236 L HN 0.265 nan 8.230 nan 0.000 0.432 237 A N -0.881 121.850 122.820 -0.147 0.000 1.968 237 A HA 0.302 4.662 4.320 0.068 0.000 0.217 237 A C 1.816 179.353 177.584 -0.079 0.000 1.169 237 A CA 1.058 53.076 52.037 -0.032 0.000 0.638 237 A CB -1.313 17.804 19.000 0.195 0.000 0.812 237 A HN 0.725 nan 8.150 nan 0.000 0.446 238 G N 0.657 109.381 108.800 -0.126 0.000 2.627 238 G HA2 -0.414 3.586 3.960 0.068 0.000 0.312 238 G HA3 -0.414 3.586 3.960 0.068 0.000 0.312 238 G C 0.205 175.021 174.900 -0.139 0.000 1.299 238 G CA 1.050 46.066 45.100 -0.142 0.000 0.989 238 G HN 0.955 nan 8.290 nan 0.000 0.547 239 D N -0.891 119.440 120.400 -0.114 0.000 2.402 239 D HA 0.262 4.942 4.640 0.068 0.000 0.216 239 D C 1.717 177.982 176.300 -0.059 0.000 1.128 239 D CA 1.303 55.243 54.000 -0.100 0.000 0.833 239 D CB -0.002 40.738 40.800 -0.100 0.000 0.971 239 D HN 0.740 nan 8.370 nan 0.000 0.503 240 T N -3.917 110.605 114.554 -0.053 0.000 2.999 240 T HA 0.265 4.656 4.350 0.068 0.000 0.247 240 T C 1.378 176.070 174.700 -0.014 0.000 1.012 240 T CA 0.063 62.139 62.100 -0.039 0.000 1.048 240 T CB -0.240 68.593 68.868 -0.058 0.000 1.020 240 T HN 0.124 nan 8.240 nan 0.000 0.478 241 G N 1.472 110.269 108.800 -0.004 0.000 2.483 241 G HA2 0.503 4.503 3.960 0.068 0.000 0.248 241 G HA3 0.503 4.503 3.960 0.068 0.000 0.248 241 G C -0.930 174.016 174.900 0.076 0.000 1.248 241 G CA -0.536 44.581 45.100 0.028 0.000 0.838 241 G HN 0.193 nan 8.290 nan 0.000 0.566 242 K N 0.686 121.128 120.400 0.070 0.000 2.293 242 K HA 0.502 4.863 4.320 0.068 0.000 0.267 242 K C -0.492 176.155 176.600 0.078 0.000 1.010 242 K CA -0.362 55.974 56.287 0.083 0.000 0.875 242 K CB 1.870 34.409 32.500 0.064 0.000 1.106 242 K HN 0.215 nan 8.250 nan 0.000 0.450 243 V N 4.267 124.238 119.914 0.096 0.000 2.459 243 V HA 0.463 4.624 4.120 0.068 0.000 0.295 243 V C -0.333 175.757 176.094 -0.008 0.000 1.029 243 V CA -0.871 61.451 62.300 0.037 0.000 0.874 243 V CB 1.599 33.441 31.823 0.031 0.000 0.985 243 V HN 0.761 nan 8.190 nan 0.000 0.438 244 M N 7.226 126.765 119.600 -0.102 0.000 2.205 244 M HA 0.660 5.180 4.480 0.068 0.000 0.344 244 M C -0.863 175.216 176.300 -0.369 0.000 1.085 244 M CA -0.585 54.606 55.300 -0.182 0.000 1.001 244 M CB 1.156 33.697 32.600 -0.098 0.000 1.626 244 M HN 0.770 nan 8.290 nan 0.000 0.442 245 I N 3.094 123.257 120.570 -0.678 0.000 2.460 245 I HA 0.750 4.960 4.170 0.068 0.000 0.298 245 I C -1.393 174.474 176.117 -0.416 0.000 0.989 245 I CA -0.928 59.922 61.300 -0.750 0.000 1.173 245 I CB 1.822 38.855 38.000 -1.612 0.000 1.338 245 I HN 0.408 nan 8.210 nan 0.000 0.456 246 V N 4.866 124.660 119.914 -0.199 0.000 2.487 246 V HA 0.952 5.112 4.120 0.068 0.000 0.298 246 V C 0.394 176.489 176.094 0.001 0.000 1.028 246 V CA -0.081 62.167 62.300 -0.086 0.000 0.860 246 V CB 0.999 32.797 31.823 -0.042 0.000 0.991 246 V HN 1.162 nan 8.190 nan 0.000 0.427 247 G N 2.648 111.448 108.800 0.001 0.000 2.506 247 G HA2 0.574 4.574 3.960 0.068 0.000 0.292 247 G HA3 0.574 4.574 3.960 0.068 0.000 0.292 247 G C -2.377 172.542 174.900 0.031 0.000 1.425 247 G CA -0.395 44.735 45.100 0.049 0.000 0.788 247 G HN 0.536 nan 8.290 nan 0.000 0.490 248 D N -0.264 120.157 120.400 0.035 0.000 2.479 248 D HA 0.287 4.968 4.640 0.068 0.000 0.246 248 D C 0.780 177.096 176.300 0.026 0.000 1.336 248 D CA -0.460 53.560 54.000 0.034 0.000 0.967 248 D CB 1.509 42.339 40.800 0.050 0.000 1.275 248 D HN 0.307 nan 8.370 nan 0.000 0.577 249 D N 2.096 122.507 120.400 0.018 0.000 2.263 249 D HA -0.183 4.497 4.640 0.068 0.000 0.208 249 D C 0.627 176.906 176.300 -0.036 0.000 0.971 249 D CA 0.651 54.652 54.000 0.003 0.000 0.867 249 D CB 0.188 40.992 40.800 0.007 0.000 0.929 249 D HN 0.329 nan 8.370 nan 0.000 0.492 250 D N 0.235 120.598 120.400 -0.063 0.000 2.363 250 D HA -0.039 4.641 4.640 0.068 0.000 0.220 250 D C 1.153 177.429 176.300 -0.040 0.000 0.994 250 D CA 0.433 54.332 54.000 -0.169 0.000 0.890 250 D CB 0.064 40.602 40.800 -0.436 0.000 0.906 250 D HN 0.463 nan 8.370 nan 0.000 0.530 251 Q N -0.240 119.578 119.800 0.031 0.000 2.172 251 Q HA 0.121 4.502 4.340 0.068 0.000 0.217 251 Q C 0.094 176.070 176.000 -0.040 0.000 0.832 251 Q CA -0.146 55.680 55.803 0.039 0.000 1.010 251 Q CB 0.995 29.767 28.738 0.057 0.000 1.133 251 Q HN -0.110 nan 8.270 nan 0.000 0.489 252 S N 1.588 117.265 115.700 -0.039 0.000 2.443 252 S HA 0.183 4.693 4.470 0.068 0.000 0.284 252 S C 0.721 175.279 174.600 -0.070 0.000 1.206 252 S CA -0.204 57.965 58.200 -0.051 0.000 1.074 252 S CB -0.083 63.106 63.200 -0.019 0.000 0.963 252 S HN 0.494 nan 8.310 nan 0.000 0.501 253 I N 2.014 122.476 120.570 -0.180 0.000 4.442 253 I HA 0.380 4.591 4.170 0.068 0.000 0.331 253 I C -0.663 175.389 176.117 -0.108 0.000 1.364 253 I CA -0.426 60.779 61.300 -0.158 0.000 1.207 253 I CB 0.192 38.020 38.000 -0.288 0.000 1.298 253 I HN 0.441 nan 8.210 nan 0.000 0.463 254 Y N 2.314 122.689 120.300 0.125 0.000 2.756 254 Y HA 0.539 5.130 4.550 0.068 0.000 0.300 254 Y C 2.090 177.861 175.900 -0.215 0.000 1.113 254 Y CA -0.518 57.511 58.100 -0.118 0.000 1.291 254 Y CB 0.112 38.470 38.460 -0.170 0.000 1.175 254 Y HN 0.175 nan 8.280 nan 0.000 0.534 255 G N 1.242 110.106 108.800 0.107 0.000 2.513 255 G HA2 -0.293 3.707 3.960 0.068 0.000 0.219 255 G HA3 -0.293 3.707 3.960 0.068 0.000 0.219 255 G C 1.516 176.475 174.900 0.098 0.000 1.160 255 G CA 1.119 46.281 45.100 0.104 0.000 0.767 255 G HN 0.731 nan 8.290 nan 0.000 0.571 256 W N 0.850 122.199 121.300 0.081 0.000 2.424 256 W HA -0.011 4.691 4.660 0.070 0.000 0.264 256 W C 1.771 178.317 176.519 0.046 0.000 1.229 256 W CA 0.759 58.137 57.345 0.055 0.000 1.208 256 W CB -0.694 28.790 29.460 0.040 0.000 1.127 256 W HN 0.313 nan 8.180 nan 0.000 0.588 257 R N 0.757 120.933 120.500 -0.541 0.000 2.334 257 R HA 0.260 4.641 4.340 0.068 0.000 0.216 257 R C 1.612 177.759 176.300 -0.254 0.000 0.905 257 R CA 0.832 56.612 56.100 -0.533 0.000 1.064 257 R CB -0.302 29.463 30.300 -0.891 0.000 1.046 257 R HN 0.161 nan 8.270 nan 0.000 0.508 258 G N -0.258 108.451 108.800 -0.152 0.000 2.179 258 G HA2 -0.259 3.742 3.960 0.068 0.000 0.220 258 G HA3 -0.259 3.742 3.960 0.068 0.000 0.220 258 G C 0.123 174.973 174.900 -0.083 0.000 0.990 258 G CA -0.047 44.995 45.100 -0.097 0.000 0.646 258 G HN 0.540 nan 8.290 nan 0.000 0.517 259 A N 0.063 122.843 122.820 -0.066 0.000 2.520 259 A HA 0.542 4.902 4.320 0.068 0.000 0.235 259 A C 0.510 178.075 177.584 -0.032 0.000 1.065 259 A CA 0.659 52.678 52.037 -0.030 0.000 0.764 259 A CB 0.275 19.301 19.000 0.044 0.000 1.002 259 A HN 0.362 nan 8.150 nan 0.000 0.502 260 Q N 2.440 122.207 119.800 -0.055 0.000 2.456 260 Q HA 0.276 4.657 4.340 0.068 0.000 0.252 260 Q C 0.862 176.836 176.000 -0.043 0.000 1.042 260 Q CA -0.365 55.405 55.803 -0.055 0.000 0.766 260 Q CB 1.249 29.933 28.738 -0.090 0.000 1.196 260 Q HN 0.551 nan 8.270 nan 0.000 0.504 261 V N 1.520 121.425 119.914 -0.016 0.000 2.568 261 V HA -0.255 3.906 4.120 0.068 0.000 0.253 261 V C 2.021 178.119 176.094 0.007 0.000 1.072 261 V CA 2.049 64.347 62.300 -0.002 0.000 1.084 261 V CB -0.420 31.404 31.823 0.001 0.000 0.676 261 V HN 0.660 nan 8.190 nan 0.000 0.469 262 E N 0.456 120.651 120.200 -0.009 0.000 2.478 262 E HA -0.181 4.210 4.350 0.068 0.000 0.198 262 E C 1.439 178.038 176.600 -0.002 0.000 1.046 262 E CA 0.868 57.265 56.400 -0.004 0.000 0.870 262 E CB -0.865 28.823 29.700 -0.019 0.000 0.818 262 E HN 0.742 nan 8.360 nan 0.000 0.527 263 N N 0.853 119.541 118.700 -0.020 0.000 2.289 263 N HA -0.067 4.714 4.740 0.068 0.000 0.184 263 N C 1.892 177.605 175.510 0.338 0.000 1.016 263 N CA 0.737 53.790 53.050 0.006 0.000 0.872 263 N CB -0.086 38.344 38.487 -0.096 0.000 0.973 263 N HN 0.187 nan 8.380 nan 0.000 0.433 264 I N 0.550 121.297 120.570 0.296 0.000 2.202 264 I HA -0.249 3.961 4.170 0.068 0.000 0.242 264 I C 2.567 178.847 176.117 0.272 0.000 1.091 264 I CA 1.004 62.498 61.300 0.324 0.000 1.368 264 I CB -0.112 38.006 38.000 0.196 0.000 1.058 264 I HN 0.123 nan 8.210 nan 0.000 0.410 265 Q N 1.276 121.182 119.800 0.177 0.000 2.119 265 Q HA -0.169 4.212 4.340 0.068 0.000 0.201 265 Q C 2.170 178.276 176.000 0.177 0.000 0.972 265 Q CA 1.601 57.494 55.803 0.149 0.000 0.847 265 Q CB -0.105 28.684 28.738 0.085 0.000 0.903 265 Q HN 0.304 nan 8.270 nan 0.000 0.433 266 R N -0.931 119.663 120.500 0.157 0.000 2.091 266 R HA -0.144 4.237 4.340 0.068 0.000 0.238 266 R C 2.162 178.717 176.300 0.425 0.000 1.136 266 R CA 1.397 57.589 56.100 0.152 0.000 0.959 266 R CB -0.641 29.566 30.300 -0.154 0.000 0.856 266 R HN 0.327 nan 8.270 nan 0.000 0.437 267 F N 1.767 121.977 119.950 0.433 0.000 2.091 267 F HA -0.221 4.346 4.527 0.068 0.000 0.299 267 F C 1.944 177.946 175.800 0.336 0.000 1.103 267 F CA 1.553 59.815 58.000 0.435 0.000 1.228 267 F CB -0.193 38.837 39.000 0.051 0.000 0.984 267 F HN -0.091 nan 8.300 nan 0.000 0.477 268 L N 0.107 121.516 121.223 0.309 0.000 2.131 268 L HA -0.241 4.139 4.340 0.068 0.000 0.210 268 L C 2.042 178.963 176.870 0.085 0.000 1.092 268 L CA 1.112 56.042 54.840 0.150 0.000 0.759 268 L CB -0.804 41.356 42.059 0.169 0.000 0.903 268 L HN 0.200 nan 8.230 nan 0.000 0.435 269 N N -0.246 118.529 118.700 0.124 0.000 2.270 269 N HA -0.132 4.648 4.740 0.068 0.000 0.181 269 N C 1.153 176.697 175.510 0.056 0.000 1.016 269 N CA 1.116 54.216 53.050 0.083 0.000 0.870 269 N CB -0.129 38.411 38.487 0.087 0.000 0.979 269 N HN 0.336 nan 8.380 nan 0.000 0.431 270 D N -0.953 119.510 120.400 0.105 0.000 2.392 270 D HA 0.078 4.759 4.640 0.068 0.000 0.206 270 D C -0.435 175.639 176.300 -0.378 0.000 1.046 270 D CA 0.176 54.150 54.000 -0.044 0.000 0.865 270 D CB 0.185 41.034 40.800 0.081 0.000 0.969 270 D HN 0.114 nan 8.370 nan 0.000 0.509 271 F N 0.997 120.775 119.950 -0.286 0.000 2.359 271 F HA 0.303 4.871 4.527 0.068 0.000 0.370 271 F C -1.541 174.109 175.800 -0.251 0.000 1.077 271 F CA -2.329 55.446 58.000 -0.375 0.000 1.136 271 F CB 1.712 40.206 39.000 -0.844 0.000 1.387 271 F HN -0.250 nan 8.300 nan 0.000 0.468 272 P HA -0.225 nan 4.420 nan 0.000 0.217 272 P C 1.957 179.248 177.300 -0.014 0.000 1.158 272 P CA 1.931 65.006 63.100 -0.042 0.000 0.887 272 P CB 0.099 31.768 31.700 -0.050 0.000 0.792 273 G N -0.150 108.651 108.800 0.000 0.000 2.581 273 G HA2 -0.228 3.773 3.960 0.068 0.000 0.223 273 G HA3 -0.228 3.773 3.960 0.068 0.000 0.223 273 G C 0.693 175.606 174.900 0.022 0.000 1.094 273 G CA 0.698 45.809 45.100 0.017 0.000 0.736 273 G HN 0.583 nan 8.290 nan 0.000 0.588 274 A N 0.850 123.675 122.820 0.010 0.000 2.376 274 A HA 0.540 4.900 4.320 0.068 0.000 0.298 274 A C 0.457 178.084 177.584 0.072 0.000 1.271 274 A CA -0.341 51.718 52.037 0.036 0.000 0.926 274 A CB 0.026 18.988 19.000 -0.063 0.000 1.141 274 A HN 0.606 nan 8.150 nan 0.000 0.539 275 E N 1.365 121.611 120.200 0.078 0.000 2.239 275 E HA 0.625 5.016 4.350 0.068 0.000 0.261 275 E C -0.388 176.256 176.600 0.073 0.000 1.016 275 E CA -0.785 55.653 56.400 0.064 0.000 0.882 275 E CB 1.231 30.955 29.700 0.040 0.000 1.190 275 E HN 0.322 nan 8.360 nan 0.000 0.415 276 T N 0.833 115.418 114.554 0.052 0.000 2.807 276 T HA 0.498 4.889 4.350 0.068 0.000 0.279 276 T C -0.898 173.815 174.700 0.022 0.000 0.993 276 T CA -0.689 61.436 62.100 0.041 0.000 0.970 276 T CB 0.300 69.196 68.868 0.047 0.000 0.950 276 T HN 0.446 nan 8.240 nan 0.000 0.441 277 I N 4.726 125.300 120.570 0.008 0.000 2.389 277 I HA 0.462 4.672 4.170 0.068 0.000 0.288 277 I C -0.073 176.047 176.117 0.005 0.000 0.999 277 I CA -0.975 60.327 61.300 0.002 0.000 1.129 277 I CB 1.684 39.676 38.000 -0.013 0.000 1.288 277 I HN 0.478 nan 8.210 nan 0.000 0.444 278 R N 6.211 126.723 120.500 0.019 0.000 2.308 278 R HA 0.550 4.931 4.340 0.068 0.000 0.305 278 R C -0.983 175.336 176.300 0.032 0.000 1.053 278 R CA -0.259 55.857 56.100 0.027 0.000 0.957 278 R CB 0.734 31.059 30.300 0.042 0.000 1.022 278 R HN 0.521 nan 8.270 nan 0.000 0.461 279 L N 3.282 124.516 121.223 0.019 0.000 2.272 279 L HA 0.304 4.685 4.340 0.068 0.000 0.284 279 L C 0.564 177.434 176.870 0.000 0.000 1.045 279 L CA 0.013 54.860 54.840 0.011 0.000 0.842 279 L CB 1.221 43.275 42.059 -0.009 0.000 1.224 279 L HN 0.737 nan 8.230 nan 0.000 0.430 280 E N 1.062 121.279 120.200 0.028 0.000 2.431 280 E HA -0.001 4.390 4.350 0.068 0.000 0.200 280 E C 0.410 176.847 176.600 -0.272 0.000 0.995 280 E CA -0.083 56.329 56.400 0.019 0.000 0.915 280 E CB 0.690 30.527 29.700 0.227 0.000 0.930 280 E HN 0.536 nan 8.360 nan 0.000 0.496 281 Q N 2.072 121.586 119.800 -0.477 0.000 2.295 281 Q HA 0.054 4.434 4.340 0.068 0.000 0.259 281 Q C -0.709 174.750 176.000 -0.901 0.000 0.976 281 Q CA -0.211 54.893 55.803 -1.165 0.000 0.923 281 Q CB 0.538 28.638 28.738 -1.063 0.000 1.185 281 Q HN -0.017 nan 8.270 nan 0.000 0.410 282 N N 3.901 122.031 118.700 -0.950 0.000 2.405 282 N HA 0.131 4.912 4.740 0.068 0.000 0.299 282 N C -1.226 173.836 175.510 -0.747 0.000 1.075 282 N CA -0.239 52.452 53.050 -0.599 0.000 0.884 282 N CB 0.812 39.081 38.487 -0.365 0.000 1.194 282 N HN 0.667 nan 8.380 nan 0.000 0.491 283 Y N 1.532 121.712 120.300 -0.200 0.000 2.660 283 Y HA 0.319 4.909 4.550 0.067 0.000 0.254 283 Y C 1.802 177.632 175.900 -0.117 0.000 1.176 283 Y CA -0.384 57.622 58.100 -0.157 0.000 1.195 283 Y CB 0.504 38.880 38.460 -0.139 0.000 1.190 283 Y HN 0.568 nan 8.280 nan 0.000 0.535 284 R N -0.187 120.294 120.500 -0.032 0.000 2.140 284 R HA 0.180 4.561 4.340 0.068 0.000 0.200 284 R C 0.779 177.046 176.300 -0.056 0.000 1.069 284 R CA 0.762 56.838 56.100 -0.041 0.000 1.088 284 R CB 0.273 30.532 30.300 -0.067 0.000 1.012 284 R HN 0.156 nan 8.270 nan 0.000 0.500 285 S N 0.012 115.662 115.700 -0.084 0.000 2.664 285 S HA 0.366 4.877 4.470 0.068 0.000 0.304 285 S C -0.075 174.484 174.600 -0.068 0.000 1.099 285 S CA -0.443 57.710 58.200 -0.079 0.000 1.003 285 S CB 1.647 64.788 63.200 -0.099 0.000 1.092 285 S HN 0.337 nan 8.310 nan 0.000 0.525 286 T N 0.104 114.629 114.554 -0.049 0.000 2.788 286 T HA 0.320 4.711 4.350 0.068 0.000 0.280 286 T C 1.543 176.227 174.700 -0.027 0.000 0.984 286 T CA 0.005 62.087 62.100 -0.030 0.000 0.972 286 T CB 0.668 69.526 68.868 -0.017 0.000 1.039 286 T HN 1.045 nan 8.240 nan 0.000 0.530 287 S N 0.298 115.994 115.700 -0.006 0.000 2.428 287 S HA -0.159 4.351 4.470 0.068 0.000 0.230 287 S C 1.852 176.457 174.600 0.009 0.000 1.014 287 S CA 1.085 59.292 58.200 0.011 0.000 0.957 287 S CB -0.905 62.318 63.200 0.037 0.000 0.784 287 S HN 0.775 nan 8.310 nan 0.000 0.499 288 N N 1.786 120.488 118.700 0.004 0.000 2.084 288 N HA 0.039 4.820 4.740 0.068 0.000 0.190 288 N C 1.552 177.059 175.510 -0.006 0.000 1.030 288 N CA 1.828 54.880 53.050 0.004 0.000 0.849 288 N CB -0.563 37.926 38.487 0.004 0.000 1.012 288 N HN 0.543 nan 8.380 nan 0.000 0.423 289 I N -0.155 120.402 120.570 -0.022 0.000 2.226 289 I HA -0.245 3.966 4.170 0.068 0.000 0.245 289 I C 1.641 177.734 176.117 -0.040 0.000 1.100 289 I CA 0.548 61.824 61.300 -0.039 0.000 1.374 289 I CB -0.184 37.779 38.000 -0.061 0.000 1.057 289 I HN 0.208 nan 8.210 nan 0.000 0.413 290 L N 0.068 121.269 121.223 -0.035 0.000 2.046 290 L HA -0.197 4.184 4.340 0.068 0.000 0.208 290 L C 2.761 179.640 176.870 0.014 0.000 1.077 290 L CA 1.858 56.682 54.840 -0.026 0.000 0.747 290 L CB -1.675 40.371 42.059 -0.022 0.000 0.896 290 L HN 0.259 nan 8.230 nan 0.000 0.432 291 S N -0.436 115.277 115.700 0.022 0.000 2.370 291 S HA -0.212 4.298 4.470 0.068 0.000 0.226 291 S C 2.140 176.760 174.600 0.033 0.000 1.033 291 S CA 1.449 59.669 58.200 0.033 0.000 1.011 291 S CB -0.060 63.156 63.200 0.028 0.000 0.852 291 S HN 0.439 nan 8.310 nan 0.000 0.457 292 A N 1.422 124.255 122.820 0.022 0.000 1.898 292 A HA 0.278 4.638 4.320 0.068 0.000 0.216 292 A C 2.537 180.147 177.584 0.044 0.000 1.181 292 A CA 1.796 53.848 52.037 0.026 0.000 0.620 292 A CB -1.524 17.483 19.000 0.012 0.000 0.819 292 A HN 0.822 nan 8.150 nan 0.000 0.442 293 A N 0.574 123.415 122.820 0.034 0.000 1.873 293 A HA -0.276 4.085 4.320 0.068 0.000 0.218 293 A C 1.964 179.692 177.584 0.240 0.000 1.193 293 A CA 2.092 54.189 52.037 0.100 0.000 0.629 293 A CB -0.784 18.174 19.000 -0.071 0.000 0.826 293 A HN 0.546 nan 8.150 nan 0.000 0.447 294 N N 0.174 118.969 118.700 0.159 0.000 2.104 294 N HA -0.118 4.663 4.740 0.068 0.000 0.190 294 N C 1.880 177.436 175.510 0.077 0.000 1.024 294 N CA 1.722 54.853 53.050 0.135 0.000 0.853 294 N CB -0.606 37.934 38.487 0.089 0.000 1.008 294 N HN 0.503 nan 8.380 nan 0.000 0.424 295 A N 0.957 123.814 122.820 0.061 0.000 1.872 295 A HA -0.035 4.326 4.320 0.068 0.000 0.214 295 A C 2.244 179.846 177.584 0.029 0.000 1.187 295 A CA 0.805 52.863 52.037 0.035 0.000 0.614 295 A CB -0.791 18.228 19.000 0.031 0.000 0.826 295 A HN 0.235 nan 8.150 nan 0.000 0.442 296 L N -0.338 120.913 121.223 0.047 0.000 1.978 296 L HA -0.205 4.176 4.340 0.068 0.000 0.218 296 L C 2.166 179.026 176.870 -0.016 0.000 1.075 296 L CA 2.453 57.313 54.840 0.034 0.000 0.767 296 L CB -0.539 41.551 42.059 0.051 0.000 0.890 296 L HN 0.332 nan 8.230 nan 0.000 0.434 297 I N 0.193 120.733 120.570 -0.049 0.000 2.614 297 I HA -0.194 4.016 4.170 0.068 0.000 0.258 297 I C 2.251 178.283 176.117 -0.142 0.000 1.189 297 I CA 1.143 62.317 61.300 -0.210 0.000 1.462 297 I CB -0.667 36.983 38.000 -0.585 0.000 1.092 297 I HN 0.456 nan 8.210 nan 0.000 0.442 298 E N 0.197 120.353 120.200 -0.073 0.000 2.267 298 E HA -0.227 4.163 4.350 0.068 0.000 0.197 298 E C 1.355 177.932 176.600 -0.038 0.000 0.998 298 E CA 0.892 57.263 56.400 -0.048 0.000 0.830 298 E CB -0.701 28.986 29.700 -0.021 0.000 0.751 298 E HN 0.642 nan 8.360 nan 0.000 0.491 299 N N 1.196 119.878 118.700 -0.030 0.000 2.512 299 N HA -0.039 4.741 4.740 0.068 0.000 0.183 299 N C 0.258 175.759 175.510 -0.016 0.000 1.073 299 N CA 0.295 53.339 53.050 -0.010 0.000 0.911 299 N CB 0.002 38.501 38.487 0.019 0.000 0.964 299 N HN 0.119 nan 8.380 nan 0.000 0.447 300 N N 0.989 119.662 118.700 -0.044 0.000 2.513 300 N HA 0.139 4.919 4.740 0.068 0.000 0.274 300 N C 0.862 176.350 175.510 -0.037 0.000 1.189 300 N CA -0.186 52.837 53.050 -0.044 0.000 0.975 300 N CB 0.683 39.124 38.487 -0.078 0.000 1.157 300 N HN 0.019 nan 8.380 nan 0.000 0.465 301 N N -0.347 118.339 118.700 -0.024 0.000 2.482 301 N HA 0.049 4.829 4.740 0.068 0.000 0.179 301 N C 0.595 176.094 175.510 -0.018 0.000 1.039 301 N CA 0.338 53.377 53.050 -0.018 0.000 0.884 301 N CB 0.111 38.593 38.487 -0.008 0.000 1.113 301 N HN 0.545 nan 8.380 nan 0.000 0.440 302 G N 2.241 111.030 108.800 -0.018 0.000 3.343 302 G HA2 0.277 4.277 3.960 0.068 0.000 0.264 302 G HA3 0.277 4.277 3.960 0.068 0.000 0.264 302 G C -0.110 174.779 174.900 -0.019 0.000 0.884 302 G CA -0.363 44.730 45.100 -0.011 0.000 1.916 302 G HN 0.239 nan 8.290 nan 0.000 0.618 303 R N 0.599 121.086 120.500 -0.022 0.000 2.668 303 R HA 0.423 4.804 4.340 0.068 0.000 0.272 303 R C -0.005 176.285 176.300 -0.016 0.000 1.019 303 R CA -1.052 55.030 56.100 -0.030 0.000 0.894 303 R CB 1.020 31.281 30.300 -0.066 0.000 1.228 303 R HN 0.043 nan 8.270 nan 0.000 0.460 304 L N 1.109 122.328 121.223 -0.007 0.000 2.093 304 L HA 0.125 4.505 4.340 0.068 0.000 0.208 304 L C 0.976 177.845 176.870 -0.002 0.000 1.085 304 L CA 1.540 56.383 54.840 0.005 0.000 0.755 304 L CB -0.614 41.456 42.059 0.019 0.000 0.904 304 L HN 1.111 nan 8.230 nan 0.000 0.435 305 G N 0.853 109.643 108.800 -0.017 0.000 2.719 305 G HA2 -0.091 3.909 3.960 0.068 0.000 0.686 305 G HA3 -0.091 3.909 3.960 0.068 0.000 0.686 305 G C -0.822 174.079 174.900 0.002 0.000 1.201 305 G CA -0.143 44.947 45.100 -0.017 0.000 0.768 305 G HN 0.476 nan 8.290 nan 0.000 0.629 306 K N -0.734 119.672 120.400 0.010 0.000 2.680 306 K HA 0.797 5.157 4.320 0.068 0.000 0.295 306 K C -1.259 175.374 176.600 0.055 0.000 1.052 306 K CA -1.238 55.072 56.287 0.038 0.000 0.863 306 K CB 1.526 34.056 32.500 0.051 0.000 1.549 306 K HN 0.733 nan 8.250 nan 0.000 0.391 307 K N 2.103 122.555 120.400 0.086 0.000 2.690 307 K HA 0.311 4.672 4.320 0.068 0.000 0.243 307 K C -1.140 175.561 176.600 0.169 0.000 0.982 307 K CA -0.612 55.739 56.287 0.107 0.000 0.955 307 K CB 0.973 33.521 32.500 0.080 0.000 1.185 307 K HN 0.624 nan 8.250 nan 0.000 0.467 308 L N 4.784 126.088 121.223 0.135 0.000 2.461 308 L HA 0.357 4.737 4.340 0.068 0.000 0.272 308 L C 0.080 177.049 176.870 0.165 0.000 1.197 308 L CA -0.076 54.818 54.840 0.090 0.000 0.836 308 L CB 0.172 42.241 42.059 0.017 0.000 1.105 308 L HN 0.637 nan 8.230 nan 0.000 0.477 309 W N 1.551 122.805 121.300 -0.076 0.000 3.137 309 W HA 0.626 5.326 4.660 0.067 0.000 0.324 309 W C -1.497 174.939 176.519 -0.138 0.000 1.253 309 W CA -0.827 56.467 57.345 -0.086 0.000 1.183 309 W CB 1.498 30.917 29.460 -0.069 0.000 1.424 309 W HN 0.437 nan 8.180 nan 0.000 0.566 310 T N 0.808 115.352 114.554 -0.018 0.000 2.900 310 T HA 0.198 4.589 4.350 0.068 0.000 0.303 310 T C 0.066 174.779 174.700 0.021 0.000 1.142 310 T CA -0.167 61.752 62.100 -0.302 0.000 1.007 310 T CB 1.472 70.193 68.868 -0.245 0.000 1.156 310 T HN 0.487 nan 8.240 nan 0.000 0.490 311 D N 1.335 121.682 120.400 -0.088 0.000 2.328 311 D HA 0.213 4.893 4.640 0.068 0.000 0.221 311 D C 0.997 177.320 176.300 0.038 0.000 1.072 311 D CA -0.227 53.828 54.000 0.092 0.000 0.850 311 D CB -0.226 40.655 40.800 0.135 0.000 0.922 311 D HN 0.570 nan 8.370 nan 0.000 0.516 312 G N 0.049 108.841 108.800 -0.014 0.000 2.509 312 G HA2 0.496 4.497 3.960 0.068 0.000 0.269 312 G HA3 0.496 4.497 3.960 0.068 0.000 0.269 312 G C -0.097 174.813 174.900 0.016 0.000 1.416 312 G CA -0.291 44.812 45.100 0.003 0.000 1.052 312 G HN 0.337 nan 8.290 nan 0.000 0.542 313 A N -0.788 122.041 122.820 0.015 0.000 2.520 313 A HA 0.256 4.616 4.320 0.068 0.000 0.235 313 A C 1.239 178.833 177.584 0.018 0.000 1.065 313 A CA 0.394 52.443 52.037 0.020 0.000 0.764 313 A CB 0.029 19.042 19.000 0.022 0.000 1.002 313 A HN 0.538 nan 8.150 nan 0.000 0.502 314 D N 0.760 121.173 120.400 0.023 0.000 2.097 314 D HA 0.238 4.919 4.640 0.068 0.000 0.195 314 D C 1.206 177.516 176.300 0.015 0.000 0.989 314 D CA 2.092 56.105 54.000 0.022 0.000 0.827 314 D CB -0.440 40.373 40.800 0.023 0.000 0.966 314 D HN 1.416 nan 8.370 nan 0.000 0.456 315 G N 0.412 109.222 108.800 0.016 0.000 2.675 315 G HA2 -0.111 3.890 3.960 0.068 0.000 0.686 315 G HA3 -0.111 3.890 3.960 0.068 0.000 0.686 315 G C -0.837 174.072 174.900 0.015 0.000 1.215 315 G CA -0.612 44.495 45.100 0.012 0.000 0.777 315 G HN 0.106 nan 8.290 nan 0.000 0.638 316 E N 1.547 121.756 120.200 0.015 0.000 2.425 316 E HA 0.432 4.823 4.350 0.068 0.000 0.258 316 E C -1.887 174.720 176.600 0.011 0.000 1.151 316 E CA -0.627 55.783 56.400 0.018 0.000 0.958 316 E CB 0.111 29.823 29.700 0.020 0.000 0.968 316 E HN 0.486 nan 8.360 nan 0.000 0.451 317 P HA 0.014 nan 4.420 nan 0.000 0.270 317 P C -0.487 176.820 177.300 0.012 0.000 1.223 317 P CA 0.061 63.173 63.100 0.020 0.000 0.785 317 P CB 0.419 32.140 31.700 0.034 0.000 0.923 318 I N 0.965 121.543 120.570 0.013 0.000 2.452 318 I HA 0.026 4.236 4.170 0.068 0.000 0.287 318 I C 0.655 176.797 176.117 0.043 0.000 1.079 318 I CA 0.310 61.616 61.300 0.010 0.000 1.387 318 I CB 0.208 38.217 38.000 0.014 0.000 1.404 318 I HN 0.238 nan 8.210 nan 0.000 0.522 319 S N 6.808 122.540 115.700 0.053 0.000 2.565 319 S HA 0.434 4.944 4.470 0.068 0.000 0.276 319 S C -0.419 174.273 174.600 0.152 0.000 1.326 319 S CA -0.428 57.843 58.200 0.118 0.000 1.045 319 S CB 1.026 64.322 63.200 0.161 0.000 0.918 319 S HN 0.363 nan 8.310 nan 0.000 0.505 320 L N 4.177 125.500 121.223 0.167 0.000 2.381 320 L HA 0.635 5.016 4.340 0.068 0.000 0.274 320 L C -1.572 175.408 176.870 0.182 0.000 0.988 320 L CA -0.560 54.390 54.840 0.183 0.000 0.824 320 L CB 1.359 43.513 42.059 0.157 0.000 1.263 320 L HN 0.664 nan 8.230 nan 0.000 0.410 321 Y N 4.884 125.154 120.300 -0.050 0.000 2.391 321 Y HA 0.487 5.044 4.550 0.011 0.000 0.341 321 Y C -0.883 174.775 175.900 -0.403 0.000 0.965 321 Y CA -0.979 56.925 58.100 -0.327 0.000 1.067 321 Y CB 1.619 39.540 38.460 -0.899 0.000 1.199 321 Y HN 0.826 nan 8.280 nan 0.000 0.450 322 C N 7.108 125.785 119.300 -1.038 0.000 2.246 322 C HA 0.879 5.380 4.460 0.068 0.000 0.329 322 C C 0.247 174.403 174.990 -1.389 0.000 1.221 322 C CA -0.344 57.912 59.018 -1.270 0.000 1.697 322 C CB -1.947 25.330 27.740 -0.772 0.000 2.312 322 C HN 0.931 nan 8.230 nan 0.000 0.509 323 A N 5.000 127.193 122.820 -1.046 0.000 2.316 323 A HA 0.508 4.868 4.320 0.068 0.000 0.284 323 A C 0.391 177.806 177.584 -0.281 0.000 1.115 323 A CA -0.489 51.225 52.037 -0.538 0.000 0.812 323 A CB 0.155 19.059 19.000 -0.160 0.000 1.064 323 A HN 0.980 nan 8.150 nan 0.000 0.489 324 F N 1.693 121.505 119.950 -0.231 0.000 2.186 324 F HA -0.021 4.521 4.527 0.025 0.000 0.299 324 F C 0.864 176.586 175.800 -0.130 0.000 1.090 324 F CA 1.881 59.786 58.000 -0.158 0.000 1.307 324 F CB 0.001 38.941 39.000 -0.099 0.000 1.019 324 F HN 0.817 nan 8.300 nan 0.000 0.489 325 N N -1.651 116.983 118.700 -0.111 0.000 3.277 325 N HA 0.070 4.850 4.740 0.068 0.000 0.278 325 N C 0.172 175.643 175.510 -0.064 0.000 1.544 325 N CA -0.039 52.907 53.050 -0.173 0.000 0.869 325 N CB -0.102 38.281 38.487 -0.174 0.000 1.584 325 N HN 0.008 nan 8.380 nan 0.000 0.564 326 E N 0.005 120.166 120.200 -0.066 0.000 2.274 326 E HA -0.046 4.345 4.350 0.068 0.000 0.194 326 E C 0.909 177.499 176.600 -0.016 0.000 0.996 326 E CA 0.888 57.265 56.400 -0.039 0.000 0.840 326 E CB -0.251 29.414 29.700 -0.058 0.000 0.772 326 E HN 0.653 nan 8.360 nan 0.000 0.491 327 L N 0.968 122.188 121.223 -0.006 0.000 2.127 327 L HA -0.066 4.315 4.340 0.068 0.000 0.203 327 L C 2.566 179.463 176.870 0.046 0.000 1.080 327 L CA 1.157 56.002 54.840 0.008 0.000 0.768 327 L CB -0.478 41.585 42.059 0.008 0.000 0.924 327 L HN 0.065 nan 8.230 nan 0.000 0.444 328 D N 0.734 121.181 120.400 0.079 0.000 2.116 328 D HA -0.291 4.390 4.640 0.068 0.000 0.193 328 D C 2.013 178.430 176.300 0.195 0.000 0.998 328 D CA 1.685 55.770 54.000 0.142 0.000 0.836 328 D CB 0.129 41.028 40.800 0.165 0.000 0.951 328 D HN 0.365 nan 8.370 nan 0.000 0.449 329 E N -0.429 119.861 120.200 0.151 0.000 2.051 329 E HA -0.178 4.213 4.350 0.068 0.000 0.192 329 E C 2.011 178.707 176.600 0.159 0.000 0.991 329 E CA 1.190 57.704 56.400 0.190 0.000 0.799 329 E CB -0.205 29.557 29.700 0.105 0.000 0.748 329 E HN 0.287 nan 8.360 nan 0.000 0.449 330 A N 1.273 124.132 122.820 0.064 0.000 1.933 330 A HA -0.175 4.186 4.320 0.068 0.000 0.218 330 A C 2.202 179.778 177.584 -0.013 0.000 1.175 330 A CA 1.494 53.531 52.037 -0.001 0.000 0.628 330 A CB -0.524 18.450 19.000 -0.044 0.000 0.814 330 A HN 0.217 nan 8.150 nan 0.000 0.444 331 R N -1.678 118.837 120.500 0.025 0.000 2.081 331 R HA -0.140 4.241 4.340 0.068 0.000 0.235 331 R C 1.962 178.252 176.300 -0.016 0.000 1.131 331 R CA 1.756 57.858 56.100 0.003 0.000 0.960 331 R CB -0.446 29.877 30.300 0.038 0.000 0.856 331 R HN 0.525 nan 8.270 nan 0.000 0.436 332 F N 0.683 120.556 119.950 -0.128 0.000 2.069 332 F HA -0.227 4.333 4.527 0.055 0.000 0.298 332 F C 1.894 177.552 175.800 -0.237 0.000 1.113 332 F CA 1.653 59.507 58.000 -0.244 0.000 1.214 332 F CB -0.504 38.240 39.000 -0.426 0.000 0.978 332 F HN -0.195 nan 8.300 nan 0.000 0.474 333 V N -0.085 119.708 119.914 -0.202 0.000 2.287 333 V HA -0.316 3.845 4.120 0.068 0.000 0.248 333 V C 2.442 178.182 176.094 -0.589 0.000 1.053 333 V CA 1.740 63.734 62.300 -0.510 0.000 1.027 333 V CB -0.892 30.715 31.823 -0.361 0.000 0.646 333 V HN 0.325 nan 8.190 nan 0.000 0.447 334 V N 0.683 120.386 119.914 -0.351 0.000 2.332 334 V HA -0.261 3.899 4.120 0.068 0.000 0.248 334 V C 2.313 178.255 176.094 -0.252 0.000 1.055 334 V CA 2.187 64.325 62.300 -0.270 0.000 1.038 334 V CB -0.847 30.879 31.823 -0.162 0.000 0.651 334 V HN 0.585 nan 8.190 nan 0.000 0.450 335 N N -0.003 118.532 118.700 -0.274 0.000 2.188 335 N HA -0.099 4.682 4.740 0.068 0.000 0.184 335 N C 1.948 177.302 175.510 -0.260 0.000 1.018 335 N CA 0.909 53.820 53.050 -0.232 0.000 0.858 335 N CB -0.312 38.046 38.487 -0.215 0.000 0.989 335 N HN 0.401 nan 8.380 nan 0.000 0.426 336 R N 0.963 121.207 120.500 -0.426 0.000 2.081 336 R HA 0.040 4.421 4.340 0.068 0.000 0.235 336 R C 2.270 178.523 176.300 -0.078 0.000 1.131 336 R CA 0.568 56.498 56.100 -0.283 0.000 0.960 336 R CB -0.848 29.252 30.300 -0.333 0.000 0.856 336 R HN 0.344 nan 8.270 nan 0.000 0.436 337 I N 1.038 121.500 120.570 -0.180 0.000 2.315 337 I HA -0.236 3.974 4.170 0.068 0.000 0.248 337 I C 2.314 178.483 176.117 0.087 0.000 1.117 337 I CA 1.203 62.496 61.300 -0.012 0.000 1.404 337 I CB -0.268 37.648 38.000 -0.141 0.000 1.071 337 I HN 0.107 nan 8.210 nan 0.000 0.419 338 K N 0.385 120.780 120.400 -0.009 0.000 2.044 338 K HA -0.196 4.165 4.320 0.068 0.000 0.210 338 K C 2.130 178.755 176.600 0.041 0.000 1.049 338 K CA 2.124 58.417 56.287 0.010 0.000 0.927 338 K CB -0.384 32.096 32.500 -0.032 0.000 0.713 338 K HN 0.315 nan 8.250 nan 0.000 0.443 339 T N 0.564 115.144 114.554 0.043 0.000 2.708 339 T HA -0.199 4.192 4.350 0.068 0.000 0.266 339 T C 1.202 175.975 174.700 0.122 0.000 1.037 339 T CA 1.235 63.371 62.100 0.060 0.000 1.146 339 T CB -0.293 68.604 68.868 0.048 0.000 0.865 339 T HN 0.482 nan 8.240 nan 0.000 0.435 340 W N 1.988 123.287 121.300 -0.001 0.000 2.358 340 W HA -0.169 4.531 4.660 0.066 0.000 0.303 340 W C 2.125 178.653 176.519 0.015 0.000 1.208 340 W CA 1.501 58.859 57.345 0.021 0.000 1.274 340 W CB -0.321 29.172 29.460 0.055 0.000 1.138 340 W HN 0.344 nan 8.180 nan 0.000 0.515 341 Q N 0.313 120.164 119.800 0.084 0.000 2.083 341 Q HA -0.182 4.198 4.340 0.068 0.000 0.198 341 Q C 1.695 177.638 176.000 -0.095 0.000 0.969 341 Q CA 1.843 57.625 55.803 -0.034 0.000 0.838 341 Q CB -0.340 28.433 28.738 0.059 0.000 0.900 341 Q HN 0.020 nan 8.270 nan 0.000 0.436 342 D N 0.565 120.937 120.400 -0.047 0.000 2.218 342 D HA -0.128 4.553 4.640 0.068 0.000 0.204 342 D C 0.740 176.989 176.300 -0.085 0.000 0.976 342 D CA 1.093 55.062 54.000 -0.052 0.000 0.853 342 D CB -0.290 40.495 40.800 -0.025 0.000 0.939 342 D HN 0.430 nan 8.370 nan 0.000 0.481 343 N N -0.698 117.926 118.700 -0.125 0.000 2.461 343 N HA 0.173 4.954 4.740 0.068 0.000 0.188 343 N C 0.990 176.354 175.510 -0.243 0.000 1.134 343 N CA 0.392 53.347 53.050 -0.159 0.000 0.878 343 N CB 0.808 39.213 38.487 -0.136 0.000 0.972 343 N HN 0.164 nan 8.380 nan 0.000 0.456 344 G N -0.053 108.581 108.800 -0.276 0.000 2.168 344 G HA2 -0.178 3.822 3.960 0.068 0.000 0.197 344 G HA3 -0.178 3.822 3.960 0.068 0.000 0.197 344 G C 0.295 174.955 174.900 -0.401 0.000 0.997 344 G CA -0.392 44.549 45.100 -0.265 0.000 0.658 344 G HN 0.445 nan 8.290 nan 0.000 0.513 345 G N 0.086 108.437 108.800 -0.748 0.000 2.503 345 G HA2 0.727 4.727 3.960 0.068 0.000 0.257 345 G HA3 0.727 4.727 3.960 0.068 0.000 0.257 345 G C 0.427 175.177 174.900 -0.249 0.000 1.214 345 G CA 0.654 45.130 45.100 -1.039 0.000 0.839 345 G HN 1.471 nan 8.290 nan 0.000 0.559 346 A N 1.058 123.966 122.820 0.147 0.000 2.316 346 A HA 0.499 4.859 4.320 0.068 0.000 0.284 346 A C 1.399 179.206 177.584 0.372 0.000 1.115 346 A CA -0.650 51.521 52.037 0.223 0.000 0.812 346 A CB 0.631 19.757 19.000 0.210 0.000 1.064 346 A HN 0.679 nan 8.150 nan 0.000 0.489 347 L N 1.737 123.095 121.223 0.226 0.000 2.141 347 L HA -0.178 4.202 4.340 0.068 0.000 0.209 347 L C 2.736 179.713 176.870 0.179 0.000 1.094 347 L CA 1.539 56.499 54.840 0.200 0.000 0.763 347 L CB -0.457 41.660 42.059 0.097 0.000 0.908 347 L HN 0.845 nan 8.230 nan 0.000 0.437 348 A N -0.246 122.684 122.820 0.183 0.000 2.172 348 A HA -0.139 4.222 4.320 0.068 0.000 0.216 348 A C 1.870 179.646 177.584 0.320 0.000 1.154 348 A CA 0.951 53.118 52.037 0.217 0.000 0.701 348 A CB -0.367 18.765 19.000 0.221 0.000 0.789 348 A HN 0.468 nan 8.150 nan 0.000 0.465 349 E N -1.140 119.257 120.200 0.328 0.000 2.489 349 E HA 0.062 4.452 4.350 0.068 0.000 0.193 349 E C -0.584 176.119 176.600 0.171 0.000 1.057 349 E CA -0.342 56.266 56.400 0.348 0.000 0.866 349 E CB -0.044 29.918 29.700 0.437 0.000 0.916 349 E HN 0.533 nan 8.360 nan 0.000 0.500 350 C N 1.390 120.730 119.300 0.067 0.000 2.322 350 C HA 0.730 5.231 4.460 0.068 0.000 0.324 350 C C 0.314 175.135 174.990 -0.282 0.000 1.284 350 C CA -0.851 58.105 59.018 -0.104 0.000 1.606 350 C CB 0.478 28.193 27.740 -0.042 0.000 2.251 350 C HN 0.292 nan 8.230 nan 0.000 0.502 351 A N 4.009 126.540 122.820 -0.482 0.000 2.342 351 A HA 0.895 5.256 4.320 0.068 0.000 0.323 351 A C -0.824 176.633 177.584 -0.211 0.000 1.125 351 A CA -0.421 51.217 52.037 -0.666 0.000 0.785 351 A CB 0.592 18.671 19.000 -1.536 0.000 1.221 351 A HN 0.836 nan 8.150 nan 0.000 0.463 352 I N 2.897 123.371 120.570 -0.160 0.000 2.362 352 I HA 0.342 4.553 4.170 0.068 0.000 0.289 352 I C -0.794 175.235 176.117 -0.147 0.000 0.994 352 I CA -0.199 61.084 61.300 -0.029 0.000 1.158 352 I CB 1.335 39.336 38.000 0.000 0.000 1.315 352 I HN 0.473 nan 8.210 nan 0.000 0.451 353 L N 7.379 128.522 121.223 -0.135 0.000 2.329 353 L HA 0.584 4.964 4.340 0.068 0.000 0.279 353 L C -1.140 175.617 176.870 -0.188 0.000 1.014 353 L CA -0.968 53.683 54.840 -0.314 0.000 0.814 353 L CB 1.461 43.401 42.059 -0.199 0.000 1.257 353 L HN 0.479 nan 8.230 nan 0.000 0.424 354 Y N -0.252 120.003 120.300 -0.075 0.000 2.553 354 Y HA 0.595 5.185 4.550 0.067 0.000 0.347 354 Y C 0.425 176.207 175.900 -0.198 0.000 1.019 354 Y CA -1.543 56.493 58.100 -0.106 0.000 1.032 354 Y CB 1.045 39.465 38.460 -0.067 0.000 1.284 354 Y HN 0.369 nan 8.280 nan 0.000 0.466 355 R N 1.093 121.534 120.500 -0.099 0.000 2.073 355 R HA 0.121 4.502 4.340 0.068 0.000 0.234 355 R C -0.443 175.837 176.300 -0.033 0.000 1.134 355 R CA 1.636 57.575 56.100 -0.268 0.000 0.952 355 R CB -0.332 29.741 30.300 -0.377 0.000 0.850 355 R HN 0.702 nan 8.270 nan 0.000 0.433 356 S N -0.376 115.354 115.700 0.051 0.000 2.502 356 S HA 0.158 4.668 4.470 0.068 0.000 0.304 356 S C 0.146 174.776 174.600 0.052 0.000 1.097 356 S CA -0.391 57.829 58.200 0.033 0.000 1.045 356 S CB 1.542 64.725 63.200 -0.028 0.000 1.019 356 S HN 0.574 nan 8.310 nan 0.000 0.481 357 N N 2.357 121.097 118.700 0.068 0.000 2.364 357 N HA -0.145 4.635 4.740 0.068 0.000 0.183 357 N C 1.571 176.987 175.510 -0.157 0.000 1.022 357 N CA 0.879 53.947 53.050 0.030 0.000 0.883 357 N CB -0.091 38.470 38.487 0.123 0.000 0.965 357 N HN 0.588 nan 8.380 nan 0.000 0.438 358 A N 0.956 123.716 122.820 -0.101 0.000 2.070 358 A HA -0.177 4.183 4.320 0.068 0.000 0.220 358 A C 2.131 179.569 177.584 -0.243 0.000 1.159 358 A CA 1.052 53.038 52.037 -0.085 0.000 0.656 358 A CB -0.518 18.459 19.000 -0.038 0.000 0.800 358 A HN 0.473 nan 8.150 nan 0.000 0.453 359 Q N 0.154 119.757 119.800 -0.328 0.000 2.291 359 Q HA -0.142 4.238 4.340 0.068 0.000 0.206 359 Q C 2.273 177.924 176.000 -0.582 0.000 0.976 359 Q CA 1.510 57.072 55.803 -0.403 0.000 0.875 359 Q CB -0.278 28.275 28.738 -0.309 0.000 0.927 359 Q HN 0.892 nan 8.270 nan 0.000 0.450 360 S N 0.430 115.657 115.700 -0.787 0.000 2.423 360 S HA -0.174 4.336 4.470 0.068 0.000 0.231 360 S C 1.862 176.220 174.600 -0.403 0.000 1.014 360 S CA 0.612 58.400 58.200 -0.687 0.000 0.965 360 S CB -0.155 62.749 63.200 -0.493 0.000 0.785 360 S HN 0.302 nan 8.310 nan 0.000 0.495 361 R N 0.880 121.121 120.500 -0.433 0.000 2.094 361 R HA -0.090 4.291 4.340 0.068 0.000 0.239 361 R C 2.087 178.186 176.300 -0.335 0.000 1.137 361 R CA 2.053 57.847 56.100 -0.510 0.000 0.943 361 R CB -0.824 28.866 30.300 -1.017 0.000 0.850 361 R HN 0.415 nan 8.270 nan 0.000 0.433 362 V N 1.462 121.203 119.914 -0.289 0.000 2.490 362 V HA -0.230 3.931 4.120 0.068 0.000 0.250 362 V C 2.340 178.337 176.094 -0.162 0.000 1.061 362 V CA 1.549 63.742 62.300 -0.178 0.000 1.064 362 V CB -0.308 31.427 31.823 -0.147 0.000 0.670 362 V HN 0.313 nan 8.190 nan 0.000 0.461 363 L N -0.482 120.618 121.223 -0.205 0.000 2.027 363 L HA -0.184 4.196 4.340 0.068 0.000 0.206 363 L C 2.502 179.191 176.870 -0.301 0.000 1.074 363 L CA 1.794 56.506 54.840 -0.212 0.000 0.745 363 L CB -0.804 41.142 42.059 -0.189 0.000 0.898 363 L HN 0.312 nan 8.230 nan 0.000 0.433 364 E N -0.041 119.921 120.200 -0.396 0.000 2.097 364 E HA -0.241 4.149 4.350 0.068 0.000 0.196 364 E C 2.175 178.651 176.600 -0.205 0.000 1.000 364 E CA 1.305 57.373 56.400 -0.553 0.000 0.804 364 E CB -0.099 29.398 29.700 -0.338 0.000 0.740 364 E HN 0.445 nan 8.360 nan 0.000 0.454 365 E N 0.395 120.544 120.200 -0.085 0.000 2.077 365 E HA -0.166 4.224 4.350 0.068 0.000 0.193 365 E C 2.122 178.728 176.600 0.010 0.000 0.989 365 E CA 1.025 57.449 56.400 0.040 0.000 0.800 365 E CB -0.241 29.502 29.700 0.072 0.000 0.746 365 E HN 0.258 nan 8.360 nan 0.000 0.452 366 A N 1.236 124.026 122.820 -0.051 0.000 1.902 366 A HA -0.136 4.224 4.320 0.068 0.000 0.217 366 A C 2.395 179.950 177.584 -0.049 0.000 1.181 366 A CA 1.058 53.065 52.037 -0.050 0.000 0.623 366 A CB -0.697 18.261 19.000 -0.070 0.000 0.818 366 A HN 0.150 nan 8.150 nan 0.000 0.443 367 L N -1.143 120.027 121.223 -0.089 0.000 2.017 367 L HA -0.172 4.208 4.340 0.068 0.000 0.208 367 L C 2.542 179.451 176.870 0.065 0.000 1.073 367 L CA 1.298 56.114 54.840 -0.039 0.000 0.745 367 L CB -0.531 41.456 42.059 -0.120 0.000 0.894 367 L HN 0.482 nan 8.230 nan 0.000 0.432 368 L N -0.650 120.637 121.223 0.107 0.000 2.042 368 L HA -0.252 4.129 4.340 0.068 0.000 0.210 368 L C 2.609 179.530 176.870 0.085 0.000 1.076 368 L CA 1.768 56.694 54.840 0.143 0.000 0.749 368 L CB -0.656 41.509 42.059 0.177 0.000 0.893 368 L HN 0.273 nan 8.230 nan 0.000 0.432 369 Q N -0.504 119.333 119.800 0.062 0.000 2.170 369 Q HA -0.134 4.246 4.340 0.068 0.000 0.203 369 Q C 1.838 177.851 176.000 0.021 0.000 0.976 369 Q CA 1.553 57.379 55.803 0.038 0.000 0.858 369 Q CB -0.097 28.655 28.738 0.024 0.000 0.907 369 Q HN 0.677 nan 8.270 nan 0.000 0.433 370 A N -0.407 122.422 122.820 0.015 0.000 2.251 370 A HA 0.106 4.466 4.320 0.068 0.000 0.209 370 A C 0.762 178.354 177.584 0.015 0.000 1.187 370 A CA 0.625 52.665 52.037 0.004 0.000 0.823 370 A CB 0.164 19.155 19.000 -0.015 0.000 0.846 370 A HN 0.261 nan 8.150 nan 0.000 0.486 371 S N -1.587 114.131 115.700 0.031 0.000 3.614 371 S HA -0.199 4.311 4.470 0.068 0.000 0.360 371 S C 0.024 174.643 174.600 0.031 0.000 1.023 371 S CA 1.158 59.377 58.200 0.032 0.000 1.114 371 S CB -1.723 61.488 63.200 0.018 0.000 0.907 371 S HN 0.781 nan 8.310 nan 0.000 0.470 372 M N 1.645 121.275 119.600 0.049 0.000 2.066 372 M HA 0.357 4.878 4.480 0.068 0.000 0.340 372 M C -2.682 173.675 176.300 0.096 0.000 1.053 372 M CA -2.108 53.222 55.300 0.049 0.000 0.983 372 M CB 1.176 33.794 32.600 0.030 0.000 1.520 372 M HN -0.185 nan 8.290 nan 0.000 0.428 373 P HA 0.099 nan 4.420 nan 0.000 0.266 373 P C -1.843 175.508 177.300 0.085 0.000 1.195 373 P CA 0.385 63.488 63.100 0.004 0.000 0.768 373 P CB 0.148 31.797 31.700 -0.084 0.000 0.838 374 Y N 0.051 120.326 120.300 -0.042 0.000 2.644 374 Y HA 0.847 5.440 4.550 0.073 0.000 0.338 374 Y C -0.821 175.069 175.900 -0.016 0.000 1.119 374 Y CA -1.347 56.736 58.100 -0.028 0.000 1.060 374 Y CB 1.473 39.928 38.460 -0.009 0.000 1.294 374 Y HN 0.074 nan 8.280 nan 0.000 0.472 375 R N 1.798 122.364 120.500 0.108 0.000 2.651 375 R HA 0.459 4.840 4.340 0.068 0.000 0.278 375 R C -1.588 174.857 176.300 0.242 0.000 1.010 375 R CA -0.911 55.219 56.100 0.050 0.000 0.896 375 R CB 2.491 32.812 30.300 0.036 0.000 1.211 375 R HN 0.743 nan 8.270 nan 0.000 0.456 376 I N 2.752 123.459 120.570 0.228 0.000 2.395 376 I HA 0.176 4.386 4.170 0.068 0.000 0.289 376 I C 0.121 176.362 176.117 0.208 0.000 1.023 376 I CA -0.694 60.755 61.300 0.248 0.000 1.350 376 I CB 0.294 38.426 38.000 0.220 0.000 1.409 376 I HN 0.468 nan 8.210 nan 0.000 0.507 377 Y N 4.525 124.899 120.300 0.123 0.000 2.326 377 Y HA 0.518 5.108 4.550 0.067 0.000 0.337 377 Y C 1.143 177.111 175.900 0.112 0.000 1.023 377 Y CA 0.197 58.369 58.100 0.119 0.000 1.143 377 Y CB 1.274 39.814 38.460 0.134 0.000 1.183 377 Y HN 0.867 nan 8.280 nan 0.000 0.485 378 G N 3.079 111.544 108.800 -0.558 0.000 2.148 378 G HA2 -0.047 3.953 3.960 0.068 0.000 0.254 378 G HA3 -0.047 3.953 3.960 0.068 0.000 0.254 378 G C 0.122 174.981 174.900 -0.068 0.000 0.981 378 G CA 0.246 45.162 45.100 -0.308 0.000 0.670 378 G HN 1.525 nan 8.290 nan 0.000 0.528 379 G N -1.789 106.995 108.800 -0.027 0.000 2.606 379 G HA2 0.690 4.690 3.960 0.068 0.000 0.300 379 G HA3 0.690 4.690 3.960 0.068 0.000 0.300 379 G C -0.741 174.185 174.900 0.043 0.000 1.360 379 G CA -0.579 44.541 45.100 0.033 0.000 0.783 379 G HN 0.327 nan 8.290 nan 0.000 0.484 380 M N 0.337 119.964 119.600 0.046 0.000 2.528 380 M HA 0.516 5.037 4.480 0.068 0.000 0.318 380 M C 0.670 177.021 176.300 0.085 0.000 1.195 380 M CA -0.763 54.566 55.300 0.048 0.000 1.000 380 M CB 1.556 34.164 32.600 0.015 0.000 1.615 380 M HN 0.505 nan 8.290 nan 0.000 0.469 381 R N 0.041 120.608 120.500 0.112 0.000 2.698 381 R HA -0.034 4.346 4.340 0.068 0.000 0.266 381 R C 0.968 177.334 176.300 0.109 0.000 1.026 381 R CA 0.042 56.245 56.100 0.172 0.000 1.102 381 R CB 0.256 30.674 30.300 0.196 0.000 0.978 381 R HN 0.589 nan 8.270 nan 0.000 0.436 382 F N 2.154 122.059 119.950 -0.075 0.000 2.063 382 F HA -0.288 4.284 4.527 0.075 0.000 0.298 382 F C 1.331 176.992 175.800 -0.233 0.000 1.109 382 F CA 1.741 59.603 58.000 -0.231 0.000 1.212 382 F CB -0.173 38.563 39.000 -0.440 0.000 0.973 382 F HN 0.496 nan 8.300 nan 0.000 0.480 383 F N 0.213 120.214 119.950 0.084 0.000 2.771 383 F HA -0.028 4.538 4.527 0.066 0.000 0.299 383 F C 1.868 177.611 175.800 -0.096 0.000 1.177 383 F CA 0.659 58.631 58.000 -0.047 0.000 1.450 383 F CB -0.223 38.784 39.000 0.011 0.000 1.114 383 F HN 0.092 nan 8.300 nan 0.000 0.587 384 E N -0.249 119.983 120.200 0.053 0.000 2.481 384 E HA 0.088 4.478 4.350 0.068 0.000 0.198 384 E C 0.440 177.017 176.600 -0.038 0.000 1.027 384 E CA -0.183 56.229 56.400 0.019 0.000 0.900 384 E CB 0.353 30.076 29.700 0.038 0.000 0.993 384 E HN 0.306 nan 8.360 nan 0.000 0.482 385 R N 1.420 121.848 120.500 -0.120 0.000 2.543 385 R HA 0.056 4.436 4.340 0.068 0.000 0.277 385 R C 1.336 177.573 176.300 -0.105 0.000 1.074 385 R CA -0.154 55.864 56.100 -0.137 0.000 1.076 385 R CB 0.584 30.736 30.300 -0.246 0.000 0.993 385 R HN 0.032 nan 8.270 nan 0.000 0.459 386 Q N 2.354 122.121 119.800 -0.055 0.000 2.096 386 Q HA -0.234 4.147 4.340 0.068 0.000 0.204 386 Q C 1.835 177.843 176.000 0.015 0.000 0.982 386 Q CA 1.937 57.738 55.803 -0.003 0.000 0.850 386 Q CB 0.001 28.759 28.738 0.034 0.000 0.901 386 Q HN 0.690 nan 8.270 nan 0.000 0.422 387 E N 0.106 120.295 120.200 -0.017 0.000 2.110 387 E HA -0.168 4.223 4.350 0.068 0.000 0.193 387 E C 1.901 178.488 176.600 -0.021 0.000 0.988 387 E CA 0.920 57.329 56.400 0.015 0.000 0.804 387 E CB -0.341 29.267 29.700 -0.154 0.000 0.745 387 E HN 0.263 nan 8.360 nan 0.000 0.458 388 I N 1.751 122.239 120.570 -0.136 0.000 2.202 388 I HA -0.167 4.043 4.170 0.068 0.000 0.242 388 I C 2.446 178.566 176.117 0.004 0.000 1.091 388 I CA 1.166 62.384 61.300 -0.138 0.000 1.368 388 I CB -0.991 36.742 38.000 -0.445 0.000 1.058 388 I HN 0.091 nan 8.210 nan 0.000 0.410 389 K N 0.643 121.042 120.400 -0.001 0.000 2.103 389 K HA -0.202 4.159 4.320 0.068 0.000 0.207 389 K C 1.741 178.378 176.600 0.062 0.000 1.048 389 K CA 1.596 57.904 56.287 0.035 0.000 0.930 389 K CB -0.102 32.409 32.500 0.018 0.000 0.716 389 K HN 0.287 nan 8.250 nan 0.000 0.444 390 D N 0.424 120.873 120.400 0.081 0.000 2.097 390 D HA -0.098 4.583 4.640 0.068 0.000 0.197 390 D C 1.908 178.349 176.300 0.235 0.000 0.984 390 D CA 1.349 55.429 54.000 0.133 0.000 0.826 390 D CB -0.310 40.587 40.800 0.161 0.000 0.973 390 D HN 0.175 nan 8.370 nan 0.000 0.460 391 A N 0.972 123.918 122.820 0.210 0.000 1.892 391 A HA -0.170 4.191 4.320 0.068 0.000 0.218 391 A C 2.422 180.148 177.584 0.236 0.000 1.188 391 A CA 1.164 53.342 52.037 0.235 0.000 0.631 391 A CB -0.963 18.128 19.000 0.151 0.000 0.822 391 A HN 0.229 nan 8.150 nan 0.000 0.447 392 L N -0.542 120.791 121.223 0.184 0.000 2.079 392 L HA -0.178 4.202 4.340 0.068 0.000 0.210 392 L C 2.807 179.747 176.870 0.117 0.000 1.081 392 L CA 1.465 56.404 54.840 0.164 0.000 0.752 392 L CB -0.404 41.734 42.059 0.131 0.000 0.896 392 L HN 0.338 nan 8.230 nan 0.000 0.433 393 S N -1.473 114.278 115.700 0.085 0.000 2.402 393 S HA -0.147 4.363 4.470 0.068 0.000 0.229 393 S C 1.834 176.421 174.600 -0.021 0.000 1.021 393 S CA 0.905 59.112 58.200 0.011 0.000 0.974 393 S CB -0.249 62.924 63.200 -0.045 0.000 0.800 393 S HN 0.330 nan 8.310 nan 0.000 0.484 394 Y N 1.773 122.117 120.300 0.073 0.000 2.145 394 Y HA -0.063 4.527 4.550 0.067 0.000 0.286 394 Y C 2.080 178.003 175.900 0.039 0.000 1.145 394 Y CA 1.012 59.151 58.100 0.065 0.000 1.148 394 Y CB -0.441 38.056 38.460 0.061 0.000 0.981 394 Y HN 0.170 nan 8.280 nan 0.000 0.507 395 L N -0.672 120.669 121.223 0.197 0.000 2.131 395 L HA -0.217 4.164 4.340 0.068 0.000 0.210 395 L C 2.400 179.311 176.870 0.069 0.000 1.092 395 L CA 1.235 56.147 54.840 0.121 0.000 0.759 395 L CB -0.429 41.712 42.059 0.136 0.000 0.903 395 L HN 0.155 nan 8.230 nan 0.000 0.435 396 R N -0.715 119.819 120.500 0.056 0.000 2.092 396 R HA -0.119 4.262 4.340 0.068 0.000 0.231 396 R C 2.132 178.425 176.300 -0.011 0.000 1.119 396 R CA 0.859 56.971 56.100 0.019 0.000 0.970 396 R CB -0.200 30.108 30.300 0.014 0.000 0.864 396 R HN 0.146 nan 8.270 nan 0.000 0.440 397 L N 0.766 121.982 121.223 -0.013 0.000 2.093 397 L HA -0.087 4.294 4.340 0.068 0.000 0.208 397 L C 2.052 178.847 176.870 -0.125 0.000 1.085 397 L CA 1.466 56.265 54.840 -0.068 0.000 0.755 397 L CB -0.557 41.476 42.059 -0.042 0.000 0.904 397 L HN 0.165 nan 8.230 nan 0.000 0.435 398 I N -0.729 119.807 120.570 -0.058 0.000 2.163 398 I HA -0.362 3.848 4.170 0.068 0.000 0.243 398 I C 2.580 178.653 176.117 -0.073 0.000 1.085 398 I CA 1.359 62.621 61.300 -0.064 0.000 1.347 398 I CB -0.497 37.498 38.000 -0.009 0.000 1.044 398 I HN 0.237 nan 8.210 nan 0.000 0.408 399 A N -0.115 122.680 122.820 -0.043 0.000 1.883 399 A HA -0.218 4.142 4.320 0.068 0.000 0.217 399 A C 1.165 178.706 177.584 -0.072 0.000 1.186 399 A CA 1.753 53.767 52.037 -0.040 0.000 0.624 399 A CB -0.492 18.501 19.000 -0.012 0.000 0.822 399 A HN 0.624 nan 8.150 nan 0.000 0.444 400 N N -1.875 116.767 118.700 -0.098 0.000 2.542 400 N HA 0.216 4.996 4.740 0.068 0.000 0.288 400 N C 0.307 175.702 175.510 -0.191 0.000 1.115 400 N CA -0.698 52.275 53.050 -0.128 0.000 0.924 400 N CB 0.654 39.095 38.487 -0.076 0.000 1.526 400 N HN -0.004 nan 8.380 nan 0.000 0.515 401 R N 1.465 121.754 120.500 -0.352 0.000 2.193 401 R HA -0.003 4.377 4.340 0.068 0.000 0.229 401 R C 0.379 176.538 176.300 -0.235 0.000 1.110 401 R CA 0.727 56.474 56.100 -0.588 0.000 0.988 401 R CB -0.487 28.960 30.300 -1.421 0.000 0.871 401 R HN 0.607 nan 8.270 nan 0.000 0.458 402 N N 1.484 120.103 118.700 -0.135 0.000 2.434 402 N HA -0.078 4.703 4.740 0.068 0.000 0.196 402 N C -0.142 175.368 175.510 0.002 0.000 1.183 402 N CA 0.286 53.318 53.050 -0.029 0.000 0.849 402 N CB -0.004 38.468 38.487 -0.026 0.000 0.992 402 N HN 0.099 nan 8.380 nan 0.000 0.460 403 D N 1.285 121.692 120.400 0.011 0.000 2.470 403 D HA 0.033 4.714 4.640 0.068 0.000 0.226 403 D C 0.283 176.642 176.300 0.097 0.000 1.196 403 D CA -0.237 53.785 54.000 0.036 0.000 0.979 403 D CB 0.427 41.239 40.800 0.020 0.000 1.059 403 D HN -0.052 nan 8.370 nan 0.000 0.515 404 D N 2.246 122.688 120.400 0.070 0.000 2.144 404 D HA -0.135 4.546 4.640 0.068 0.000 0.199 404 D C 1.849 178.225 176.300 0.127 0.000 0.984 404 D CA 1.055 55.103 54.000 0.080 0.000 0.834 404 D CB 0.107 40.916 40.800 0.015 0.000 0.955 404 D HN 0.520 nan 8.370 nan 0.000 0.465 405 A N 0.705 123.572 122.820 0.080 0.000 1.930 405 A HA 0.018 4.378 4.320 0.068 0.000 0.217 405 A C 2.266 179.898 177.584 0.079 0.000 1.175 405 A CA 1.937 54.014 52.037 0.067 0.000 0.627 405 A CB -0.590 18.430 19.000 0.033 0.000 0.815 405 A HN 0.227 nan 8.150 nan 0.000 0.443 406 A N -1.322 121.549 122.820 0.084 0.000 1.930 406 A HA 0.016 4.376 4.320 0.068 0.000 0.217 406 A C 2.021 179.659 177.584 0.091 0.000 1.175 406 A CA 1.333 53.403 52.037 0.056 0.000 0.627 406 A CB -0.682 18.341 19.000 0.038 0.000 0.815 406 A HN 0.619 nan 8.150 nan 0.000 0.443 407 F N 0.991 120.967 119.950 0.044 0.000 2.069 407 F HA -0.207 4.360 4.527 0.067 0.000 0.298 407 F C 2.397 178.197 175.800 -0.000 0.000 1.113 407 F CA 2.207 60.269 58.000 0.103 0.000 1.214 407 F CB 0.015 39.118 39.000 0.172 0.000 0.978 407 F HN 0.234 nan 8.300 nan 0.000 0.474 408 E N 0.132 120.501 120.200 0.282 0.000 2.110 408 E HA -0.259 4.132 4.350 0.068 0.000 0.193 408 E C 2.261 178.852 176.600 -0.015 0.000 0.988 408 E CA 1.167 57.650 56.400 0.137 0.000 0.804 408 E CB -0.453 29.319 29.700 0.120 0.000 0.745 408 E HN 0.451 nan 8.360 nan 0.000 0.458 409 R N 0.951 121.436 120.500 -0.025 0.000 2.092 409 R HA -0.105 4.276 4.340 0.068 0.000 0.231 409 R C 2.129 178.349 176.300 -0.132 0.000 1.119 409 R CA 1.574 57.638 56.100 -0.060 0.000 0.970 409 R CB 0.205 30.483 30.300 -0.037 0.000 0.864 409 R HN 0.185 nan 8.270 nan 0.000 0.440 410 V N -3.931 115.837 119.914 -0.243 0.000 3.432 410 V HA 0.195 4.355 4.120 0.068 0.000 0.298 410 V C 1.574 177.360 176.094 -0.513 0.000 1.464 410 V CA -0.085 62.010 62.300 -0.342 0.000 1.046 410 V CB 0.678 32.109 31.823 -0.653 0.000 0.887 410 V HN -0.023 nan 8.190 nan 0.000 0.441 411 V N 1.642 121.095 119.914 -0.768 0.000 2.380 411 V HA -0.209 3.952 4.120 0.068 0.000 0.251 411 V C 1.984 177.599 176.094 -0.799 0.000 1.063 411 V CA 2.773 64.266 62.300 -1.346 0.000 1.055 411 V CB -0.901 30.168 31.823 -1.256 0.000 0.657 411 V HN 0.706 nan 8.190 nan 0.000 0.455 412 N N -0.619 117.833 118.700 -0.414 0.000 2.401 412 N HA 0.130 4.911 4.740 0.068 0.000 0.264 412 N C -0.630 174.804 175.510 -0.127 0.000 1.238 412 N CA 0.099 53.012 53.050 -0.228 0.000 0.889 412 N CB 0.573 38.965 38.487 -0.159 0.000 1.196 412 N HN 0.387 nan 8.380 nan 0.000 0.511 413 T N 1.090 115.584 114.554 -0.100 0.000 2.949 413 T HA 0.404 4.794 4.350 0.068 0.000 0.300 413 T C -2.740 172.025 174.700 0.108 0.000 0.988 413 T CA -1.187 60.905 62.100 -0.014 0.000 0.993 413 T CB 2.404 71.269 68.868 -0.004 0.000 0.984 413 T HN -0.051 nan 8.240 nan 0.000 0.442 414 P HA 0.168 nan 4.420 nan 0.000 0.271 414 P C 0.277 177.560 177.300 -0.029 0.000 1.244 414 P CA -0.419 62.664 63.100 -0.029 0.000 0.793 414 P CB 0.005 31.669 31.700 -0.061 0.000 0.984 415 T N -1.311 113.219 114.554 -0.040 0.000 2.902 415 T HA 0.158 4.549 4.350 0.068 0.000 0.301 415 T C 0.738 175.422 174.700 -0.028 0.000 1.012 415 T CA -0.232 61.849 62.100 -0.032 0.000 1.151 415 T CB 0.177 69.041 68.868 -0.007 0.000 0.946 415 T HN 0.344 nan 8.240 nan 0.000 0.542 416 R N 1.596 122.072 120.500 -0.040 0.000 2.531 416 R HA 0.336 4.716 4.340 0.068 0.000 0.316 416 R C 1.457 177.744 176.300 -0.021 0.000 0.955 416 R CA 0.016 56.099 56.100 -0.027 0.000 1.120 416 R CB 0.609 30.884 30.300 -0.042 0.000 1.361 416 R HN 1.024 nan 8.270 nan 0.000 0.534 417 G N 2.327 111.115 108.800 -0.020 0.000 2.198 417 G HA2 -0.259 3.741 3.960 0.068 0.000 0.257 417 G HA3 -0.259 3.741 3.960 0.068 0.000 0.257 417 G C 0.025 174.914 174.900 -0.019 0.000 1.042 417 G CA -0.102 44.995 45.100 -0.006 0.000 0.791 417 G HN 0.257 nan 8.290 nan 0.000 0.502 418 I N 1.847 122.389 120.570 -0.047 0.000 2.291 418 I HA 0.454 4.665 4.170 0.068 0.000 0.290 418 I C 1.343 177.435 176.117 -0.042 0.000 1.050 418 I CA -0.058 61.209 61.300 -0.054 0.000 1.245 418 I CB 0.855 38.789 38.000 -0.110 0.000 1.405 418 I HN 0.184 nan 8.210 nan 0.000 0.478 419 G N 3.877 112.666 108.800 -0.019 0.000 2.562 419 G HA2 0.112 4.112 3.960 0.068 0.000 0.275 419 G HA3 0.112 4.112 3.960 0.068 0.000 0.275 419 G C 0.497 175.394 174.900 -0.005 0.000 1.196 419 G CA -0.375 44.720 45.100 -0.009 0.000 0.908 419 G HN 0.597 nan 8.290 nan 0.000 0.524 420 D N -0.052 120.347 120.400 -0.001 0.000 2.149 420 D HA -0.076 4.604 4.640 0.068 0.000 0.201 420 D C 2.488 178.792 176.300 0.006 0.000 0.972 420 D CA 0.725 54.727 54.000 0.003 0.000 0.835 420 D CB 0.175 40.977 40.800 0.003 0.000 0.966 420 D HN 0.389 nan 8.370 nan 0.000 0.476 421 R N 0.362 120.865 120.500 0.005 0.000 2.092 421 R HA -0.020 4.361 4.340 0.068 0.000 0.231 421 R C 2.340 178.643 176.300 0.006 0.000 1.119 421 R CA 1.113 57.216 56.100 0.005 0.000 0.970 421 R CB -0.358 29.944 30.300 0.004 0.000 0.864 421 R HN 0.062 nan 8.270 nan 0.000 0.440 422 T N 1.276 115.835 114.554 0.007 0.000 2.777 422 T HA -0.061 4.330 4.350 0.068 0.000 0.266 422 T C 1.557 176.268 174.700 0.019 0.000 1.040 422 T CA 0.849 62.955 62.100 0.010 0.000 1.141 422 T CB -0.058 68.816 68.868 0.009 0.000 0.868 422 T HN -0.019 nan 8.240 nan 0.000 0.444 423 L N 1.501 122.738 121.223 0.025 0.000 2.141 423 L HA -0.006 4.374 4.340 0.068 0.000 0.209 423 L C 2.116 179.002 176.870 0.027 0.000 1.094 423 L CA 1.472 56.338 54.840 0.044 0.000 0.763 423 L CB -1.094 40.994 42.059 0.048 0.000 0.908 423 L HN 0.170 nan 8.230 nan 0.000 0.437 424 D N -0.874 119.535 120.400 0.015 0.000 2.144 424 D HA -0.122 4.558 4.640 0.068 0.000 0.199 424 D C 2.372 178.674 176.300 0.002 0.000 0.984 424 D CA 0.896 54.901 54.000 0.008 0.000 0.834 424 D CB 0.175 40.978 40.800 0.005 0.000 0.955 424 D HN 0.115 nan 8.370 nan 0.000 0.465 425 V N 0.466 120.381 119.914 0.002 0.000 2.358 425 V HA -0.188 3.972 4.120 0.068 0.000 0.246 425 V C 2.623 178.711 176.094 -0.010 0.000 1.047 425 V CA 0.929 63.227 62.300 -0.003 0.000 1.035 425 V CB -0.316 31.506 31.823 -0.002 0.000 0.658 425 V HN 0.057 nan 8.190 nan 0.000 0.452 426 V N 0.029 119.939 119.914 -0.007 0.000 2.343 426 V HA -0.245 3.916 4.120 0.068 0.000 0.247 426 V C 2.560 178.626 176.094 -0.047 0.000 1.051 426 V CA 2.079 64.363 62.300 -0.028 0.000 1.036 426 V CB -0.758 31.059 31.823 -0.011 0.000 0.654 426 V HN 0.494 nan 8.190 nan 0.000 0.451 427 R N -0.402 120.080 120.500 -0.029 0.000 2.075 427 R HA -0.144 4.236 4.340 0.068 0.000 0.232 427 R C 2.413 178.697 176.300 -0.026 0.000 1.126 427 R CA 1.380 57.461 56.100 -0.032 0.000 0.963 427 R CB -0.344 29.949 30.300 -0.012 0.000 0.858 427 R HN 0.555 nan 8.270 nan 0.000 0.435 428 Q N -0.184 119.606 119.800 -0.018 0.000 2.084 428 Q HA -0.124 4.257 4.340 0.068 0.000 0.202 428 Q C 2.037 178.025 176.000 -0.019 0.000 0.978 428 Q CA 2.051 57.845 55.803 -0.015 0.000 0.844 428 Q CB -0.058 28.674 28.738 -0.010 0.000 0.898 428 Q HN 0.303 nan 8.270 nan 0.000 0.426 429 T N 0.311 114.852 114.554 -0.023 0.000 2.684 429 T HA -0.211 4.179 4.350 0.068 0.000 0.267 429 T C 2.019 176.701 174.700 -0.030 0.000 1.036 429 T CA 1.587 63.672 62.100 -0.025 0.000 1.148 429 T CB -0.455 68.395 68.868 -0.029 0.000 0.863 429 T HN 0.458 nan 8.240 nan 0.000 0.436 430 S N 1.454 117.128 115.700 -0.042 0.000 2.383 430 S HA -0.139 4.371 4.470 0.068 0.000 0.229 430 S C 2.112 176.694 174.600 -0.030 0.000 1.030 430 S CA 1.009 59.182 58.200 -0.045 0.000 1.002 430 S CB -0.300 62.857 63.200 -0.071 0.000 0.829 430 S HN 0.408 nan 8.310 nan 0.000 0.467 431 R N 0.786 121.271 120.500 -0.026 0.000 2.062 431 R HA -0.035 4.345 4.340 0.068 0.000 0.231 431 R C 2.071 178.363 176.300 -0.014 0.000 1.136 431 R CA 1.771 57.860 56.100 -0.018 0.000 0.948 431 R CB -0.465 29.826 30.300 -0.014 0.000 0.845 431 R HN 0.457 nan 8.270 nan 0.000 0.430 432 D N 0.071 120.463 120.400 -0.014 0.000 2.123 432 D HA -0.149 4.531 4.640 0.068 0.000 0.196 432 D C 1.503 177.797 176.300 -0.010 0.000 0.992 432 D CA 1.335 55.328 54.000 -0.011 0.000 0.833 432 D CB -0.074 40.720 40.800 -0.010 0.000 0.954 432 D HN 0.186 nan 8.370 nan 0.000 0.455 433 R N 0.305 120.798 120.500 -0.012 0.000 2.334 433 R HA 0.144 4.525 4.340 0.068 0.000 0.220 433 R C 0.004 176.298 176.300 -0.009 0.000 0.917 433 R CA -0.082 56.012 56.100 -0.010 0.000 1.073 433 R CB 0.152 30.445 30.300 -0.012 0.000 1.056 433 R HN 0.204 nan 8.270 nan 0.000 0.506 434 Q N 0.969 120.763 119.800 -0.010 0.000 2.431 434 Q HA -0.198 4.183 4.340 0.068 0.000 0.344 434 Q C -0.837 175.158 176.000 -0.008 0.000 1.384 434 Q CA 0.619 56.417 55.803 -0.009 0.000 0.984 434 Q CB -1.432 27.303 28.738 -0.006 0.000 1.204 434 Q HN 0.402 nan 8.270 nan 0.000 0.392 435 L N -0.491 120.724 121.223 -0.013 0.000 2.286 435 L HA 0.555 4.935 4.340 0.068 0.000 0.265 435 L C 1.087 177.946 176.870 -0.019 0.000 1.012 435 L CA -0.845 53.990 54.840 -0.010 0.000 0.818 435 L CB 1.654 43.706 42.059 -0.012 0.000 1.337 435 L HN 0.246 nan 8.230 nan 0.000 0.438 436 T N -1.903 112.646 114.554 -0.008 0.000 2.860 436 T HA 0.143 4.534 4.350 0.068 0.000 0.299 436 T C 1.170 175.823 174.700 -0.077 0.000 1.045 436 T CA -0.670 61.417 62.100 -0.022 0.000 1.071 436 T CB 0.789 69.670 68.868 0.021 0.000 0.985 436 T HN 0.292 nan 8.240 nan 0.000 0.537 437 L N 0.575 121.691 121.223 -0.179 0.000 2.013 437 L HA -0.039 4.341 4.340 0.068 0.000 0.212 437 L C 2.320 178.932 176.870 -0.429 0.000 1.073 437 L CA 1.585 56.176 54.840 -0.416 0.000 0.753 437 L CB -1.755 39.847 42.059 -0.761 0.000 0.890 437 L HN 0.844 nan 8.230 nan 0.000 0.432 438 W N 0.717 121.745 121.300 -0.454 0.000 2.318 438 W HA -0.284 4.417 4.660 0.068 0.000 0.313 438 W C 2.399 178.876 176.519 -0.071 0.000 1.221 438 W CA 1.941 59.191 57.345 -0.158 0.000 1.266 438 W CB -0.235 29.232 29.460 0.011 0.000 1.150 438 W HN 0.354 nan 8.180 nan 0.000 0.496 439 Q N -0.213 119.675 119.800 0.146 0.000 2.119 439 Q HA -0.116 4.265 4.340 0.068 0.000 0.201 439 Q C 2.534 178.519 176.000 -0.025 0.000 0.972 439 Q CA 1.910 57.763 55.803 0.083 0.000 0.847 439 Q CB -0.502 28.284 28.738 0.081 0.000 0.903 439 Q HN 0.237 nan 8.270 nan 0.000 0.433 440 A N -0.067 122.717 122.820 -0.061 0.000 1.930 440 A HA -0.180 4.181 4.320 0.068 0.000 0.217 440 A C 2.254 179.783 177.584 -0.093 0.000 1.175 440 A CA 1.127 53.120 52.037 -0.074 0.000 0.627 440 A CB -0.896 18.052 19.000 -0.087 0.000 0.815 440 A HN 0.486 nan 8.150 nan 0.000 0.443 441 C N -0.974 118.242 119.300 -0.141 0.000 2.413 441 C HA -0.095 4.406 4.460 0.068 0.000 0.277 441 C C 2.869 177.765 174.990 -0.157 0.000 1.228 441 C CA 1.022 59.956 59.018 -0.139 0.000 1.731 441 C CB -1.183 26.456 27.740 -0.168 0.000 2.042 441 C HN 0.540 nan 8.230 nan 0.000 0.468 442 R N 0.960 121.332 120.500 -0.212 0.000 2.113 442 R HA -0.149 4.231 4.340 0.068 0.000 0.244 442 R C 1.954 178.207 176.300 -0.078 0.000 1.142 442 R CA 1.681 57.688 56.100 -0.155 0.000 0.953 442 R CB -0.845 29.395 30.300 -0.101 0.000 0.860 442 R HN 0.697 nan 8.270 nan 0.000 0.438 443 E N 0.166 120.332 120.200 -0.057 0.000 2.072 443 E HA -0.075 4.315 4.350 0.068 0.000 0.190 443 E C 2.227 178.807 176.600 -0.033 0.000 0.982 443 E CA 0.679 57.059 56.400 -0.034 0.000 0.803 443 E CB -0.110 29.576 29.700 -0.023 0.000 0.755 443 E HN 0.228 nan 8.360 nan 0.000 0.453 444 L N 0.847 122.046 121.223 -0.040 0.000 2.083 444 L HA -0.198 4.183 4.340 0.068 0.000 0.209 444 L C 2.423 179.275 176.870 -0.029 0.000 1.083 444 L CA 0.846 55.668 54.840 -0.031 0.000 0.752 444 L CB -0.309 41.732 42.059 -0.030 0.000 0.899 444 L HN 0.169 nan 8.230 nan 0.000 0.433 445 L N -1.057 120.142 121.223 -0.040 0.000 2.072 445 L HA -0.202 4.178 4.340 0.068 0.000 0.205 445 L C 2.631 179.485 176.870 -0.027 0.000 1.079 445 L CA 1.133 55.952 54.840 -0.036 0.000 0.752 445 L CB -0.430 41.597 42.059 -0.053 0.000 0.906 445 L HN 0.304 nan 8.230 nan 0.000 0.436 446 Q N -0.016 119.767 119.800 -0.028 0.000 2.124 446 Q HA -0.218 4.163 4.340 0.068 0.000 0.202 446 Q C 1.700 177.692 176.000 -0.013 0.000 0.977 446 Q CA 1.421 57.213 55.803 -0.018 0.000 0.850 446 Q CB 0.084 28.812 28.738 -0.016 0.000 0.901 446 Q HN 0.518 nan 8.270 nan 0.000 0.429 447 E N 0.023 120.214 120.200 -0.015 0.000 2.489 447 E HA -0.013 4.378 4.350 0.068 0.000 0.193 447 E C -0.316 176.278 176.600 -0.010 0.000 1.057 447 E CA -0.048 56.345 56.400 -0.011 0.000 0.866 447 E CB 0.283 29.976 29.700 -0.012 0.000 0.916 447 E HN 0.134 nan 8.360 nan 0.000 0.500 448 K N -0.952 119.442 120.400 -0.011 0.000 3.069 448 K HA -0.268 4.092 4.320 0.068 0.000 0.267 448 K C 0.779 177.374 176.600 -0.008 0.000 1.082 448 K CA 0.234 56.516 56.287 -0.009 0.000 0.782 448 K CB -1.315 31.181 32.500 -0.006 0.000 1.230 448 K HN 0.243 nan 8.250 nan 0.000 0.488 449 A N 0.093 122.907 122.820 -0.010 0.000 2.067 449 A HA 0.087 4.448 4.320 0.068 0.000 0.217 449 A C 0.824 178.404 177.584 -0.007 0.000 1.156 449 A CA 0.590 52.621 52.037 -0.009 0.000 0.683 449 A CB 0.132 19.125 19.000 -0.011 0.000 0.808 449 A HN 0.282 nan 8.150 nan 0.000 0.455 450 L N -0.354 120.865 121.223 -0.007 0.000 2.343 450 L HA 0.590 4.971 4.340 0.068 0.000 0.275 450 L C 0.807 177.676 176.870 -0.002 0.000 1.056 450 L CA -0.851 53.987 54.840 -0.004 0.000 0.804 450 L CB 1.220 43.277 42.059 -0.003 0.000 1.203 450 L HN 0.188 nan 8.230 nan 0.000 0.440 451 A N 1.665 124.485 122.820 -0.001 0.000 2.603 451 A HA 0.112 4.472 4.320 0.068 0.000 0.235 451 A C 1.446 179.030 177.584 0.001 0.000 1.035 451 A CA 0.636 52.673 52.037 0.000 0.000 0.755 451 A CB -0.166 18.834 19.000 0.001 0.000 0.954 451 A HN 1.027 nan 8.150 nan 0.000 0.511 452 G N 1.941 110.742 108.800 0.001 0.000 2.469 452 G HA2 -0.316 3.685 3.960 0.068 0.000 0.219 452 G HA3 -0.316 3.685 3.960 0.068 0.000 0.219 452 G C 1.502 176.404 174.900 0.003 0.000 1.150 452 G CA 1.165 46.266 45.100 0.001 0.000 0.763 452 G HN 1.001 nan 8.290 nan 0.000 0.561 453 R N 0.265 120.768 120.500 0.004 0.000 2.148 453 R HA 0.300 4.681 4.340 0.068 0.000 0.227 453 R C 2.561 178.865 176.300 0.006 0.000 1.103 453 R CA 1.323 57.426 56.100 0.006 0.000 0.983 453 R CB -0.432 29.872 30.300 0.006 0.000 0.874 453 R HN 0.258 nan 8.270 nan 0.000 0.451 454 A N 1.515 124.337 122.820 0.005 0.000 1.935 454 A HA 0.239 4.599 4.320 0.068 0.000 0.214 454 A C 2.440 180.028 177.584 0.007 0.000 1.178 454 A CA 0.875 52.915 52.037 0.005 0.000 0.640 454 A CB -0.401 18.601 19.000 0.004 0.000 0.825 454 A HN 0.440 nan 8.150 nan 0.000 0.447 455 A N 0.578 123.401 122.820 0.005 0.000 1.930 455 A HA -0.060 4.300 4.320 0.068 0.000 0.217 455 A C 2.495 180.083 177.584 0.007 0.000 1.175 455 A CA 2.190 54.228 52.037 0.003 0.000 0.627 455 A CB -0.875 18.124 19.000 -0.002 0.000 0.815 455 A HN 0.826 nan 8.150 nan 0.000 0.443 456 S N 0.388 116.093 115.700 0.009 0.000 2.355 456 S HA 0.036 4.546 4.470 0.068 0.000 0.222 456 S C 2.150 176.763 174.600 0.021 0.000 1.031 456 S CA 1.259 59.466 58.200 0.011 0.000 0.993 456 S CB -0.794 62.412 63.200 0.009 0.000 0.859 456 S HN 0.858 nan 8.310 nan 0.000 0.453 457 A N 1.600 124.433 122.820 0.023 0.000 1.930 457 A HA 0.140 4.500 4.320 0.068 0.000 0.217 457 A C 2.225 179.847 177.584 0.063 0.000 1.175 457 A CA 1.418 53.476 52.037 0.034 0.000 0.627 457 A CB -0.808 18.201 19.000 0.016 0.000 0.815 457 A HN 0.487 nan 8.150 nan 0.000 0.443 458 L N -0.240 121.014 121.223 0.050 0.000 2.093 458 L HA -0.148 4.232 4.340 0.068 0.000 0.208 458 L C 2.391 179.310 176.870 0.082 0.000 1.085 458 L CA 2.087 56.978 54.840 0.085 0.000 0.755 458 L CB -0.575 41.516 42.059 0.055 0.000 0.904 458 L HN 0.485 nan 8.230 nan 0.000 0.435 459 Q N -1.043 118.777 119.800 0.032 0.000 2.119 459 Q HA -0.230 4.151 4.340 0.068 0.000 0.201 459 Q C 2.283 178.295 176.000 0.020 0.000 0.972 459 Q CA 1.486 57.290 55.803 0.002 0.000 0.847 459 Q CB -0.160 28.576 28.738 -0.004 0.000 0.903 459 Q HN 0.330 nan 8.270 nan 0.000 0.433 460 R N 0.547 121.078 120.500 0.051 0.000 2.075 460 R HA -0.149 4.232 4.340 0.068 0.000 0.232 460 R C 1.796 178.153 176.300 0.094 0.000 1.126 460 R CA 1.275 57.411 56.100 0.059 0.000 0.963 460 R CB -0.768 29.568 30.300 0.060 0.000 0.858 460 R HN 0.258 nan 8.270 nan 0.000 0.435 461 F N 0.590 120.538 119.950 -0.003 0.000 2.126 461 F HA -0.160 4.408 4.527 0.067 0.000 0.299 461 F C 1.832 177.669 175.800 0.061 0.000 1.096 461 F CA 1.970 59.978 58.000 0.014 0.000 1.255 461 F CB -0.251 38.722 39.000 -0.046 0.000 0.997 461 F HN 0.041 nan 8.300 nan 0.000 0.479 462 M N -0.202 119.302 119.600 -0.160 0.000 2.200 462 M HA -0.157 4.364 4.480 0.068 0.000 0.265 462 M C 2.276 178.558 176.300 -0.030 0.000 1.066 462 M CA 1.795 56.945 55.300 -0.249 0.000 1.127 462 M CB -0.705 31.636 32.600 -0.431 0.000 1.379 462 M HN 0.254 nan 8.290 nan 0.000 0.420 463 E N 1.039 121.223 120.200 -0.026 0.000 2.085 463 E HA -0.254 4.137 4.350 0.068 0.000 0.194 463 E C 1.970 178.572 176.600 0.003 0.000 0.994 463 E CA 1.322 57.729 56.400 0.011 0.000 0.801 463 E CB -0.060 29.645 29.700 0.010 0.000 0.743 463 E HN 0.336 nan 8.360 nan 0.000 0.453 464 L N 1.098 122.304 121.223 -0.028 0.000 2.046 464 L HA -0.177 4.204 4.340 0.068 0.000 0.208 464 L C 2.109 178.962 176.870 -0.029 0.000 1.077 464 L CA 1.503 56.331 54.840 -0.019 0.000 0.747 464 L CB -0.557 41.510 42.059 0.015 0.000 0.896 464 L HN 0.200 nan 8.230 nan 0.000 0.432 465 I N 0.046 120.557 120.570 -0.098 0.000 2.179 465 I HA -0.248 3.962 4.170 0.068 0.000 0.242 465 I C 2.236 178.348 176.117 -0.009 0.000 1.088 465 I CA 1.347 62.610 61.300 -0.061 0.000 1.357 465 I CB -1.491 36.430 38.000 -0.133 0.000 1.051 465 I HN 0.308 nan 8.210 nan 0.000 0.409 466 D N 0.923 121.359 120.400 0.059 0.000 2.144 466 D HA -0.104 4.577 4.640 0.068 0.000 0.199 466 D C 2.239 178.550 176.300 0.018 0.000 0.984 466 D CA 1.488 55.518 54.000 0.050 0.000 0.834 466 D CB 0.043 40.916 40.800 0.121 0.000 0.955 466 D HN 0.312 nan 8.370 nan 0.000 0.465 467 A N 0.587 123.416 122.820 0.015 0.000 1.897 467 A HA -0.074 4.287 4.320 0.068 0.000 0.215 467 A C 2.391 179.972 177.584 -0.005 0.000 1.181 467 A CA 0.603 52.642 52.037 0.004 0.000 0.620 467 A CB -0.736 18.265 19.000 0.003 0.000 0.821 467 A HN 0.179 nan 8.150 nan 0.000 0.443 468 L N -0.604 120.615 121.223 -0.006 0.000 2.013 468 L HA -0.290 4.091 4.340 0.068 0.000 0.212 468 L C 3.111 179.974 176.870 -0.011 0.000 1.073 468 L CA 1.402 56.237 54.840 -0.008 0.000 0.753 468 L CB -0.465 41.597 42.059 0.005 0.000 0.890 468 L HN 0.465 nan 8.230 nan 0.000 0.432 469 A N -1.050 121.760 122.820 -0.016 0.000 1.933 469 A HA -0.274 4.087 4.320 0.068 0.000 0.218 469 A C 2.232 179.804 177.584 -0.020 0.000 1.175 469 A CA 1.879 53.901 52.037 -0.025 0.000 0.628 469 A CB -0.503 18.468 19.000 -0.049 0.000 0.814 469 A HN 0.548 nan 8.150 nan 0.000 0.444 470 Q N -0.557 119.235 119.800 -0.014 0.000 2.096 470 Q HA -0.138 4.242 4.340 0.068 0.000 0.197 470 Q C 1.788 177.780 176.000 -0.013 0.000 0.964 470 Q CA 1.408 57.204 55.803 -0.011 0.000 0.838 470 Q CB -0.102 28.634 28.738 -0.004 0.000 0.906 470 Q HN 0.754 nan 8.270 nan 0.000 0.444 471 E N -0.277 119.915 120.200 -0.014 0.000 2.204 471 E HA -0.110 4.281 4.350 0.068 0.000 0.194 471 E C 1.411 177.998 176.600 -0.023 0.000 0.989 471 E CA 1.496 57.886 56.400 -0.017 0.000 0.824 471 E CB 0.227 29.916 29.700 -0.018 0.000 0.756 471 E HN 0.486 nan 8.360 nan 0.000 0.477 472 T N -2.952 111.588 114.554 -0.023 0.000 3.069 472 T HA 0.382 4.772 4.350 0.068 0.000 0.252 472 T C 1.665 176.349 174.700 -0.027 0.000 1.053 472 T CA 0.246 62.328 62.100 -0.030 0.000 0.964 472 T CB 0.638 69.488 68.868 -0.030 0.000 1.005 472 T HN 0.077 nan 8.240 nan 0.000 0.532 473 A N 2.052 124.860 122.820 -0.021 0.000 2.019 473 A HA -0.011 4.349 4.320 0.068 0.000 0.219 473 A C 1.745 179.319 177.584 -0.016 0.000 1.164 473 A CA 1.245 53.272 52.037 -0.017 0.000 0.644 473 A CB -0.282 18.709 19.000 -0.014 0.000 0.805 473 A HN 0.512 nan 8.150 nan 0.000 0.449 474 D N -1.084 119.304 120.400 -0.020 0.000 2.462 474 D HA 0.247 4.928 4.640 0.068 0.000 0.221 474 D C 0.005 176.288 176.300 -0.028 0.000 1.173 474 D CA 0.025 54.014 54.000 -0.018 0.000 0.831 474 D CB 0.181 40.972 40.800 -0.015 0.000 1.001 474 D HN 0.429 nan 8.370 nan 0.000 0.499 475 M N 1.239 120.815 119.600 -0.041 0.000 2.274 475 M HA 0.294 4.814 4.480 0.068 0.000 0.344 475 M C -2.197 174.061 176.300 -0.070 0.000 1.161 475 M CA -1.556 53.704 55.300 -0.068 0.000 1.126 475 M CB 0.720 33.268 32.600 -0.087 0.000 1.522 475 M HN -0.319 nan 8.290 nan 0.000 0.461 476 P HA -0.028 nan 4.420 nan 0.000 0.267 476 P C 0.488 177.725 177.300 -0.106 0.000 1.200 476 P CA -0.355 62.701 63.100 -0.073 0.000 0.772 476 P CB 0.402 32.052 31.700 -0.085 0.000 0.855 477 L N 3.169 124.390 121.223 -0.004 0.000 2.030 477 L HA -0.279 4.102 4.340 0.068 0.000 0.222 477 L C 2.460 179.297 176.870 -0.055 0.000 1.082 477 L CA 2.226 57.053 54.840 -0.022 0.000 0.785 477 L CB -1.350 40.710 42.059 0.002 0.000 0.895 477 L HN 0.624 nan 8.230 nan 0.000 0.439 478 H N -2.368 116.663 119.070 -0.066 0.000 2.423 478 H HA -0.013 4.586 4.556 0.072 0.000 0.297 478 H C 2.063 177.373 175.328 -0.030 0.000 1.075 478 H CA 1.676 57.690 56.048 -0.057 0.000 1.342 478 H CB -1.055 28.684 29.762 -0.037 0.000 1.395 478 H HN 0.319 nan 8.280 nan 0.000 0.530 479 V N 1.553 121.113 119.914 -0.589 0.000 2.453 479 V HA -0.240 3.921 4.120 0.068 0.000 0.247 479 V C 2.974 178.969 176.094 -0.165 0.000 1.048 479 V CA 1.954 64.039 62.300 -0.359 0.000 1.049 479 V CB -0.725 30.862 31.823 -0.393 0.000 0.672 479 V HN 0.414 nan 8.190 nan 0.000 0.457 480 Q N 0.010 119.727 119.800 -0.139 0.000 2.084 480 Q HA -0.211 4.170 4.340 0.068 0.000 0.202 480 Q C 2.215 178.189 176.000 -0.043 0.000 0.978 480 Q CA 2.299 58.058 55.803 -0.073 0.000 0.844 480 Q CB -0.204 28.499 28.738 -0.058 0.000 0.898 480 Q HN 0.619 nan 8.270 nan 0.000 0.426 481 T N 0.915 115.445 114.554 -0.040 0.000 2.737 481 T HA -0.158 4.232 4.350 0.068 0.000 0.265 481 T C 1.285 176.003 174.700 0.031 0.000 1.038 481 T CA 1.395 63.495 62.100 -0.000 0.000 1.144 481 T CB -0.447 68.414 68.868 -0.012 0.000 0.866 481 T HN 0.416 nan 8.240 nan 0.000 0.434 482 D N 0.781 121.208 120.400 0.045 0.000 2.104 482 D HA -0.118 4.563 4.640 0.068 0.000 0.194 482 D C 2.332 178.656 176.300 0.041 0.000 0.994 482 D CA 1.033 55.090 54.000 0.095 0.000 0.830 482 D CB -0.156 40.703 40.800 0.097 0.000 0.959 482 D HN 0.026 nan 8.370 nan 0.000 0.452 483 R N 0.155 120.652 120.500 -0.004 0.000 2.091 483 R HA -0.078 4.303 4.340 0.068 0.000 0.238 483 R C 2.251 178.529 176.300 -0.037 0.000 1.136 483 R CA 1.240 57.327 56.100 -0.023 0.000 0.959 483 R CB -0.904 29.374 30.300 -0.037 0.000 0.856 483 R HN 0.159 nan 8.270 nan 0.000 0.437 484 V N 0.459 120.352 119.914 -0.035 0.000 2.358 484 V HA -0.200 3.961 4.120 0.068 0.000 0.246 484 V C 2.301 178.321 176.094 -0.124 0.000 1.047 484 V CA 1.936 64.194 62.300 -0.070 0.000 1.035 484 V CB -0.394 31.421 31.823 -0.013 0.000 0.658 484 V HN 0.292 nan 8.190 nan 0.000 0.452 485 I N -0.082 120.454 120.570 -0.056 0.000 2.264 485 I HA -0.281 3.929 4.170 0.068 0.000 0.248 485 I C 2.551 178.625 176.117 -0.073 0.000 1.111 485 I CA 1.878 63.145 61.300 -0.055 0.000 1.382 485 I CB -0.347 37.657 38.000 0.007 0.000 1.060 485 I HN 0.302 nan 8.210 nan 0.000 0.418 486 K N 0.865 121.237 120.400 -0.046 0.000 1.991 486 K HA -0.187 4.174 4.320 0.068 0.000 0.207 486 K C 1.585 178.138 176.600 -0.079 0.000 1.045 486 K CA 1.847 58.109 56.287 -0.042 0.000 0.937 486 K CB -0.031 32.463 32.500 -0.010 0.000 0.720 486 K HN 0.115 nan 8.250 nan 0.000 0.438 487 D N 0.376 120.721 120.400 -0.092 0.000 2.269 487 D HA -0.087 4.593 4.640 0.068 0.000 0.208 487 D C 1.823 178.036 176.300 -0.146 0.000 0.963 487 D CA 1.198 55.141 54.000 -0.096 0.000 0.864 487 D CB 0.055 40.811 40.800 -0.073 0.000 0.936 487 D HN 0.340 nan 8.370 nan 0.000 0.505 488 S N -0.973 114.564 115.700 -0.272 0.000 2.522 488 S HA 0.129 4.639 4.470 0.068 0.000 0.227 488 S C 1.889 176.339 174.600 -0.249 0.000 0.986 488 S CA 0.749 58.674 58.200 -0.458 0.000 0.929 488 S CB -0.009 62.494 63.200 -1.162 0.000 0.769 488 S HN 0.288 nan 8.310 nan 0.000 0.529 489 G N 1.264 109.963 108.800 -0.168 0.000 2.184 489 G HA2 -0.290 3.711 3.960 0.068 0.000 0.264 489 G HA3 -0.290 3.711 3.960 0.068 0.000 0.264 489 G C 0.633 175.460 174.900 -0.121 0.000 0.975 489 G CA 0.492 45.523 45.100 -0.116 0.000 0.642 489 G HN 0.525 nan 8.290 nan 0.000 0.536 490 L N -0.521 120.623 121.223 -0.132 0.000 2.042 490 L HA -0.116 4.264 4.340 0.068 0.000 0.210 490 L C 2.889 179.750 176.870 -0.016 0.000 1.076 490 L CA 2.284 57.083 54.840 -0.068 0.000 0.749 490 L CB -0.500 41.560 42.059 0.002 0.000 0.893 490 L HN 0.418 nan 8.230 nan 0.000 0.432 491 R N -0.072 120.423 120.500 -0.010 0.000 2.073 491 R HA -0.151 4.229 4.340 0.068 0.000 0.234 491 R C 2.253 178.546 176.300 -0.010 0.000 1.134 491 R CA 2.046 58.159 56.100 0.021 0.000 0.952 491 R CB -0.343 29.953 30.300 -0.007 0.000 0.850 491 R HN 0.222 nan 8.270 nan 0.000 0.433 492 T N 1.175 115.693 114.554 -0.059 0.000 2.759 492 T HA -0.198 4.193 4.350 0.068 0.000 0.269 492 T C 1.679 176.290 174.700 -0.149 0.000 1.042 492 T CA 1.600 63.647 62.100 -0.088 0.000 1.140 492 T CB -0.174 68.641 68.868 -0.089 0.000 0.864 492 T HN 0.306 nan 8.240 nan 0.000 0.455 493 M N -0.197 119.273 119.600 -0.216 0.000 2.149 493 M HA -0.152 4.369 4.480 0.068 0.000 0.261 493 M C 1.667 177.680 176.300 -0.478 0.000 1.064 493 M CA 1.810 56.889 55.300 -0.368 0.000 1.102 493 M CB -0.171 32.134 32.600 -0.492 0.000 1.369 493 M HN 0.358 nan 8.290 nan 0.000 0.408 494 Y N -0.137 120.082 120.300 -0.135 0.000 2.269 494 Y HA -0.079 4.512 4.550 0.069 0.000 0.294 494 Y C 2.251 178.033 175.900 -0.197 0.000 1.120 494 Y CA 1.051 59.054 58.100 -0.162 0.000 1.159 494 Y CB -0.300 38.086 38.460 -0.124 0.000 1.024 494 Y HN 0.255 nan 8.280 nan 0.000 0.532 495 E N 0.419 120.607 120.200 -0.021 0.000 2.130 495 E HA -0.301 4.089 4.350 0.068 0.000 0.196 495 E C 1.908 178.410 176.600 -0.162 0.000 0.998 495 E CA 1.498 57.855 56.400 -0.071 0.000 0.806 495 E CB -0.246 29.424 29.700 -0.049 0.000 0.738 495 E HN 0.617 nan 8.360 nan 0.000 0.459 496 Q N 0.369 120.032 119.800 -0.228 0.000 2.291 496 Q HA -0.087 4.294 4.340 0.068 0.000 0.205 496 Q C 0.226 175.845 176.000 -0.636 0.000 0.970 496 Q CA 0.663 56.283 55.803 -0.305 0.000 0.876 496 Q CB 0.209 28.790 28.738 -0.262 0.000 0.935 496 Q HN 0.246 nan 8.270 nan 0.000 0.455 497 E N 1.619 121.349 120.200 -0.783 0.000 2.282 497 E HA 0.103 4.494 4.350 0.068 0.000 0.247 497 E C -0.988 175.169 176.600 -0.739 0.000 1.113 497 E CA -0.238 55.246 56.400 -1.525 0.000 1.095 497 E CB 0.351 29.337 29.700 -1.191 0.000 1.328 497 E HN 0.138 nan 8.360 nan 0.000 0.463 498 K N 1.087 121.259 120.400 -0.379 0.000 2.527 498 K HA 0.267 4.628 4.320 0.068 0.000 0.278 498 K C 0.562 177.315 176.600 0.255 0.000 0.981 498 K CA 0.308 56.631 56.287 0.060 0.000 1.009 498 K CB 0.419 33.041 32.500 0.204 0.000 0.895 498 K HN 0.532 nan 8.250 nan 0.000 0.493 499 G N 1.351 110.250 108.800 0.164 0.000 2.339 499 G HA2 -0.115 3.886 3.960 0.068 0.000 0.381 499 G HA3 -0.115 3.886 3.960 0.068 0.000 0.381 499 G C -0.006 174.959 174.900 0.107 0.000 1.400 499 G CA -0.742 44.473 45.100 0.192 0.000 1.002 499 G HN 0.591 nan 8.290 nan 0.000 0.633 500 E N -0.178 120.078 120.200 0.093 0.000 2.118 500 E HA -0.116 4.274 4.350 0.068 0.000 0.195 500 E C 2.421 178.980 176.600 -0.069 0.000 0.992 500 E CA 1.827 58.209 56.400 -0.029 0.000 0.804 500 E CB -0.039 29.586 29.700 -0.126 0.000 0.741 500 E HN 0.520 nan 8.360 nan 0.000 0.458 501 K N -0.662 119.754 120.400 0.028 0.000 2.002 501 K HA -0.118 4.242 4.320 0.068 0.000 0.209 501 K C 2.245 178.829 176.600 -0.026 0.000 1.048 501 K CA 1.216 57.513 56.287 0.017 0.000 0.930 501 K CB -0.384 32.204 32.500 0.147 0.000 0.714 501 K HN 0.193 nan 8.250 nan 0.000 0.438 502 G N 1.280 110.090 108.800 0.017 0.000 2.440 502 G HA2 -0.265 3.736 3.960 0.068 0.000 0.218 502 G HA3 -0.265 3.736 3.960 0.068 0.000 0.218 502 G C 1.440 176.288 174.900 -0.087 0.000 1.154 502 G CA 0.520 45.620 45.100 0.000 0.000 0.767 502 G HN 0.183 nan 8.290 nan 0.000 0.552 503 Q N 0.326 120.083 119.800 -0.071 0.000 2.124 503 Q HA -0.080 4.301 4.340 0.068 0.000 0.202 503 Q C 2.801 178.717 176.000 -0.141 0.000 0.977 503 Q CA 1.599 57.347 55.803 -0.092 0.000 0.850 503 Q CB -1.055 27.647 28.738 -0.060 0.000 0.901 503 Q HN 0.452 nan 8.270 nan 0.000 0.429 504 T N 1.426 115.883 114.554 -0.161 0.000 2.720 504 T HA -0.135 4.256 4.350 0.068 0.000 0.268 504 T C 1.788 176.348 174.700 -0.233 0.000 1.037 504 T CA 1.052 63.045 62.100 -0.179 0.000 1.144 504 T CB -0.027 68.733 68.868 -0.181 0.000 0.864 504 T HN 0.226 nan 8.240 nan 0.000 0.444 505 R N 0.598 120.887 120.500 -0.352 0.000 2.096 505 R HA 0.021 4.401 4.340 0.068 0.000 0.235 505 R C 2.355 178.372 176.300 -0.472 0.000 1.127 505 R CA 0.880 56.634 56.100 -0.576 0.000 0.968 505 R CB -0.707 28.830 30.300 -1.271 0.000 0.861 505 R HN 0.371 nan 8.270 nan 0.000 0.440 506 I N 1.565 121.923 120.570 -0.353 0.000 2.226 506 I HA -0.203 4.008 4.170 0.068 0.000 0.245 506 I C 2.079 178.072 176.117 -0.205 0.000 1.100 506 I CA 1.266 62.432 61.300 -0.224 0.000 1.374 506 I CB -1.077 36.835 38.000 -0.147 0.000 1.057 506 I HN 0.205 nan 8.210 nan 0.000 0.413 507 E N 0.780 120.876 120.200 -0.173 0.000 2.097 507 E HA -0.271 4.119 4.350 0.068 0.000 0.196 507 E C 1.867 178.413 176.600 -0.089 0.000 1.000 507 E CA 1.822 58.145 56.400 -0.129 0.000 0.804 507 E CB -0.253 29.387 29.700 -0.100 0.000 0.740 507 E HN 0.572 nan 8.360 nan 0.000 0.454 508 N N 0.067 118.710 118.700 -0.096 0.000 2.171 508 N HA -0.113 4.668 4.740 0.068 0.000 0.184 508 N C 1.531 177.046 175.510 0.009 0.000 1.021 508 N CA 0.544 53.593 53.050 -0.002 0.000 0.854 508 N CB -0.072 38.333 38.487 -0.137 0.000 0.994 508 N HN -0.013 nan 8.380 nan 0.000 0.426 509 L N 1.770 122.934 121.223 -0.098 0.000 1.990 509 L HA -0.193 4.188 4.340 0.068 0.000 0.213 509 L C 1.955 178.793 176.870 -0.054 0.000 1.072 509 L CA 1.733 56.535 54.840 -0.063 0.000 0.755 509 L CB -1.222 40.776 42.059 -0.101 0.000 0.889 509 L HN 0.331 nan 8.230 nan 0.000 0.432 510 E N -0.872 119.217 120.200 -0.185 0.000 2.085 510 E HA -0.276 4.114 4.350 0.068 0.000 0.194 510 E C 2.004 178.612 176.600 0.014 0.000 0.994 510 E CA 1.149 57.391 56.400 -0.264 0.000 0.801 510 E CB -0.047 29.343 29.700 -0.518 0.000 0.743 510 E HN 0.376 nan 8.360 nan 0.000 0.453 511 E N 0.945 121.170 120.200 0.041 0.000 2.209 511 E HA -0.188 4.203 4.350 0.068 0.000 0.196 511 E C 1.783 178.461 176.600 0.131 0.000 0.993 511 E CA 0.490 56.923 56.400 0.056 0.000 0.819 511 E CB -0.089 29.628 29.700 0.028 0.000 0.745 511 E HN 0.139 nan 8.360 nan 0.000 0.477 512 L N -0.791 120.602 121.223 0.283 0.000 2.217 512 L HA -0.029 4.351 4.340 0.068 0.000 0.211 512 L C 1.984 178.968 176.870 0.189 0.000 1.107 512 L CA 0.977 56.024 54.840 0.345 0.000 0.783 512 L CB -0.188 42.068 42.059 0.328 0.000 0.919 512 L HN 0.055 nan 8.230 nan 0.000 0.442 513 V N -0.766 119.251 119.914 0.171 0.000 2.295 513 V HA -0.286 3.874 4.120 0.068 0.000 0.246 513 V C 2.455 178.624 176.094 0.126 0.000 1.049 513 V CA 2.203 64.612 62.300 0.182 0.000 1.024 513 V CB -1.062 30.957 31.823 0.327 0.000 0.648 513 V HN 0.506 nan 8.190 nan 0.000 0.447 514 T N 0.566 115.181 114.554 0.103 0.000 2.665 514 T HA -0.239 4.152 4.350 0.068 0.000 0.268 514 T C 2.064 176.777 174.700 0.023 0.000 1.035 514 T CA 1.865 63.982 62.100 0.028 0.000 1.151 514 T CB -0.492 68.373 68.868 -0.005 0.000 0.862 514 T HN 0.586 nan 8.240 nan 0.000 0.438 515 A N 1.757 124.610 122.820 0.055 0.000 1.877 515 A HA -0.149 4.211 4.320 0.068 0.000 0.216 515 A C 2.656 180.354 177.584 0.189 0.000 1.186 515 A CA 2.429 54.558 52.037 0.153 0.000 0.620 515 A CB -1.350 17.808 19.000 0.265 0.000 0.822 515 A HN 0.654 nan 8.150 nan 0.000 0.443 516 T N -1.768 112.771 114.554 -0.025 0.000 2.777 516 T HA -0.189 4.202 4.350 0.068 0.000 0.266 516 T C 1.977 176.675 174.700 -0.003 0.000 1.040 516 T CA 1.428 63.366 62.100 -0.270 0.000 1.141 516 T CB -0.348 68.243 68.868 -0.461 0.000 0.868 516 T HN 0.501 nan 8.240 nan 0.000 0.444 517 R N 1.371 121.867 120.500 -0.006 0.000 2.083 517 R HA -0.095 4.286 4.340 0.068 0.000 0.237 517 R C 2.636 178.908 176.300 -0.047 0.000 1.137 517 R CA 1.737 57.751 56.100 -0.143 0.000 0.951 517 R CB -0.358 29.724 30.300 -0.364 0.000 0.851 517 R HN 0.554 nan 8.270 nan 0.000 0.434 518 Q N -1.108 118.702 119.800 0.017 0.000 2.378 518 Q HA -0.107 4.273 4.340 0.068 0.000 0.205 518 Q C 1.634 177.690 176.000 0.094 0.000 0.954 518 Q CA 0.992 56.815 55.803 0.033 0.000 0.901 518 Q CB 0.029 28.786 28.738 0.033 0.000 0.981 518 Q HN 0.367 nan 8.270 nan 0.000 0.483 519 F N 1.469 121.441 119.950 0.036 0.000 2.179 519 F HA 0.055 4.623 4.527 0.069 0.000 0.292 519 F C 1.526 177.349 175.800 0.039 0.000 1.089 519 F CA 0.652 58.696 58.000 0.072 0.000 1.295 519 F CB -0.404 38.742 39.000 0.244 0.000 1.041 519 F HN -0.007 nan 8.300 nan 0.000 0.487 527 D N -0.163 120.274 120.400 0.062 0.000 2.804 527 D HA 0.345 5.026 4.640 0.068 0.000 0.209 527 D C 0.886 177.229 176.300 0.072 0.000 1.314 527 D CA -0.034 54.020 54.000 0.090 0.000 0.894 527 D CB 1.969 42.800 40.800 0.051 0.000 1.615 527 D HN 0.351 nan 8.370 nan 0.000 0.571 528 L N -1.761 119.513 121.223 0.084 0.000 2.758 528 L HA 0.540 4.921 4.340 0.068 0.000 0.234 528 L C 0.117 177.019 176.870 0.052 0.000 1.049 528 L CA -0.148 54.726 54.840 0.056 0.000 0.908 528 L CB 0.426 42.515 42.059 0.050 0.000 1.362 528 L HN 0.165 nan 8.230 nan 0.000 0.499 529 M N -0.233 119.408 119.600 0.069 0.000 2.575 529 M HA 0.481 5.002 4.480 0.068 0.000 0.284 529 M C -2.217 174.151 176.300 0.112 0.000 1.253 529 M CA -1.355 53.987 55.300 0.070 0.000 0.861 529 M CB 2.234 34.863 32.600 0.048 0.000 1.733 529 M HN -0.385 nan 8.290 nan 0.000 0.462 530 P HA -0.187 nan 4.420 nan 0.000 0.216 530 P C 1.365 178.777 177.300 0.186 0.000 1.154 530 P CA 1.170 64.390 63.100 0.200 0.000 0.865 530 P CB 0.098 31.893 31.700 0.158 0.000 0.789 531 L N -0.468 120.822 121.223 0.111 0.000 1.994 531 L HA -0.219 4.162 4.340 0.068 0.000 0.208 531 L C 2.256 179.192 176.870 0.109 0.000 1.071 531 L CA 2.058 56.957 54.840 0.097 0.000 0.745 531 L CB -1.519 40.573 42.059 0.056 0.000 0.892 531 L HN -0.155 nan 8.230 nan 0.000 0.431 532 Q N -0.204 119.645 119.800 0.081 0.000 2.096 532 Q HA -0.132 4.248 4.340 0.068 0.000 0.204 532 Q C 2.274 178.314 176.000 0.067 0.000 0.982 532 Q CA 2.075 57.913 55.803 0.058 0.000 0.850 532 Q CB -0.651 28.113 28.738 0.043 0.000 0.901 532 Q HN 0.686 nan 8.270 nan 0.000 0.422 533 A N -0.282 122.618 122.820 0.133 0.000 1.898 533 A HA -0.170 4.191 4.320 0.068 0.000 0.216 533 A C 1.933 179.568 177.584 0.086 0.000 1.181 533 A CA 1.237 53.396 52.037 0.204 0.000 0.620 533 A CB -0.825 18.405 19.000 0.383 0.000 0.819 533 A HN 0.451 nan 8.150 nan 0.000 0.442 534 F N 0.632 120.416 119.950 -0.278 0.000 2.134 534 F HA -0.126 4.440 4.527 0.064 0.000 0.299 534 F C 1.884 177.466 175.800 -0.363 0.000 1.097 534 F CA 1.650 59.180 58.000 -0.783 0.000 1.264 534 F CB -0.264 38.323 39.000 -0.689 0.000 1.001 534 F HN 0.132 nan 8.300 nan 0.000 0.479 535 L N -0.966 120.145 121.223 -0.188 0.000 2.093 535 L HA -0.204 4.177 4.340 0.068 0.000 0.208 535 L C 2.735 179.446 176.870 -0.266 0.000 1.085 535 L CA 1.391 56.101 54.840 -0.216 0.000 0.755 535 L CB -0.957 41.078 42.059 -0.039 0.000 0.904 535 L HN 0.208 nan 8.230 nan 0.000 0.435 536 S N -0.778 114.823 115.700 -0.165 0.000 2.356 536 S HA -0.278 4.233 4.470 0.068 0.000 0.223 536 S C 2.075 176.573 174.600 -0.169 0.000 1.032 536 S CA 1.600 59.728 58.200 -0.118 0.000 1.005 536 S CB -0.238 62.948 63.200 -0.022 0.000 0.867 536 S HN 0.596 nan 8.310 nan 0.000 0.449 537 H N 1.343 120.228 119.070 -0.309 0.000 2.290 537 H HA 0.024 4.621 4.556 0.068 0.000 0.298 537 H C 2.095 177.064 175.328 -0.599 0.000 1.087 537 H CA 2.200 58.040 56.048 -0.346 0.000 1.291 537 H CB -0.897 28.680 29.762 -0.310 0.000 1.369 537 H HN 0.380 nan 8.280 nan 0.000 0.492 538 A N 0.800 122.947 122.820 -1.121 0.000 1.902 538 A HA -0.055 4.306 4.320 0.068 0.000 0.217 538 A C 2.621 179.710 177.584 -0.824 0.000 1.181 538 A CA 1.858 52.982 52.037 -1.522 0.000 0.623 538 A CB -1.343 16.853 19.000 -1.340 0.000 0.818 538 A HN 0.651 nan 8.150 nan 0.000 0.443 539 A N -1.256 121.269 122.820 -0.492 0.000 2.067 539 A HA 0.145 4.505 4.320 0.068 0.000 0.219 539 A C 2.006 179.461 177.584 -0.216 0.000 1.158 539 A CA 1.467 53.341 52.037 -0.272 0.000 0.661 539 A CB -0.382 18.510 19.000 -0.181 0.000 0.801 539 A HN 0.440 nan 8.150 nan 0.000 0.452 540 L N 0.102 121.173 121.223 -0.254 0.000 1.984 540 L HA 0.098 4.478 4.340 0.068 0.000 0.207 540 L C 1.447 178.228 176.870 -0.149 0.000 1.111 540 L CA 1.737 56.480 54.840 -0.161 0.000 0.770 540 L CB -0.623 41.365 42.059 -0.118 0.000 0.900 540 L HN 0.638 nan 8.230 nan 0.000 0.441 544 E N -1.267 118.915 120.200 -0.030 0.000 9.212 544 E HA 0.415 4.805 4.350 0.068 0.000 0.454 544 E C 1.714 178.293 176.600 -0.034 0.000 1.405 544 E CA 1.426 57.808 56.400 -0.030 0.000 2.440 544 E CB -1.422 nan 29.700 nan 0.000 1.035 544 E HN 3.049 nan 8.360 nan 0.000 0.400 545 G N -0.683 108.085 108.800 -0.053 0.000 2.686 545 G HA2 0.464 4.464 3.960 0.068 0.000 0.211 545 G HA3 0.464 4.464 3.960 0.068 0.000 0.211 545 G C 0.702 175.576 174.900 -0.043 0.000 0.829 545 G CA 1.782 46.854 45.100 -0.046 0.000 0.993 545 G HN 3.070 nan 8.290 nan 0.000 0.330 546 Q N -1.675 118.083 119.800 -0.069 0.000 2.430 546 Q HA 0.369 4.750 4.340 0.068 0.000 0.282 546 Q C 1.541 177.526 176.000 -0.026 0.000 1.301 546 Q CA 1.670 57.452 55.803 -0.036 0.000 0.754 546 Q CB -2.220 nan 28.738 nan 0.000 1.158 546 Q HN 2.861 nan 8.270 nan 0.000 0.417 547 A N -0.266 122.527 122.820 -0.046 0.000 2.567 547 A HA 0.501 4.861 4.320 0.068 0.000 0.240 547 A C 1.285 178.877 177.584 0.013 0.000 1.053 547 A CA 1.305 53.328 52.037 -0.025 0.000 0.755 547 A CB -0.452 nan 19.000 nan 0.000 0.978 547 A HN 1.903 nan 8.150 nan 0.000 0.507 548 D N 1.651 122.067 120.400 0.026 0.000 2.347 548 D HA 0.180 4.861 4.640 0.068 0.000 0.215 548 D C 0.804 177.153 176.300 0.080 0.000 0.976 548 D CA 1.233 55.264 54.000 0.053 0.000 0.884 548 D CB -0.460 40.363 40.800 0.038 0.000 0.915 548 D HN 0.655 nan 8.370 nan 0.000 0.526 549 T N 0.630 115.223 114.554 0.064 0.000 2.779 549 T HA 0.204 4.595 4.350 0.068 0.000 0.296 549 T C -0.126 174.650 174.700 0.126 0.000 0.938 549 T CA -0.756 61.396 62.100 0.087 0.000 1.119 549 T CB 0.527 69.417 68.868 0.038 0.000 0.891 549 T HN 0.447 nan 8.240 nan 0.000 0.526 550 W N 4.843 126.146 121.300 0.006 0.000 2.308 550 W HA 0.170 4.873 4.660 0.070 0.000 0.324 550 W C -0.385 176.142 176.519 0.014 0.000 1.387 550 W CA -0.483 56.869 57.345 0.013 0.000 1.250 550 W CB 0.327 29.797 29.460 0.017 0.000 1.257 550 W HN 0.718 nan 8.180 nan 0.000 0.554 551 Q N 3.209 122.532 119.800 -0.794 0.000 2.456 551 Q HA 0.188 4.568 4.340 0.068 0.000 0.283 551 Q C -1.284 174.166 176.000 -0.917 0.000 1.084 551 Q CA -1.089 54.316 55.803 -0.664 0.000 0.801 551 Q CB 1.884 30.441 28.738 -0.303 0.000 1.434 551 Q HN 0.364 nan 8.270 nan 0.000 0.419 552 D N 0.580 120.712 120.400 -0.447 0.000 2.401 552 D HA 0.393 5.073 4.640 0.068 0.000 0.254 552 D C -1.364 174.815 176.300 -0.202 0.000 1.192 552 D CA 0.380 54.233 54.000 -0.245 0.000 0.885 552 D CB 0.620 41.401 40.800 -0.033 0.000 1.147 552 D HN 0.657 nan 8.370 nan 0.000 0.478 553 A N 3.331 126.047 122.820 -0.173 0.000 2.486 553 A HA 0.510 4.871 4.320 0.068 0.000 0.300 553 A C -0.732 176.856 177.584 0.006 0.000 1.048 553 A CA -0.860 51.118 52.037 -0.098 0.000 0.696 553 A CB 1.350 20.242 19.000 -0.179 0.000 1.278 553 A HN 0.383 nan 8.150 nan 0.000 0.405 554 V N 2.705 122.649 119.914 0.050 0.000 2.788 554 V HA 0.069 4.230 4.120 0.068 0.000 0.307 554 V C 0.030 176.162 176.094 0.064 0.000 1.069 554 V CA 0.228 62.557 62.300 0.048 0.000 1.173 554 V CB 0.748 32.593 31.823 0.035 0.000 0.925 554 V HN 0.810 nan 8.190 nan 0.000 0.492 555 Q N 3.984 123.774 119.800 -0.016 0.000 2.340 555 Q HA 0.506 4.886 4.340 0.068 0.000 0.259 555 Q C -1.065 174.906 176.000 -0.049 0.000 0.964 555 Q CA -0.625 55.176 55.803 -0.003 0.000 0.900 555 Q CB 1.686 30.373 28.738 -0.085 0.000 1.228 555 Q HN 0.460 nan 8.270 nan 0.000 0.449 556 L N 4.217 125.491 121.223 0.086 0.000 2.317 556 L HA 0.626 5.006 4.340 0.068 0.000 0.281 556 L C 0.042 176.938 176.870 0.043 0.000 1.024 556 L CA -0.096 54.792 54.840 0.079 0.000 0.810 556 L CB 1.336 43.537 42.059 0.236 0.000 1.240 556 L HN 0.642 nan 8.230 nan 0.000 0.427 557 M N -0.159 119.258 119.600 -0.305 0.000 2.732 557 M HA 0.362 4.883 4.480 0.068 0.000 0.272 557 M C -0.507 175.271 176.300 -0.869 0.000 1.203 557 M CA -0.646 54.485 55.300 -0.282 0.000 0.841 557 M CB 1.673 34.292 32.600 0.033 0.000 1.685 557 M HN 0.378 nan 8.290 nan 0.000 0.492 558 T N 0.526 114.847 114.554 -0.388 0.000 2.855 558 T HA 0.260 4.651 4.350 0.068 0.000 0.322 558 T C 1.148 175.728 174.700 -0.200 0.000 1.088 558 T CA 0.001 61.946 62.100 -0.259 0.000 1.104 558 T CB 0.276 69.194 68.868 0.083 0.000 0.996 558 T HN 0.626 nan 8.240 nan 0.000 0.549 559 L N 2.534 123.617 121.223 -0.233 0.000 2.079 559 L HA -0.117 4.264 4.340 0.068 0.000 0.210 559 L C 2.454 179.247 176.870 -0.128 0.000 1.081 559 L CA 1.680 56.382 54.840 -0.229 0.000 0.752 559 L CB -0.567 41.257 42.059 -0.392 0.000 0.896 559 L HN 0.829 nan 8.230 nan 0.000 0.433 560 H N -1.479 117.597 119.070 0.009 0.000 2.353 560 H HA -0.126 4.470 4.556 0.067 0.000 0.300 560 H C 2.438 177.911 175.328 0.241 0.000 1.090 560 H CA 1.625 57.761 56.048 0.147 0.000 1.327 560 H CB 0.023 29.960 29.762 0.293 0.000 1.383 560 H HN 0.187 nan 8.280 nan 0.000 0.508 561 S N -0.248 115.641 115.700 0.315 0.000 2.481 561 S HA 0.001 4.512 4.470 0.068 0.000 0.231 561 S C 2.078 176.869 174.600 0.319 0.000 0.996 561 S CA 0.556 58.952 58.200 0.327 0.000 0.942 561 S CB 0.020 63.391 63.200 0.285 0.000 0.768 561 S HN 0.539 nan 8.310 nan 0.000 0.520 562 A N 1.019 123.947 122.820 0.181 0.000 2.238 562 A HA 0.163 4.524 4.320 0.068 0.000 0.208 562 A C 0.986 178.640 177.584 0.115 0.000 1.177 562 A CA 0.109 52.226 52.037 0.133 0.000 0.804 562 A CB -0.235 18.796 19.000 0.051 0.000 0.823 562 A HN 0.304 nan 8.150 nan 0.000 0.482 563 K N 0.328 120.820 120.400 0.155 0.000 2.472 563 K HA 0.294 4.655 4.320 0.068 0.000 0.280 563 K C 1.126 177.789 176.600 0.105 0.000 1.028 563 K CA 1.129 57.489 56.287 0.121 0.000 1.045 563 K CB -0.398 32.227 32.500 0.208 0.000 0.902 563 K HN 0.839 nan 8.250 nan 0.000 0.478 564 G N 3.049 111.872 108.800 0.039 0.000 2.179 564 G HA2 -0.263 3.737 3.960 0.068 0.000 0.260 564 G HA3 -0.263 3.737 3.960 0.068 0.000 0.260 564 G C 0.011 174.889 174.900 -0.037 0.000 0.977 564 G CA 0.473 45.580 45.100 0.011 0.000 0.641 564 G HN 0.478 nan 8.290 nan 0.000 0.533 565 L N 0.128 121.320 121.223 -0.053 0.000 2.448 565 L HA 0.797 5.177 4.340 0.068 0.000 0.258 565 L C 0.589 177.327 176.870 -0.220 0.000 1.104 565 L CA -0.563 54.172 54.840 -0.174 0.000 0.800 565 L CB 1.155 43.127 42.059 -0.145 0.000 1.241 565 L HN 0.545 nan 8.230 nan 0.000 0.472 566 E N 0.077 119.977 120.200 -0.500 0.000 2.363 566 E HA 0.601 4.992 4.350 0.068 0.000 0.281 566 E C -1.878 174.289 176.600 -0.721 0.000 0.953 566 E CA -0.712 55.458 56.400 -0.384 0.000 0.778 566 E CB 1.867 31.431 29.700 -0.227 0.000 1.220 566 E HN 0.281 nan 8.360 nan 0.000 0.431 567 F N 1.076 120.974 119.950 -0.086 0.000 2.619 567 F HA 0.377 4.947 4.527 0.071 0.000 0.308 567 F C -2.060 173.669 175.800 -0.118 0.000 1.097 567 F CA -2.150 55.797 58.000 -0.088 0.000 0.953 567 F CB 2.335 41.271 39.000 -0.105 0.000 1.287 567 F HN 0.307 nan 8.300 nan 0.000 0.446 568 P HA -0.110 nan 4.420 nan 0.000 0.216 568 P C -0.424 176.731 177.300 -0.242 0.000 1.153 568 P CA 1.524 64.590 63.100 -0.057 0.000 0.848 568 P CB 0.284 31.994 31.700 0.017 0.000 0.787 569 Q N -0.424 119.165 119.800 -0.352 0.000 2.331 569 Q HA 0.416 4.797 4.340 0.068 0.000 0.267 569 Q C -1.103 174.677 176.000 -0.366 0.000 1.006 569 Q CA -0.539 54.955 55.803 -0.514 0.000 0.818 569 Q CB 2.737 31.023 28.738 -0.753 0.000 1.276 569 Q HN -0.129 nan 8.270 nan 0.000 0.450 570 V N 3.567 123.213 119.914 -0.445 0.000 2.540 570 V HA 0.531 4.692 4.120 0.068 0.000 0.302 570 V C -0.949 174.823 176.094 -0.536 0.000 1.035 570 V CA -0.649 61.454 62.300 -0.328 0.000 0.873 570 V CB 1.379 33.102 31.823 -0.167 0.000 0.992 570 V HN 0.549 nan 8.190 nan 0.000 0.428 571 F N 4.618 124.502 119.950 -0.111 0.000 2.427 571 F HA 0.609 5.178 4.527 0.069 0.000 0.348 571 F C 0.113 175.906 175.800 -0.011 0.000 1.125 571 F CA -0.613 57.367 58.000 -0.032 0.000 0.989 571 F CB 1.389 40.372 39.000 -0.028 0.000 1.165 571 F HN 0.221 nan 8.300 nan 0.000 0.442 572 I N 5.171 125.836 120.570 0.158 0.000 2.312 572 I HA 0.388 4.599 4.170 0.068 0.000 0.290 572 I C -0.093 176.149 176.117 0.208 0.000 1.008 572 I CA -1.008 60.379 61.300 0.145 0.000 1.226 572 I CB 0.950 39.026 38.000 0.128 0.000 1.371 572 I HN 0.371 nan 8.210 nan 0.000 0.468 573 V N 2.344 122.378 119.914 0.200 0.000 3.109 573 V HA 0.826 4.987 4.120 0.068 0.000 0.317 573 V C 0.994 177.200 176.094 0.187 0.000 1.074 573 V CA -0.198 62.224 62.300 0.204 0.000 1.033 573 V CB 1.135 33.063 31.823 0.177 0.000 1.111 573 V HN 1.037 nan 8.190 nan 0.000 0.458 574 G N 2.231 111.129 108.800 0.164 0.000 2.273 574 G HA2 -0.188 3.813 3.960 0.068 0.000 0.280 574 G HA3 -0.188 3.813 3.960 0.068 0.000 0.280 574 G C 0.118 175.128 174.900 0.183 0.000 1.047 574 G CA 0.357 45.535 45.100 0.130 0.000 0.869 574 G HN 0.793 nan 8.290 nan 0.000 0.502 575 M N 0.911 120.649 119.600 0.230 0.000 3.596 575 M HA 0.257 4.777 4.480 0.068 0.000 0.212 575 M C 0.475 176.797 176.300 0.037 0.000 1.519 575 M CA 0.717 56.130 55.300 0.189 0.000 1.670 575 M CB -1.017 31.682 32.600 0.164 0.000 1.113 575 M HN 0.434 nan 8.290 nan 0.000 0.565 576 E N 0.409 120.624 120.200 0.025 0.000 2.266 576 E HA 0.312 4.702 4.350 0.068 0.000 0.268 576 E C -0.516 176.027 176.600 -0.095 0.000 0.879 576 E CA -0.812 55.558 56.400 -0.049 0.000 0.762 576 E CB 1.968 31.627 29.700 -0.069 0.000 1.199 576 E HN 0.196 nan 8.360 nan 0.000 0.422 577 E N 0.958 121.103 120.200 -0.091 0.000 2.415 577 E HA 0.105 4.496 4.350 0.068 0.000 0.263 577 E C 0.918 177.519 176.600 0.002 0.000 0.995 577 E CA 1.047 57.393 56.400 -0.089 0.000 0.915 577 E CB 1.101 30.753 29.700 -0.081 0.000 0.951 577 E HN 0.883 nan 8.360 nan 0.000 0.449 578 G N 3.314 112.110 108.800 -0.007 0.000 2.284 578 G HA2 -0.291 3.709 3.960 0.068 0.000 0.230 578 G HA3 -0.291 3.709 3.960 0.068 0.000 0.230 578 G C 0.972 175.855 174.900 -0.028 0.000 1.021 578 G CA 0.417 45.540 45.100 0.038 0.000 0.619 578 G HN 0.418 nan 8.290 nan 0.000 0.510 579 M N -1.364 118.169 119.600 -0.112 0.000 2.398 579 M HA 0.531 5.052 4.480 0.068 0.000 0.261 579 M C 0.491 176.886 176.300 0.159 0.000 1.125 579 M CA 0.788 56.057 55.300 -0.052 0.000 1.183 579 M CB -0.396 32.118 32.600 -0.144 0.000 1.322 579 M HN 0.479 nan 8.290 nan 0.000 0.467 580 F N 2.619 122.546 119.950 -0.040 0.000 3.152 580 F HA 0.449 5.015 4.527 0.065 0.000 0.367 580 F C -2.742 173.056 175.800 -0.004 0.000 1.272 580 F CA -3.210 54.821 58.000 0.052 0.000 1.172 580 F CB 0.926 39.990 39.000 0.106 0.000 1.552 580 F HN -0.135 nan 8.300 nan 0.000 0.616 581 P HA 0.112 nan 4.420 nan 0.000 0.268 581 P C -0.242 177.146 177.300 0.146 0.000 1.204 581 P CA 0.268 63.407 63.100 0.064 0.000 0.768 581 P CB 0.854 32.490 31.700 -0.107 0.000 0.842 582 S N 2.069 117.906 115.700 0.228 0.000 2.568 582 S HA -0.041 4.469 4.470 0.068 0.000 0.282 582 S C 1.490 176.136 174.600 0.077 0.000 1.338 582 S CA -0.285 57.995 58.200 0.133 0.000 1.045 582 S CB 0.395 63.665 63.200 0.116 0.000 0.873 582 S HN 0.490 nan 8.310 nan 0.000 0.516 583 Q N 1.746 121.580 119.800 0.057 0.000 2.084 583 Q HA -0.067 4.314 4.340 0.068 0.000 0.202 583 Q C 1.912 177.940 176.000 0.046 0.000 0.978 583 Q CA 1.674 57.508 55.803 0.051 0.000 0.844 583 Q CB -0.369 28.404 28.738 0.058 0.000 0.898 583 Q HN 0.815 nan 8.270 nan 0.000 0.426 584 M N -0.552 119.074 119.600 0.043 0.000 2.255 584 M HA -0.147 4.373 4.480 0.068 0.000 0.259 584 M C 0.412 176.742 176.300 0.049 0.000 1.071 584 M CA 1.261 56.585 55.300 0.039 0.000 1.074 584 M CB -0.074 32.542 32.600 0.028 0.000 1.384 584 M HN 0.119 nan 8.290 nan 0.000 0.415 585 S N 2.496 118.232 115.700 0.059 0.000 3.036 585 S HA 0.307 4.817 4.470 0.068 0.000 0.301 585 S C -0.017 174.608 174.600 0.041 0.000 1.205 585 S CA -0.840 57.394 58.200 0.058 0.000 0.999 585 S CB -0.490 62.756 63.200 0.076 0.000 1.337 585 S HN 0.328 nan 8.310 nan 0.000 0.515 590 G N 0.226 109.047 108.800 0.035 0.000 2.744 590 G HA2 0.168 4.168 3.960 0.068 0.000 0.211 590 G HA3 0.168 4.168 3.960 0.068 0.000 0.211 590 G C 1.546 176.478 174.900 0.054 0.000 1.146 590 G CA 0.411 45.534 45.100 0.040 0.000 0.787 590 G HN 0.266 nan 8.290 nan 0.000 0.534 591 R N -0.264 120.274 120.500 0.064 0.000 2.237 591 R HA 0.323 4.703 4.340 0.068 0.000 0.195 591 R C 2.219 178.577 176.300 0.097 0.000 0.956 591 R CA -0.253 55.899 56.100 0.086 0.000 1.029 591 R CB -0.399 29.956 30.300 0.091 0.000 0.972 591 R HN 0.308 nan 8.270 nan 0.000 0.493 592 L N 1.328 122.600 121.223 0.081 0.000 2.083 592 L HA -0.173 4.207 4.340 0.068 0.000 0.209 592 L C 2.186 179.123 176.870 0.112 0.000 1.083 592 L CA 1.557 56.457 54.840 0.100 0.000 0.752 592 L CB -0.190 41.908 42.059 0.066 0.000 0.899 592 L HN 0.208 nan 8.230 nan 0.000 0.433 593 E N -0.540 119.702 120.200 0.069 0.000 2.110 593 E HA -0.299 4.091 4.350 0.068 0.000 0.193 593 E C 1.991 178.609 176.600 0.029 0.000 0.988 593 E CA 1.346 57.769 56.400 0.038 0.000 0.804 593 E CB -0.039 29.670 29.700 0.015 0.000 0.745 593 E HN 0.497 nan 8.360 nan 0.000 0.458 594 E N 0.781 121.018 120.200 0.062 0.000 2.106 594 E HA -0.199 4.192 4.350 0.068 0.000 0.192 594 E C 1.878 178.535 176.600 0.095 0.000 0.984 594 E CA 0.763 57.207 56.400 0.073 0.000 0.806 594 E CB 0.225 29.996 29.700 0.118 0.000 0.750 594 E HN 0.109 nan 8.360 nan 0.000 0.458 595 E N 0.483 120.775 120.200 0.153 0.000 2.085 595 E HA -0.233 4.157 4.350 0.068 0.000 0.194 595 E C 2.111 178.698 176.600 -0.021 0.000 0.994 595 E CA 0.996 57.540 56.400 0.241 0.000 0.801 595 E CB -0.271 29.637 29.700 0.347 0.000 0.743 595 E HN 0.226 nan 8.360 nan 0.000 0.453 596 R N 0.798 121.207 120.500 -0.151 0.000 2.092 596 R HA -0.028 4.353 4.340 0.068 0.000 0.231 596 R C 2.387 178.500 176.300 -0.311 0.000 1.119 596 R CA 0.937 56.710 56.100 -0.545 0.000 0.970 596 R CB 0.070 30.216 30.300 -0.256 0.000 0.864 596 R HN 0.017 nan 8.270 nan 0.000 0.440 597 R N 0.157 120.576 120.500 -0.135 0.000 2.091 597 R HA -0.133 4.247 4.340 0.068 0.000 0.238 597 R C 2.237 178.531 176.300 -0.010 0.000 1.136 597 R CA 1.305 57.363 56.100 -0.070 0.000 0.959 597 R CB -0.456 29.813 30.300 -0.051 0.000 0.856 597 R HN 0.289 nan 8.270 nan 0.000 0.437 598 L N 0.457 121.671 121.223 -0.015 0.000 2.093 598 L HA -0.118 4.263 4.340 0.068 0.000 0.208 598 L C 2.257 179.176 176.870 0.082 0.000 1.085 598 L CA 1.647 56.478 54.840 -0.014 0.000 0.755 598 L CB -0.694 41.367 42.059 0.003 0.000 0.904 598 L HN 0.196 nan 8.230 nan 0.000 0.435 599 A N -0.942 121.944 122.820 0.110 0.000 1.902 599 A HA -0.315 4.046 4.320 0.068 0.000 0.217 599 A C 2.126 179.706 177.584 -0.007 0.000 1.181 599 A CA 1.635 53.690 52.037 0.031 0.000 0.623 599 A CB -1.006 17.622 19.000 -0.620 0.000 0.818 599 A HN 0.587 nan 8.150 nan 0.000 0.443 600 Y N 0.385 120.578 120.300 -0.179 0.000 2.224 600 Y HA -0.156 4.434 4.550 0.067 0.000 0.289 600 Y C 2.279 178.127 175.900 -0.086 0.000 1.146 600 Y CA 1.765 59.789 58.100 -0.126 0.000 1.182 600 Y CB -0.185 38.198 38.460 -0.128 0.000 0.983 600 Y HN 0.070 nan 8.280 nan 0.000 0.524 601 V N -0.026 119.896 119.914 0.013 0.000 2.343 601 V HA -0.275 3.886 4.120 0.068 0.000 0.247 601 V C 2.577 178.608 176.094 -0.105 0.000 1.051 601 V CA 1.964 64.215 62.300 -0.081 0.000 1.036 601 V CB -1.460 30.330 31.823 -0.056 0.000 0.654 601 V HN 0.632 nan 8.190 nan 0.000 0.451 602 G N -0.234 108.527 108.800 -0.065 0.000 2.433 602 G HA2 -0.215 3.785 3.960 0.068 0.000 0.216 602 G HA3 -0.215 3.785 3.960 0.068 0.000 0.216 602 G C 1.687 176.544 174.900 -0.071 0.000 1.186 602 G CA 1.221 46.288 45.100 -0.054 0.000 0.779 602 G HN 0.372 nan 8.290 nan 0.000 0.543 603 V N 1.837 121.699 119.914 -0.086 0.000 2.324 603 V HA -0.192 3.968 4.120 0.068 0.000 0.250 603 V C 3.080 179.075 176.094 -0.165 0.000 1.060 603 V CA 2.325 64.558 62.300 -0.112 0.000 1.042 603 V CB -1.072 30.690 31.823 -0.101 0.000 0.650 603 V HN 0.651 nan 8.190 nan 0.000 0.450 604 T N -2.530 111.873 114.554 -0.252 0.000 3.194 604 T HA 0.032 4.423 4.350 0.068 0.000 0.251 604 T C 1.656 176.260 174.700 -0.160 0.000 1.132 604 T CA 0.026 61.966 62.100 -0.265 0.000 1.028 604 T CB -0.146 68.466 68.868 -0.427 0.000 0.976 604 T HN 0.257 nan 8.240 nan 0.000 0.535 605 R N 1.600 122.039 120.500 -0.102 0.000 2.200 605 R HA 0.394 4.775 4.340 0.068 0.000 0.208 605 R C 1.186 177.474 176.300 -0.020 0.000 1.033 605 R CA 0.348 56.428 56.100 -0.032 0.000 1.000 605 R CB -0.860 29.470 30.300 0.049 0.000 0.906 605 R HN 0.545 nan 8.270 nan 0.000 0.462 606 A N 1.083 123.870 122.820 -0.055 0.000 2.404 606 A HA 0.297 4.658 4.320 0.068 0.000 0.273 606 A C 1.053 178.595 177.584 -0.070 0.000 1.144 606 A CA -0.186 51.814 52.037 -0.063 0.000 0.806 606 A CB 0.281 19.219 19.000 -0.103 0.000 1.080 606 A HN 0.113 nan 8.150 nan 0.000 0.509 607 M N 1.172 120.738 119.600 -0.056 0.000 2.171 607 M HA -0.070 4.450 4.480 0.068 0.000 0.260 607 M C 2.074 178.347 176.300 -0.044 0.000 1.087 607 M CA 1.690 56.961 55.300 -0.048 0.000 1.154 607 M CB -0.145 32.437 32.600 -0.029 0.000 1.331 607 M HN 0.866 nan 8.290 nan 0.000 0.431 608 Q N -0.703 119.064 119.800 -0.054 0.000 2.387 608 Q HA 0.130 4.511 4.340 0.068 0.000 0.212 608 Q C 0.138 176.095 176.000 -0.072 0.000 0.925 608 Q CA 0.494 56.274 55.803 -0.037 0.000 0.901 608 Q CB 0.722 29.464 28.738 0.007 0.000 1.020 608 Q HN 0.009 nan 8.270 nan 0.000 0.545 609 K N 0.581 120.894 120.400 -0.144 0.000 2.535 609 K HA 0.412 4.773 4.320 0.068 0.000 0.251 609 K C -2.228 174.218 176.600 -0.256 0.000 0.942 609 K CA -0.515 55.665 56.287 -0.178 0.000 0.798 609 K CB 1.791 34.164 32.500 -0.212 0.000 1.267 609 K HN -0.023 nan 8.250 nan 0.000 0.434 610 L N 2.585 123.686 121.223 -0.204 0.000 2.346 610 L HA 0.708 5.088 4.340 0.068 0.000 0.276 610 L C -1.295 175.456 176.870 -0.197 0.000 1.006 610 L CA 0.260 54.970 54.840 -0.217 0.000 0.817 610 L CB 2.329 44.317 42.059 -0.119 0.000 1.272 610 L HN 0.716 nan 8.230 nan 0.000 0.421 611 T N 5.956 120.358 114.554 -0.253 0.000 2.848 611 T HA 0.623 5.014 4.350 0.068 0.000 0.285 611 T C -0.742 174.013 174.700 0.090 0.000 0.995 611 T CA -0.355 61.709 62.100 -0.059 0.000 0.970 611 T CB 1.092 69.910 68.868 -0.083 0.000 0.976 611 T HN 0.451 nan 8.240 nan 0.000 0.441 612 L N 3.550 124.873 121.223 0.167 0.000 2.341 612 L HA 0.755 5.136 4.340 0.068 0.000 0.278 612 L C 0.463 177.499 176.870 0.277 0.000 1.005 612 L CA -0.869 54.093 54.840 0.203 0.000 0.818 612 L CB 1.988 44.145 42.059 0.163 0.000 1.259 612 L HN 0.756 nan 8.230 nan 0.000 0.418 613 T N -0.736 113.998 114.554 0.301 0.000 2.906 613 T HA 0.793 5.184 4.350 0.068 0.000 0.295 613 T C -0.943 173.952 174.700 0.325 0.000 1.075 613 T CA -0.706 61.565 62.100 0.286 0.000 1.005 613 T CB 2.153 71.194 68.868 0.288 0.000 1.136 613 T HN 0.578 nan 8.240 nan 0.000 0.498 614 Y N -1.286 119.028 120.300 0.024 0.000 2.677 614 Y HA 0.811 5.416 4.550 0.092 0.000 0.334 614 Y C -1.302 174.562 175.900 -0.061 0.000 1.196 614 Y CA -1.680 56.417 58.100 -0.004 0.000 1.059 614 Y CB 0.779 39.234 38.460 -0.009 0.000 1.315 614 Y HN 1.009 nan 8.280 nan 0.000 0.455 615 A N 1.299 124.092 122.820 -0.046 0.000 2.374 615 A HA 0.546 4.906 4.320 0.068 0.000 0.317 615 A C 0.155 177.684 177.584 -0.092 0.000 1.094 615 A CA -0.749 51.187 52.037 -0.168 0.000 0.765 615 A CB 1.376 20.312 19.000 -0.107 0.000 1.268 615 A HN 0.951 nan 8.150 nan 0.000 0.438 616 E N 0.147 120.218 120.200 -0.215 0.000 2.072 616 E HA -0.051 4.340 4.350 0.068 0.000 0.191 616 E C 0.526 176.988 176.600 -0.231 0.000 0.985 616 E CA 1.667 57.970 56.400 -0.161 0.000 0.801 616 E CB -0.010 29.541 29.700 -0.248 0.000 0.750 616 E HN 0.817 nan 8.360 nan 0.000 0.452 617 T N -1.329 112.976 114.554 -0.415 0.000 2.906 617 T HA 0.597 4.987 4.350 0.068 0.000 0.295 617 T C -0.482 174.082 174.700 -0.226 0.000 1.061 617 T CA -1.078 60.761 62.100 -0.435 0.000 1.000 617 T CB 2.616 71.026 68.868 -0.763 0.000 1.103 617 T HN -0.154 nan 8.240 nan 0.000 0.486 618 R N 0.642 121.084 120.500 -0.097 0.000 2.628 618 R HA 0.449 4.830 4.340 0.068 0.000 0.288 618 R C -0.616 175.655 176.300 -0.048 0.000 0.980 618 R CA -0.909 55.170 56.100 -0.036 0.000 0.891 618 R CB 2.624 32.969 30.300 0.075 0.000 1.188 618 R HN 0.665 nan 8.270 nan 0.000 0.450 619 R N 3.892 124.355 120.500 -0.062 0.000 2.248 619 R HA 0.266 4.646 4.340 0.068 0.000 0.337 619 R C -0.825 175.473 176.300 -0.004 0.000 1.085 619 R CA -0.044 56.027 56.100 -0.048 0.000 0.934 619 R CB 0.178 30.440 30.300 -0.064 0.000 1.034 619 R HN 0.440 nan 8.270 nan 0.000 0.465 620 L N 5.608 126.852 121.223 0.035 0.000 2.313 620 L HA 0.295 4.675 4.340 0.068 0.000 0.283 620 L C -0.378 176.594 176.870 0.170 0.000 1.013 620 L CA -1.036 53.855 54.840 0.085 0.000 0.816 620 L CB 1.345 43.469 42.059 0.108 0.000 1.236 620 L HN 0.691 nan 8.230 nan 0.000 0.419 621 Y N 3.723 124.022 120.300 -0.002 0.000 3.589 621 Y HA -0.291 4.298 4.550 0.066 0.000 0.218 621 Y C 1.054 176.962 175.900 0.014 0.000 1.234 621 Y CA 0.956 59.064 58.100 0.012 0.000 1.576 621 Y CB -1.335 37.135 38.460 0.016 0.000 1.487 621 Y HN 0.926 nan 8.280 nan 0.000 0.616 622 G N -0.023 108.853 108.800 0.126 0.000 2.241 622 G HA2 -0.296 3.705 3.960 0.068 0.000 0.244 622 G HA3 -0.296 3.705 3.960 0.068 0.000 0.244 622 G C 0.256 175.123 174.900 -0.054 0.000 0.998 622 G CA 0.412 45.516 45.100 0.008 0.000 0.621 622 G HN 0.885 nan 8.290 nan 0.000 0.519 623 K N 0.530 120.912 120.400 -0.030 0.000 2.259 623 K HA 0.732 5.093 4.320 0.068 0.000 0.249 623 K C -0.714 175.855 176.600 -0.052 0.000 0.942 623 K CA -0.942 55.314 56.287 -0.051 0.000 0.816 623 K CB 2.509 34.975 32.500 -0.055 0.000 1.155 623 K HN 0.083 nan 8.250 nan 0.000 0.428 624 E N 1.845 121.998 120.200 -0.078 0.000 2.299 624 E HA 0.124 4.515 4.350 0.068 0.000 0.272 624 E C -1.196 175.317 176.600 -0.145 0.000 1.043 624 E CA -0.376 55.943 56.400 -0.136 0.000 0.895 624 E CB 0.849 30.450 29.700 -0.164 0.000 1.011 624 E HN 0.393 nan 8.360 nan 0.000 0.432 625 V N 5.678 125.476 119.914 -0.193 0.000 2.540 625 V HA 0.246 4.407 4.120 0.068 0.000 0.302 625 V C -0.922 174.931 176.094 -0.402 0.000 1.035 625 V CA -0.901 61.269 62.300 -0.216 0.000 0.873 625 V CB 0.935 32.645 31.823 -0.189 0.000 0.992 625 V HN 0.584 nan 8.190 nan 0.000 0.428 626 Y N 3.847 123.941 120.300 -0.342 0.000 2.319 626 Y HA 0.489 5.084 4.550 0.075 0.000 0.328 626 Y C 0.819 176.439 175.900 -0.467 0.000 1.133 626 Y CA 0.008 57.927 58.100 -0.301 0.000 1.265 626 Y CB 0.577 38.930 38.460 -0.178 0.000 1.218 626 Y HN 0.581 nan 8.280 nan 0.000 0.508 627 H N 2.404 121.529 119.070 0.091 0.000 2.690 627 H HA 0.457 5.050 4.556 0.063 0.000 0.368 627 H C -0.420 174.942 175.328 0.057 0.000 1.150 627 H CA -1.114 54.968 56.048 0.057 0.000 1.174 627 H CB 1.724 31.503 29.762 0.028 0.000 1.684 627 H HN 0.553 nan 8.280 nan 0.000 0.538 628 R N 1.612 122.188 120.500 0.127 0.000 2.615 628 R HA 0.215 4.596 4.340 0.068 0.000 0.270 628 R C -2.328 173.959 176.300 -0.022 0.000 1.081 628 R CA -1.578 54.548 56.100 0.044 0.000 1.154 628 R CB 0.113 30.407 30.300 -0.011 0.000 1.063 628 R HN 0.326 nan 8.270 nan 0.000 0.519 629 P HA -0.087 nan 4.420 nan 0.000 0.267 629 P C -0.433 176.670 177.300 -0.329 0.000 1.200 629 P CA 0.209 63.036 63.100 -0.455 0.000 0.772 629 P CB 0.619 31.893 31.700 -0.710 0.000 0.855 630 S N 2.342 117.842 115.700 -0.334 0.000 2.573 630 S HA -0.093 4.417 4.470 0.068 0.000 0.297 630 S C 1.719 176.084 174.600 -0.391 0.000 1.280 630 S CA -0.148 57.835 58.200 -0.362 0.000 1.061 630 S CB 0.097 63.105 63.200 -0.319 0.000 0.812 630 S HN 0.508 nan 8.310 nan 0.000 0.500 631 R N 3.530 123.734 120.500 -0.493 0.000 2.139 631 R HA -0.150 4.230 4.340 0.068 0.000 0.243 631 R C 1.227 177.361 176.300 -0.277 0.000 1.145 631 R CA 2.071 57.932 56.100 -0.398 0.000 0.976 631 R CB -0.753 29.305 30.300 -0.403 0.000 0.866 631 R HN 0.654 nan 8.270 nan 0.000 0.449 632 F N 1.627 121.463 119.950 -0.190 0.000 2.269 632 F HA -0.014 4.553 4.527 0.067 0.000 0.301 632 F C 2.188 177.918 175.800 -0.117 0.000 1.082 632 F CA 0.163 58.063 58.000 -0.166 0.000 1.360 632 F CB -0.528 38.327 39.000 -0.241 0.000 1.041 632 F HN -0.057 nan 8.300 nan 0.000 0.512 633 I N -0.113 120.459 120.570 0.004 0.000 2.179 633 I HA -0.194 4.016 4.170 0.068 0.000 0.242 633 I C 2.734 178.837 176.117 -0.023 0.000 1.088 633 I CA 1.639 62.924 61.300 -0.025 0.000 1.357 633 I CB -1.148 36.777 38.000 -0.126 0.000 1.051 633 I HN 0.179 nan 8.210 nan 0.000 0.409 634 G N -0.030 108.737 108.800 -0.055 0.000 2.534 634 G HA2 -0.158 3.843 3.960 0.068 0.000 0.217 634 G HA3 -0.158 3.843 3.960 0.068 0.000 0.217 634 G C 1.441 176.337 174.900 -0.008 0.000 1.128 634 G CA 0.224 45.302 45.100 -0.037 0.000 0.784 634 G HN 0.412 nan 8.290 nan 0.000 0.542 635 E N -0.325 119.884 120.200 0.014 0.000 2.347 635 E HA 0.081 4.472 4.350 0.068 0.000 0.196 635 E C 0.603 177.224 176.600 0.034 0.000 1.008 635 E CA -0.244 56.177 56.400 0.034 0.000 0.852 635 E CB -0.000 29.747 29.700 0.078 0.000 0.783 635 E HN 0.368 nan 8.360 nan 0.000 0.505 636 L N 2.206 123.449 121.223 0.034 0.000 2.439 636 L HA 0.168 4.548 4.340 0.068 0.000 0.269 636 L C -2.092 174.791 176.870 0.022 0.000 1.179 636 L CA -2.034 52.824 54.840 0.030 0.000 0.828 636 L CB -0.288 41.790 42.059 0.032 0.000 1.106 636 L HN -0.231 nan 8.230 nan 0.000 0.467 637 P HA 0.027 nan 4.420 nan 0.000 0.267 637 P C 0.279 177.590 177.300 0.018 0.000 1.205 637 P CA 0.001 63.112 63.100 0.018 0.000 0.765 637 P CB 0.585 32.296 31.700 0.019 0.000 0.828 638 E N 2.346 122.556 120.200 0.016 0.000 2.147 638 E HA -0.282 4.108 4.350 0.068 0.000 0.199 638 E C 1.560 178.172 176.600 0.020 0.000 1.005 638 E CA 1.423 57.834 56.400 0.018 0.000 0.810 638 E CB 0.024 29.733 29.700 0.015 0.000 0.736 638 E HN 0.660 nan 8.360 nan 0.000 0.460 639 E N -0.063 120.148 120.200 0.018 0.000 2.409 639 E HA -0.143 4.247 4.350 0.068 0.000 0.198 639 E C 1.610 178.222 176.600 0.021 0.000 1.024 639 E CA 0.878 57.289 56.400 0.019 0.000 0.861 639 E CB -0.075 29.635 29.700 0.016 0.000 0.788 639 E HN 0.267 nan 8.360 nan 0.000 0.521 640 C N 1.163 120.475 119.300 0.021 0.000 2.563 640 C HA 0.184 4.684 4.460 0.068 0.000 0.268 640 C C 1.111 176.116 174.990 0.025 0.000 1.365 640 C CA -0.143 58.887 59.018 0.021 0.000 1.754 640 C CB -0.498 27.253 27.740 0.019 0.000 1.932 640 C HN 0.401 nan 8.230 nan 0.000 0.536 641 V N -0.631 119.301 119.914 0.030 0.000 2.680 641 V HA 0.673 4.833 4.120 0.068 0.000 0.309 641 V C -0.831 175.291 176.094 0.046 0.000 1.052 641 V CA -0.388 61.936 62.300 0.040 0.000 0.908 641 V CB 1.958 33.807 31.823 0.043 0.000 1.001 641 V HN 0.205 nan 8.190 nan 0.000 0.431 642 E N 3.135 123.370 120.200 0.057 0.000 2.216 642 E HA 0.329 4.720 4.350 0.068 0.000 0.260 642 E C -0.833 175.818 176.600 0.085 0.000 0.880 642 E CA -0.430 56.009 56.400 0.064 0.000 0.765 642 E CB 2.095 31.832 29.700 0.063 0.000 1.174 642 E HN 1.015 nan 8.360 nan 0.000 0.417 643 E N 3.082 123.332 120.200 0.083 0.000 2.354 643 E HA 0.204 4.595 4.350 0.068 0.000 0.269 643 E C -0.751 175.920 176.600 0.118 0.000 1.036 643 E CA -0.557 55.903 56.400 0.099 0.000 0.876 643 E CB 1.099 30.845 29.700 0.077 0.000 1.009 643 E HN 0.254 nan 8.360 nan 0.000 0.416 644 V N 5.617 125.630 119.914 0.164 0.000 2.432 644 V HA 0.334 4.494 4.120 0.068 0.000 0.271 644 V C 0.212 176.426 176.094 0.199 0.000 1.046 644 V CA -0.005 62.418 62.300 0.204 0.000 0.945 644 V CB 0.758 32.760 31.823 0.298 0.000 0.992 644 V HN 0.699 nan 8.190 nan 0.000 0.471 645 R N 3.547 124.139 120.500 0.152 0.000 2.808 645 R HA 0.581 4.961 4.340 0.068 0.000 0.272 645 R C -1.536 174.831 176.300 0.112 0.000 0.995 645 R CA -1.185 54.986 56.100 0.119 0.000 0.917 645 R CB 1.617 31.962 30.300 0.075 0.000 1.217 645 R HN 0.393 nan 8.270 nan 0.000 0.471 646 L N 2.543 123.822 121.223 0.093 0.000 2.360 646 L HA 0.318 4.699 4.340 0.068 0.000 0.276 646 L C -0.077 176.826 176.870 0.054 0.000 1.121 646 L CA 0.786 55.672 54.840 0.076 0.000 0.845 646 L CB 0.158 42.254 42.059 0.060 0.000 1.143 646 L HN 0.557 nan 8.230 nan 0.000 0.452 647 R N 0.000 120.530 120.500 0.050 0.000 2.786 647 R HA 0.000 4.381 4.340 0.068 0.000 0.208 647 R CA 0.000 56.123 56.100 0.039 0.000 0.921 647 R CB 0.000 30.325 30.300 0.042 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535