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 1oe4_1_B DATA FIRST_RESID 36 DATA SEQUENCE ESPADSFLKV ELELNLKLSN LVFQDPVQYV YNPLVYAWAP HENYVQTYCK DATA SEQUENCE SKKEVLFLGM NPGPFGMAQT GVPFGEVNHV RDWLQIEGPV SKPEVEHPKR DATA SEQUENCE RIRGFECPQS EVSGARFWSL FKSLCGQPET FFKHCFVHNH CPLIFMNHSG DATA SEQUENCE KNLTPTDLPK AQRDTLLEIC DEALCQAVRV LGVKLVIGVG RFSEQRARKA DATA SEQUENCE LMAEGIDVTV KGIMHPSPRN PQANKGWEGI VRGQLLELGV LSLLT 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.582 176.600 -0.030 0.000 1.382 36 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 36 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 37 S N 2.323 118.002 115.700 -0.035 0.000 2.474 37 S HA 0.464 4.934 4.470 0.000 0.000 0.321 37 S C -2.062 172.506 174.600 -0.053 0.000 1.080 37 S CA -1.282 56.885 58.200 -0.055 0.000 1.106 37 S CB 1.437 64.602 63.200 -0.058 0.000 0.984 37 S HN 0.226 nan 8.310 nan 0.000 0.464 38 P HA 0.140 nan 4.420 nan 0.000 0.237 38 P C 1.384 178.658 177.300 -0.042 0.000 1.178 38 P CA 0.498 63.564 63.100 -0.056 0.000 0.766 38 P CB -0.084 31.560 31.700 -0.093 0.000 0.876 39 A N 1.138 123.904 122.820 -0.090 0.000 1.884 39 A HA -0.291 4.029 4.320 0.000 0.000 0.219 39 A C 2.209 179.822 177.584 0.048 0.000 1.197 39 A CA 2.491 54.483 52.037 -0.073 0.000 0.637 39 A CB -1.727 17.205 19.000 -0.113 0.000 0.827 39 A HN 0.223 nan 8.150 nan 0.000 0.450 40 D N -1.029 119.395 120.400 0.039 0.000 2.117 40 D HA -0.093 4.547 4.640 0.000 0.000 0.197 40 D C 2.101 178.461 176.300 0.101 0.000 0.987 40 D CA 1.590 55.635 54.000 0.075 0.000 0.829 40 D CB 0.052 40.880 40.800 0.046 0.000 0.961 40 D HN 0.401 nan 8.370 nan 0.000 0.460 41 S N -0.779 114.971 115.700 0.083 0.000 2.387 41 S HA -0.082 4.388 4.470 0.000 0.000 0.226 41 S C 1.608 176.272 174.600 0.107 0.000 1.026 41 S CA 0.295 58.541 58.200 0.078 0.000 0.972 41 S CB -0.469 62.764 63.200 0.056 0.000 0.814 41 S HN 0.367 nan 8.310 nan 0.000 0.477 42 F N 2.449 122.396 119.950 -0.005 0.000 2.095 42 F HA -0.082 4.445 4.527 0.000 0.000 0.298 42 F C 1.809 177.674 175.800 0.109 0.000 1.104 42 F CA 1.269 59.272 58.000 0.005 0.000 1.232 42 F CB -0.316 38.633 39.000 -0.085 0.000 0.987 42 F HN 0.075 nan 8.300 nan 0.000 0.475 43 L N 0.018 121.423 121.223 0.303 0.000 2.131 43 L HA -0.237 4.103 4.340 0.000 0.000 0.210 43 L C 2.343 179.366 176.870 0.254 0.000 1.092 43 L CA 1.468 56.528 54.840 0.367 0.000 0.759 43 L CB -0.619 41.689 42.059 0.415 0.000 0.903 43 L HN 0.083 nan 8.230 nan 0.000 0.435 44 K N -0.558 119.923 120.400 0.135 0.000 2.103 44 K HA -0.098 4.222 4.320 0.000 0.000 0.204 44 K C 2.074 178.681 176.600 0.010 0.000 1.052 44 K CA 0.924 57.252 56.287 0.067 0.000 0.945 44 K CB -0.146 32.383 32.500 0.049 0.000 0.722 44 K HN 0.056 nan 8.250 nan 0.000 0.443 45 V N 2.093 121.980 119.914 -0.044 0.000 2.282 45 V HA -0.285 3.835 4.120 0.000 0.000 0.249 45 V C 2.013 178.060 176.094 -0.079 0.000 1.057 45 V CA 1.879 64.121 62.300 -0.097 0.000 1.032 45 V CB -0.391 31.305 31.823 -0.213 0.000 0.645 45 V HN 0.356 nan 8.190 nan 0.000 0.447 46 E N -0.298 119.859 120.200 -0.072 0.000 2.106 46 E HA -0.145 4.205 4.350 0.000 0.000 0.192 46 E C 2.234 178.862 176.600 0.047 0.000 0.984 46 E CA 1.052 57.470 56.400 0.030 0.000 0.806 46 E CB -0.162 29.648 29.700 0.182 0.000 0.750 46 E HN 0.513 nan 8.360 nan 0.000 0.458 47 L N 0.682 121.921 121.223 0.026 0.000 2.093 47 L HA -0.169 4.171 4.340 0.000 0.000 0.208 47 L C 2.364 179.193 176.870 -0.069 0.000 1.085 47 L CA 0.967 55.749 54.840 -0.096 0.000 0.755 47 L CB -0.113 41.854 42.059 -0.153 0.000 0.904 47 L HN 0.040 nan 8.230 nan 0.000 0.435 48 E N 0.013 120.191 120.200 -0.036 0.000 2.107 48 E HA -0.191 4.159 4.350 0.000 0.000 0.191 48 E C 1.927 178.515 176.600 -0.019 0.000 0.982 48 E CA 0.588 56.971 56.400 -0.028 0.000 0.809 48 E CB -0.088 29.600 29.700 -0.019 0.000 0.756 48 E HN 0.188 nan 8.360 nan 0.000 0.459 49 L N 1.063 122.278 121.223 -0.013 0.000 2.012 49 L HA -0.199 4.141 4.340 0.000 0.000 0.210 49 L C 1.490 178.360 176.870 0.000 0.000 1.073 49 L CA 1.792 56.631 54.840 -0.001 0.000 0.748 49 L CB -0.685 41.378 42.059 0.006 0.000 0.891 49 L HN 0.109 nan 8.230 nan 0.000 0.431 50 N N -0.498 118.194 118.700 -0.012 0.000 2.149 50 N HA -0.203 4.537 4.740 0.000 0.000 0.188 50 N C 1.854 177.354 175.510 -0.016 0.000 1.019 50 N CA 1.539 54.578 53.050 -0.018 0.000 0.857 50 N CB -0.439 38.013 38.487 -0.059 0.000 0.997 50 N HN 0.330 nan 8.380 nan 0.000 0.426 51 L N 1.245 122.451 121.223 -0.028 0.000 2.017 51 L HA -0.139 4.201 4.340 0.000 0.000 0.208 51 L C 1.990 178.856 176.870 -0.006 0.000 1.073 51 L CA 1.610 56.436 54.840 -0.023 0.000 0.745 51 L CB -0.137 41.904 42.059 -0.030 0.000 0.894 51 L HN 0.054 nan 8.230 nan 0.000 0.432 52 K N -0.849 119.551 120.400 -0.000 0.000 2.097 52 K HA -0.110 4.210 4.320 0.000 0.000 0.205 52 K C 1.974 178.586 176.600 0.021 0.000 1.050 52 K CA 1.243 57.535 56.287 0.007 0.000 0.938 52 K CB -0.205 32.300 32.500 0.009 0.000 0.718 52 K HN 0.250 nan 8.250 nan 0.000 0.442 53 L N 1.021 122.269 121.223 0.042 0.000 2.201 53 L HA -0.137 4.203 4.340 0.000 0.000 0.212 53 L C 2.356 179.280 176.870 0.090 0.000 1.105 53 L CA 1.054 55.947 54.840 0.088 0.000 0.775 53 L CB -0.524 41.600 42.059 0.110 0.000 0.913 53 L HN 0.235 nan 8.230 nan 0.000 0.440 54 S N -0.852 114.880 115.700 0.053 0.000 2.474 54 S HA -0.079 4.391 4.470 0.000 0.000 0.235 54 S C 1.488 176.107 174.600 0.032 0.000 0.997 54 S CA 0.839 59.069 58.200 0.050 0.000 0.949 54 S CB -0.315 62.900 63.200 0.024 0.000 0.766 54 S HN 0.450 nan 8.310 nan 0.000 0.517 55 N N 0.925 119.630 118.700 0.008 0.000 2.280 55 N HA 0.318 5.058 4.740 0.000 0.000 0.192 55 N C -0.065 175.410 175.510 -0.058 0.000 1.109 55 N CA 0.040 53.080 53.050 -0.017 0.000 0.855 55 N CB 0.050 38.526 38.487 -0.019 0.000 0.974 55 N HN 0.445 nan 8.380 nan 0.000 0.482 56 L N 1.147 122.318 121.223 -0.085 0.000 2.417 56 L HA 0.242 4.582 4.340 0.000 0.000 0.268 56 L C -0.019 176.662 176.870 -0.316 0.000 1.158 56 L CA -0.288 54.398 54.840 -0.256 0.000 0.819 56 L CB 1.092 42.917 42.059 -0.390 0.000 1.112 56 L HN -0.259 nan 8.230 nan 0.000 0.458 57 V N 3.155 122.832 119.914 -0.395 0.000 2.407 57 V HA 0.365 4.485 4.120 0.000 0.000 0.291 57 V C -0.370 175.516 176.094 -0.348 0.000 1.018 57 V CA -0.475 61.675 62.300 -0.250 0.000 0.842 57 V CB 1.293 33.047 31.823 -0.114 0.000 0.996 57 V HN 0.354 nan 8.190 nan 0.000 0.426 58 F N 3.088 123.060 119.950 0.036 0.000 2.397 58 F HA 0.702 5.229 4.527 0.000 0.000 0.331 58 F C 0.549 176.347 175.800 -0.003 0.000 1.090 58 F CA -0.279 57.732 58.000 0.018 0.000 1.065 58 F CB 1.487 40.526 39.000 0.065 0.000 1.184 58 F HN 0.420 nan 8.300 nan 0.000 0.499 59 Q N 0.223 120.118 119.800 0.158 0.000 2.668 59 Q HA 0.432 4.772 4.340 0.000 0.000 0.298 59 Q C -0.644 175.388 176.000 0.054 0.000 1.071 59 Q CA -0.546 55.301 55.803 0.073 0.000 0.789 59 Q CB 2.174 30.929 28.738 0.029 0.000 1.497 59 Q HN 0.681 nan 8.270 nan 0.000 0.460 60 D N -1.546 118.870 120.400 0.026 0.000 4.343 60 D HA -0.174 4.466 4.640 0.000 0.000 0.169 60 D C -1.621 174.688 176.300 0.015 0.000 0.858 60 D CA 1.666 55.674 54.000 0.013 0.000 2.030 60 D CB -1.747 39.058 40.800 0.008 0.000 1.110 60 D HN 0.589 nan 8.370 nan 0.000 0.462 61 P HA 0.271 nan 4.420 nan 0.000 0.232 61 P C 0.204 177.523 177.300 0.033 0.000 1.170 61 P CA 0.300 63.418 63.100 0.030 0.000 0.824 61 P CB 0.220 31.928 31.700 0.012 0.000 0.896 62 V N 2.778 122.700 119.914 0.013 0.000 2.493 62 V HA -0.011 4.109 4.120 0.000 0.000 0.292 62 V C 1.365 177.472 176.094 0.022 0.000 1.016 62 V CA 0.819 63.133 62.300 0.023 0.000 1.097 62 V CB 0.560 32.393 31.823 0.016 0.000 0.947 62 V HN 0.167 nan 8.190 nan 0.000 0.479 63 Q N 3.470 123.263 119.800 -0.011 0.000 2.179 63 Q HA 0.257 4.597 4.340 0.000 0.000 0.244 63 Q C -0.832 174.819 176.000 -0.581 0.000 0.808 63 Q CA 0.406 56.070 55.803 -0.231 0.000 0.955 63 Q CB 1.380 29.988 28.738 -0.216 0.000 1.141 63 Q HN 0.809 nan 8.270 nan 0.000 0.485 64 Y N -0.476 119.838 120.300 0.024 0.000 2.504 64 Y HA 0.551 5.101 4.550 0.000 0.000 0.344 64 Y C -0.443 175.391 175.900 -0.110 0.000 1.023 64 Y CA -1.125 56.966 58.100 -0.014 0.000 1.020 64 Y CB 2.155 40.570 38.460 -0.074 0.000 1.282 64 Y HN -0.388 nan 8.280 nan 0.000 0.454 65 V N 3.434 123.397 119.914 0.081 0.000 2.569 65 V HA 0.429 4.549 4.120 0.000 0.000 0.301 65 V C -1.353 174.825 176.094 0.141 0.000 1.044 65 V CA -1.112 61.138 62.300 -0.084 0.000 0.874 65 V CB 1.183 32.979 31.823 -0.044 0.000 1.002 65 V HN 0.515 nan 8.190 nan 0.000 0.424 66 Y N 2.451 122.679 120.300 -0.120 0.000 2.446 66 Y HA 0.607 5.157 4.550 -0.000 0.000 0.338 66 Y C 0.321 176.207 175.900 -0.023 0.000 1.055 66 Y CA -2.155 55.958 58.100 0.022 0.000 1.101 66 Y CB 1.702 40.217 38.460 0.090 0.000 1.221 66 Y HN 0.646 nan 8.280 nan 0.000 0.460 67 N N 4.356 123.217 118.700 0.269 0.000 2.623 67 N HA 0.293 5.033 4.740 0.000 0.000 0.256 67 N C -2.376 173.030 175.510 -0.173 0.000 1.045 67 N CA -2.443 50.631 53.050 0.039 0.000 0.863 67 N CB 1.764 40.265 38.487 0.024 0.000 1.182 67 N HN 0.174 nan 8.380 nan 0.000 0.523 68 P HA -0.071 nan 4.420 nan 0.000 0.225 68 P C 1.159 178.144 177.300 -0.525 0.000 1.148 68 P CA 0.653 63.149 63.100 -1.006 0.000 0.779 68 P CB 0.565 31.968 31.700 -0.495 0.000 0.780 69 L N -1.269 119.808 121.223 -0.244 0.000 2.551 69 L HA -0.036 4.304 4.340 0.000 0.000 0.228 69 L C 2.274 179.211 176.870 0.112 0.000 1.153 69 L CA 0.515 55.346 54.840 -0.014 0.000 0.851 69 L CB -0.425 41.629 42.059 -0.009 0.000 0.959 69 L HN -0.109 nan 8.230 nan 0.000 0.451 70 V N -0.723 119.169 119.914 -0.037 0.000 2.326 70 V HA -0.237 3.883 4.120 0.000 0.000 0.237 70 V C 2.079 178.220 176.094 0.079 0.000 1.044 70 V CA 1.371 63.685 62.300 0.022 0.000 1.035 70 V CB -0.742 31.113 31.823 0.053 0.000 0.675 70 V HN 0.421 nan 8.190 nan 0.000 0.470 71 Y N 1.019 121.369 120.300 0.084 0.000 2.516 71 Y HA 0.486 5.036 4.550 -0.000 0.000 0.291 71 Y C 1.558 177.524 175.900 0.110 0.000 1.131 71 Y CA 0.739 58.881 58.100 0.070 0.000 1.281 71 Y CB -0.524 37.936 38.460 0.000 0.000 1.013 71 Y HN 0.102 nan 8.280 nan 0.000 0.554 72 A N 0.625 123.332 122.820 -0.188 0.000 2.701 72 A HA 0.139 4.459 4.320 0.000 0.000 0.297 72 A C 1.302 178.948 177.584 0.103 0.000 1.197 72 A CA -0.544 51.489 52.037 -0.006 0.000 0.963 72 A CB -1.351 17.575 19.000 -0.125 0.000 1.175 72 A HN 0.770 nan 8.150 nan 0.000 0.531 73 W N 0.734 122.034 121.300 -0.001 0.000 2.338 73 W HA -0.293 4.367 4.660 0.001 0.000 0.304 73 W C 1.728 178.336 176.519 0.149 0.000 1.212 73 W CA 2.067 59.458 57.345 0.077 0.000 1.264 73 W CB -0.266 29.226 29.460 0.054 0.000 1.142 73 W HN 0.501 nan 8.180 nan 0.000 0.512 74 A N 1.767 124.664 122.820 0.129 0.000 1.865 74 A HA -0.225 4.095 4.320 0.000 0.000 0.217 74 A C -0.018 177.550 177.584 -0.028 0.000 1.191 74 A CA 2.337 54.394 52.037 0.033 0.000 0.623 74 A CB -2.321 16.747 19.000 0.114 0.000 0.826 74 A HN 0.274 nan 8.150 nan 0.000 0.444 75 P HA -0.181 nan 4.420 nan 0.000 0.217 75 P C 1.255 178.588 177.300 0.055 0.000 1.150 75 P CA 1.849 65.010 63.100 0.102 0.000 0.832 75 P CB -0.305 31.570 31.700 0.292 0.000 0.787 76 H N 0.841 119.864 119.070 -0.080 0.000 2.319 76 H HA -0.159 4.397 4.556 0.000 0.000 0.299 76 H C 2.255 177.466 175.328 -0.194 0.000 1.092 76 H CA 2.391 58.383 56.048 -0.094 0.000 1.302 76 H CB -0.385 29.274 29.762 -0.171 0.000 1.373 76 H HN 0.133 nan 8.280 nan 0.000 0.497 77 E N -0.439 119.450 120.200 -0.518 0.000 2.110 77 E HA -0.243 4.107 4.350 0.000 0.000 0.193 77 E C 2.160 178.601 176.600 -0.266 0.000 0.988 77 E CA 1.342 57.426 56.400 -0.527 0.000 0.804 77 E CB -0.194 29.146 29.700 -0.600 0.000 0.745 77 E HN 0.437 nan 8.360 nan 0.000 0.458 78 N N -0.248 118.344 118.700 -0.180 0.000 2.120 78 N HA -0.245 4.496 4.740 0.000 0.000 0.188 78 N C 1.709 177.145 175.510 -0.122 0.000 1.024 78 N CA 1.610 54.583 53.050 -0.130 0.000 0.852 78 N CB -0.503 37.935 38.487 -0.081 0.000 1.003 78 N HN 0.410 nan 8.380 nan 0.000 0.424 79 Y N 0.651 120.841 120.300 -0.185 0.000 2.145 79 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 79 Y C 2.101 177.932 175.900 -0.115 0.000 1.145 79 Y CA 1.694 59.724 58.100 -0.117 0.000 1.148 79 Y CB -0.590 37.805 38.460 -0.108 0.000 0.981 79 Y HN -0.056 nan 8.280 nan 0.000 0.507 80 V N 0.980 120.669 119.914 -0.375 0.000 2.358 80 V HA -0.276 3.844 4.120 0.000 0.000 0.246 80 V C 2.399 178.307 176.094 -0.311 0.000 1.047 80 V CA 2.128 64.215 62.300 -0.356 0.000 1.035 80 V CB -0.725 31.000 31.823 -0.162 0.000 0.658 80 V HN 0.429 nan 8.190 nan 0.000 0.452 81 Q N -0.187 119.460 119.800 -0.255 0.000 2.167 81 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 81 Q C 2.345 178.164 176.000 -0.303 0.000 0.970 81 Q CA 1.961 57.630 55.803 -0.223 0.000 0.855 81 Q CB -0.602 28.036 28.738 -0.166 0.000 0.911 81 Q HN 0.639 nan 8.270 nan 0.000 0.438 82 T N -0.183 114.114 114.554 -0.429 0.000 2.857 82 T HA -0.077 4.273 4.350 0.000 0.000 0.266 82 T C 0.847 175.071 174.700 -0.793 0.000 1.048 82 T CA 1.056 62.750 62.100 -0.676 0.000 1.139 82 T CB -0.098 68.201 68.868 -0.948 0.000 0.874 82 T HN 0.246 nan 8.240 nan 0.000 0.455 83 Y N -0.938 119.088 120.300 -0.456 0.000 2.500 83 Y HA 0.407 4.957 4.550 0.000 0.000 0.246 83 Y C 1.259 176.964 175.900 -0.325 0.000 1.146 83 Y CA -1.383 56.383 58.100 -0.557 0.000 1.230 83 Y CB 0.324 37.986 38.460 -1.330 0.000 1.214 83 Y HN 0.175 nan 8.280 nan 0.000 0.526 84 C N 1.166 120.305 119.300 -0.269 0.000 2.667 84 C HA 0.311 4.771 4.460 0.000 0.000 0.261 84 C C 1.303 176.122 174.990 -0.286 0.000 1.590 84 C CA -0.362 58.397 59.018 -0.432 0.000 1.668 84 C CB -1.596 25.648 27.740 -0.826 0.000 2.962 84 C HN 0.405 nan 8.230 nan 0.000 0.525 85 K N 0.986 121.273 120.400 -0.188 0.000 2.418 85 K HA 0.082 4.402 4.320 0.000 0.000 0.195 85 K C 0.752 177.290 176.600 -0.104 0.000 1.035 85 K CA 0.543 56.747 56.287 -0.139 0.000 1.003 85 K CB 0.210 32.637 32.500 -0.122 0.000 0.793 85 K HN 0.633 nan 8.250 nan 0.000 0.494 86 S N -0.427 115.212 115.700 -0.103 0.000 2.607 86 S HA 0.373 4.843 4.470 0.000 0.000 0.273 86 S C -1.026 173.533 174.600 -0.069 0.000 1.148 86 S CA -1.257 56.902 58.200 -0.067 0.000 0.833 86 S CB 1.672 64.849 63.200 -0.038 0.000 1.130 86 S HN -0.216 nan 8.310 nan 0.000 0.470 87 K N 1.506 121.885 120.400 -0.036 0.000 2.414 87 K HA 0.369 4.689 4.320 0.000 0.000 0.272 87 K C -0.262 176.343 176.600 0.008 0.000 0.993 87 K CA -0.066 56.206 56.287 -0.025 0.000 0.964 87 K CB 0.211 32.708 32.500 -0.004 0.000 0.925 87 K HN 0.541 nan 8.250 nan 0.000 0.487 88 K N 2.141 122.545 120.400 0.007 0.000 2.267 88 K HA 0.214 4.534 4.320 0.000 0.000 0.246 88 K C 0.851 177.479 176.600 0.047 0.000 0.954 88 K CA -0.709 55.606 56.287 0.047 0.000 0.824 88 K CB 1.446 33.970 32.500 0.040 0.000 1.167 88 K HN 0.344 nan 8.250 nan 0.000 0.431 89 E N 0.327 120.560 120.200 0.056 0.000 2.140 89 E HA 0.051 4.401 4.350 0.000 0.000 0.191 89 E C 0.287 176.875 176.600 -0.019 0.000 0.973 89 E CA 0.586 56.984 56.400 -0.002 0.000 0.829 89 E CB 0.404 30.069 29.700 -0.059 0.000 0.781 89 E HN 0.201 nan 8.360 nan 0.000 0.466 90 V N 1.926 121.827 119.914 -0.021 0.000 2.638 90 V HA 0.278 4.398 4.120 0.000 0.000 0.306 90 V C -0.950 175.117 176.094 -0.045 0.000 1.052 90 V CA -0.942 61.301 62.300 -0.094 0.000 0.885 90 V CB 2.299 34.002 31.823 -0.199 0.000 0.999 90 V HN 0.033 nan 8.190 nan 0.000 0.424 91 L N 5.244 126.446 121.223 -0.035 0.000 2.305 91 L HA 0.671 5.011 4.340 0.000 0.000 0.284 91 L C -0.946 175.942 176.870 0.030 0.000 1.013 91 L CA 0.068 54.986 54.840 0.130 0.000 0.819 91 L CB 0.941 43.135 42.059 0.225 0.000 1.227 91 L HN 0.455 nan 8.230 nan 0.000 0.417 92 F N 5.819 125.938 119.950 0.282 0.000 2.420 92 F HA 0.470 4.997 4.527 -0.000 0.000 0.352 92 F C -0.091 175.916 175.800 0.344 0.000 1.108 92 F CA -0.195 57.997 58.000 0.319 0.000 1.162 92 F CB 1.221 40.467 39.000 0.409 0.000 1.118 92 F HN 0.331 nan 8.300 nan 0.000 0.510 93 L N 3.648 125.149 121.223 0.464 0.000 2.343 93 L HA 0.745 5.085 4.340 0.000 0.000 0.278 93 L C -0.048 177.041 176.870 0.366 0.000 0.996 93 L CA -0.046 55.025 54.840 0.386 0.000 0.831 93 L CB 1.212 43.462 42.059 0.318 0.000 1.232 93 L HN 0.620 nan 8.230 nan 0.000 0.413 94 G N 3.302 112.276 108.800 0.291 0.000 2.531 94 G HA2 0.342 4.302 3.960 0.000 0.000 0.313 94 G HA3 0.342 4.302 3.960 0.000 0.000 0.313 94 G C 0.320 175.316 174.900 0.159 0.000 1.238 94 G CA -0.370 44.858 45.100 0.212 0.000 0.994 94 G HN 0.730 nan 8.290 nan 0.000 0.493 95 M N -0.142 119.543 119.600 0.142 0.000 2.102 95 M HA 0.116 4.596 4.480 0.000 0.000 0.259 95 M C 0.499 176.824 176.300 0.042 0.000 1.083 95 M CA 1.133 56.524 55.300 0.152 0.000 1.141 95 M CB 0.046 32.647 32.600 0.002 0.000 1.318 95 M HN 0.740 nan 8.290 nan 0.000 0.421 96 N N -0.969 117.679 118.700 -0.087 0.000 3.046 96 N HA 0.378 5.119 4.740 0.000 0.000 0.243 96 N C -3.204 172.182 175.510 -0.206 0.000 1.452 96 N CA -1.418 51.555 53.050 -0.128 0.000 0.882 96 N CB 0.173 38.607 38.487 -0.089 0.000 1.425 96 N HN -0.115 nan 8.380 nan 0.000 0.517 97 P HA 0.239 nan 4.420 nan 0.000 0.269 97 P C 0.197 177.374 177.300 -0.205 0.000 1.209 97 P CA 0.195 63.166 63.100 -0.215 0.000 0.776 97 P CB 0.284 31.886 31.700 -0.163 0.000 0.876 98 G N 2.895 111.574 108.800 -0.202 0.000 2.476 98 G HA2 0.322 4.282 3.960 0.000 0.000 0.286 98 G HA3 0.322 4.282 3.960 0.000 0.000 0.286 98 G C -1.679 173.083 174.900 -0.229 0.000 1.177 98 G CA -1.310 43.672 45.100 -0.196 0.000 0.870 98 G HN 0.281 nan 8.290 nan 0.000 0.528 99 P HA -0.058 nan 4.420 nan 0.000 0.220 99 P C 0.616 177.630 177.300 -0.478 0.000 1.148 99 P CA 1.118 63.897 63.100 -0.534 0.000 0.803 99 P CB 0.125 31.266 31.700 -0.933 0.000 0.782 100 F N -1.303 118.637 119.950 -0.017 0.000 2.678 100 F HA 0.399 4.926 4.527 -0.000 0.000 0.305 100 F C 2.044 177.828 175.800 -0.027 0.000 1.090 100 F CA -0.265 57.725 58.000 -0.017 0.000 1.272 100 F CB -0.673 38.319 39.000 -0.014 0.000 1.060 100 F HN -0.088 nan 8.300 nan 0.000 0.576 101 G N -0.107 108.734 108.800 0.069 0.000 2.992 101 G HA2 0.058 4.018 3.960 0.000 0.000 0.201 101 G HA3 0.058 4.018 3.960 0.000 0.000 0.201 101 G C 1.313 176.197 174.900 -0.026 0.000 2.057 101 G CA 0.088 45.208 45.100 0.033 0.000 0.800 101 G HN 0.115 nan 8.290 nan 0.000 0.700 102 M N 0.892 120.455 119.600 -0.061 0.000 2.267 102 M HA 0.015 4.495 4.480 0.000 0.000 0.263 102 M C 2.469 178.734 176.300 -0.058 0.000 1.063 102 M CA 1.813 57.066 55.300 -0.078 0.000 1.090 102 M CB -0.084 32.444 32.600 -0.120 0.000 1.392 102 M HN 0.344 nan 8.290 nan 0.000 0.422 103 A N -0.134 122.672 122.820 -0.023 0.000 2.019 103 A HA -0.172 4.148 4.320 0.000 0.000 0.219 103 A C 1.957 179.642 177.584 0.168 0.000 1.164 103 A CA 1.445 53.537 52.037 0.091 0.000 0.644 103 A CB -0.388 18.670 19.000 0.097 0.000 0.805 103 A HN 0.651 nan 8.150 nan 0.000 0.449 104 Q N -1.266 118.570 119.800 0.059 0.000 2.324 104 Q HA -0.022 4.318 4.340 0.000 0.000 0.207 104 Q C 1.938 177.872 176.000 -0.110 0.000 0.928 104 Q CA 1.793 57.608 55.803 0.021 0.000 0.890 104 Q CB -0.339 28.381 28.738 -0.029 0.000 1.001 104 Q HN 0.808 nan 8.270 nan 0.000 0.517 105 T N -4.009 110.427 114.554 -0.198 0.000 3.001 105 T HA 0.335 4.685 4.350 0.000 0.000 0.251 105 T C 1.376 176.033 174.700 -0.071 0.000 1.040 105 T CA 0.692 62.584 62.100 -0.346 0.000 0.985 105 T CB 0.624 69.216 68.868 -0.460 0.000 1.011 105 T HN 0.353 nan 8.240 nan 0.000 0.509 106 G N 0.994 109.764 108.800 -0.051 0.000 2.168 106 G HA2 -0.228 3.732 3.960 0.000 0.000 0.263 106 G HA3 -0.228 3.732 3.960 0.000 0.000 0.263 106 G C 0.043 174.996 174.900 0.090 0.000 0.977 106 G CA 0.257 45.359 45.100 0.005 0.000 0.659 106 G HN 0.764 nan 8.290 nan 0.000 0.533 107 V N 1.413 121.313 119.914 -0.025 0.000 2.513 107 V HA 0.523 4.643 4.120 0.000 0.000 0.299 107 V C -1.928 174.103 176.094 -0.105 0.000 1.035 107 V CA -1.932 60.263 62.300 -0.176 0.000 0.889 107 V CB 2.087 33.756 31.823 -0.257 0.000 0.988 107 V HN 0.044 nan 8.190 nan 0.000 0.440 108 P HA 0.188 nan 4.420 nan 0.000 0.265 108 P C -0.085 177.287 177.300 0.121 0.000 1.193 108 P CA 0.189 63.258 63.100 -0.052 0.000 0.765 108 P CB -0.042 31.683 31.700 0.042 0.000 0.823 109 F N 0.599 120.487 119.950 -0.103 0.000 3.100 109 F HA -0.180 4.347 4.527 0.000 0.000 0.283 109 F C 1.358 177.270 175.800 0.187 0.000 0.900 109 F CA 1.222 59.141 58.000 -0.134 0.000 1.010 109 F CB -2.245 36.361 39.000 -0.658 0.000 1.029 109 F HN 0.461 nan 8.300 nan 0.000 0.637 110 G N 1.183 110.110 108.800 0.211 0.000 3.401 110 G HA2 0.137 4.097 3.960 0.000 0.000 0.251 110 G HA3 0.137 4.097 3.960 0.000 0.000 0.251 110 G C 0.335 175.306 174.900 0.119 0.000 0.960 110 G CA -0.282 44.920 45.100 0.171 0.000 1.900 110 G HN 0.392 nan 8.290 nan 0.000 0.645 111 E N 0.741 121.074 120.200 0.222 0.000 2.465 111 E HA -0.035 4.315 4.350 0.000 0.000 0.260 111 E C 1.277 177.966 176.600 0.148 0.000 0.980 111 E CA -0.224 56.286 56.400 0.183 0.000 0.927 111 E CB 1.084 30.928 29.700 0.239 0.000 0.934 111 E HN 0.084 nan 8.360 nan 0.000 0.459 112 V N 5.421 125.380 119.914 0.075 0.000 2.255 112 V HA -0.341 3.779 4.120 0.000 0.000 0.247 112 V C 2.035 178.212 176.094 0.138 0.000 1.051 112 V CA 2.098 64.420 62.300 0.036 0.000 1.018 112 V CB -0.583 31.243 31.823 0.004 0.000 0.641 112 V HN 0.637 nan 8.190 nan 0.000 0.445 113 N N -0.304 118.474 118.700 0.130 0.000 2.069 113 N HA -0.187 4.554 4.740 0.000 0.000 0.191 113 N C 1.779 177.318 175.510 0.049 0.000 1.031 113 N CA 1.923 55.016 53.050 0.073 0.000 0.852 113 N CB -0.493 37.994 38.487 0.001 0.000 1.018 113 N HN 0.634 nan 8.380 nan 0.000 0.423 114 H N -0.145 118.995 119.070 0.117 0.000 2.395 114 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 114 H C 2.079 177.463 175.328 0.093 0.000 1.070 114 H CA 0.761 56.889 56.048 0.133 0.000 1.356 114 H CB -0.019 29.839 29.762 0.160 0.000 1.401 114 H HN -0.052 nan 8.280 nan 0.000 0.524 115 V N 0.483 120.496 119.914 0.164 0.000 2.358 115 V HA -0.222 3.898 4.120 0.000 0.000 0.246 115 V C 2.493 178.704 176.094 0.195 0.000 1.047 115 V CA 1.995 64.364 62.300 0.114 0.000 1.035 115 V CB -0.364 31.545 31.823 0.144 0.000 0.658 115 V HN 0.355 nan 8.190 nan 0.000 0.452 116 R N -0.022 120.627 120.500 0.250 0.000 2.057 116 R HA -0.143 4.197 4.340 0.000 0.000 0.229 116 R C 1.914 178.268 176.300 0.089 0.000 1.136 116 R CA 1.991 58.194 56.100 0.170 0.000 0.952 116 R CB -0.203 30.216 30.300 0.198 0.000 0.848 116 R HN 0.476 nan 8.270 nan 0.000 0.430 117 D N -1.382 119.076 120.400 0.098 0.000 2.240 117 D HA -0.084 4.556 4.640 0.000 0.000 0.206 117 D C 1.279 177.673 176.300 0.158 0.000 0.963 117 D CA 0.658 54.709 54.000 0.085 0.000 0.863 117 D CB -0.076 40.751 40.800 0.044 0.000 0.973 117 D HN 0.304 nan 8.370 nan 0.000 0.501 118 W N 0.846 122.134 121.300 -0.020 0.000 2.780 118 W HA 0.224 4.884 4.660 0.000 0.000 0.272 118 W C 1.753 178.280 176.519 0.015 0.000 1.116 118 W CA 0.305 57.651 57.345 0.002 0.000 1.600 118 W CB -0.296 29.179 29.460 0.025 0.000 1.086 118 W HN -0.227 nan 8.180 nan 0.000 0.584 119 L N 0.953 122.144 121.223 -0.053 0.000 2.313 119 L HA -0.039 4.301 4.340 0.000 0.000 0.214 119 L C 0.744 177.624 176.870 0.016 0.000 1.119 119 L CA 0.933 55.678 54.840 -0.159 0.000 0.809 119 L CB -0.829 41.136 42.059 -0.157 0.000 0.933 119 L HN 0.082 nan 8.230 nan 0.000 0.449 120 Q N 0.722 120.528 119.800 0.011 0.000 2.451 120 Q HA -0.204 4.136 4.340 0.000 0.000 0.305 120 Q C -0.541 175.454 176.000 -0.009 0.000 1.345 120 Q CA 0.473 56.273 55.803 -0.004 0.000 0.854 120 Q CB -1.365 27.353 28.738 -0.032 0.000 1.162 120 Q HN 0.329 nan 8.270 nan 0.000 0.440 121 I N 1.652 122.240 120.570 0.030 0.000 2.354 121 I HA 0.277 4.448 4.170 0.000 0.000 0.292 121 I C 0.864 176.921 176.117 -0.099 0.000 0.989 121 I CA 0.035 61.349 61.300 0.022 0.000 1.188 121 I CB 1.418 39.500 38.000 0.137 0.000 1.342 121 I HN 0.289 nan 8.210 nan 0.000 0.457 122 E N 5.047 125.124 120.200 -0.205 0.000 2.423 122 E HA 0.905 5.255 4.350 0.000 0.000 0.269 122 E C -0.672 175.799 176.600 -0.215 0.000 0.948 122 E CA -1.106 55.022 56.400 -0.452 0.000 0.802 122 E CB 3.054 32.491 29.700 -0.439 0.000 1.339 122 E HN 0.635 nan 8.360 nan 0.000 0.445 123 G N 0.784 109.456 108.800 -0.213 0.000 2.376 123 G HA2 0.278 4.238 3.960 0.000 0.000 0.302 123 G HA3 0.278 4.238 3.960 0.000 0.000 0.302 123 G C -3.111 171.821 174.900 0.053 0.000 1.586 123 G CA -0.936 44.148 45.100 -0.027 0.000 0.907 123 G HN 0.445 nan 8.290 nan 0.000 0.655 124 P HA 0.452 nan 4.420 nan 0.000 0.268 124 P C -0.458 176.946 177.300 0.173 0.000 1.205 124 P CA -0.185 62.981 63.100 0.111 0.000 0.771 124 P CB 1.567 33.318 31.700 0.085 0.000 0.858 125 V N 2.433 122.464 119.914 0.195 0.000 2.531 125 V HA 0.316 4.436 4.120 0.000 0.000 0.301 125 V C 0.900 177.099 176.094 0.175 0.000 1.034 125 V CA -0.296 62.139 62.300 0.225 0.000 0.865 125 V CB 1.486 33.464 31.823 0.258 0.000 0.995 125 V HN 0.816 nan 8.190 nan 0.000 0.424 126 S N 5.005 120.820 115.700 0.190 0.000 2.397 126 S HA 0.669 5.139 4.470 0.000 0.000 0.261 126 S C -0.280 174.321 174.600 0.001 0.000 1.151 126 S CA -0.569 57.690 58.200 0.099 0.000 1.022 126 S CB 1.215 64.473 63.200 0.098 0.000 1.187 126 S HN 0.781 nan 8.310 nan 0.000 0.473 127 K N -0.175 120.153 120.400 -0.119 0.000 2.443 127 K HA 0.645 4.965 4.320 0.000 0.000 0.251 127 K C -3.400 172.919 176.600 -0.468 0.000 0.972 127 K CA -2.125 53.923 56.287 -0.398 0.000 0.833 127 K CB 0.801 33.136 32.500 -0.276 0.000 1.317 127 K HN 0.279 nan 8.250 nan 0.000 0.441 128 P HA 0.058 nan 4.420 nan 0.000 0.270 128 P C 0.202 177.377 177.300 -0.208 0.000 1.223 128 P CA -0.102 62.715 63.100 -0.472 0.000 0.785 128 P CB 0.528 31.756 31.700 -0.787 0.000 0.923 129 E N -0.349 119.817 120.200 -0.058 0.000 2.077 129 E HA -0.064 4.286 4.350 0.000 0.000 0.193 129 E C -0.053 176.559 176.600 0.020 0.000 0.989 129 E CA 1.065 57.463 56.400 -0.003 0.000 0.800 129 E CB 0.013 29.736 29.700 0.039 0.000 0.746 129 E HN 0.163 nan 8.360 nan 0.000 0.452 130 V N 1.925 121.886 119.914 0.079 0.000 2.409 130 V HA 0.215 4.335 4.120 0.000 0.000 0.290 130 V C -0.653 175.610 176.094 0.282 0.000 1.017 130 V CA -0.526 61.878 62.300 0.173 0.000 0.841 130 V CB 1.528 33.483 31.823 0.221 0.000 1.003 130 V HN 0.038 nan 8.190 nan 0.000 0.426 131 E N 2.914 123.201 120.200 0.145 0.000 2.191 131 E HA 0.360 4.710 4.350 0.000 0.000 0.278 131 E C -0.657 175.948 176.600 0.007 0.000 0.972 131 E CA -0.737 55.724 56.400 0.101 0.000 0.804 131 E CB 1.555 31.214 29.700 -0.069 0.000 1.110 131 E HN 0.677 nan 8.360 nan 0.000 0.394 132 H N 4.773 123.648 119.070 -0.325 0.000 2.683 132 H HA 0.067 4.623 4.556 0.000 0.000 0.339 132 H C -1.712 173.499 175.328 -0.195 0.000 1.081 132 H CA -1.812 53.909 56.048 -0.545 0.000 1.432 132 H CB 1.286 30.505 29.762 -0.905 0.000 1.462 132 H HN 0.357 nan 8.280 nan 0.000 0.557 133 P HA -0.092 nan 4.420 nan 0.000 0.223 133 P C 0.706 178.051 177.300 0.074 0.000 1.151 133 P CA 0.932 63.977 63.100 -0.092 0.000 0.787 133 P CB 0.468 32.074 31.700 -0.157 0.000 0.788 134 K N -0.555 120.026 120.400 0.301 0.000 2.404 134 K HA 0.114 4.434 4.320 0.000 0.000 0.194 134 K C 0.791 177.468 176.600 0.128 0.000 1.023 134 K CA 0.249 56.649 56.287 0.188 0.000 1.094 134 K CB 0.466 33.052 32.500 0.144 0.000 0.841 134 K HN 0.105 nan 8.250 nan 0.000 0.523 135 R N 1.287 121.865 120.500 0.130 0.000 2.701 135 R HA 0.212 4.552 4.340 0.000 0.000 0.281 135 R C -0.359 176.029 176.300 0.147 0.000 1.367 135 R CA -0.202 55.963 56.100 0.107 0.000 1.510 135 R CB 0.635 30.929 30.300 -0.010 0.000 1.306 135 R HN 0.003 nan 8.270 nan 0.000 0.682 136 R N 0.724 121.276 120.500 0.087 0.000 2.539 136 R HA 0.328 4.668 4.340 0.000 0.000 0.275 136 R C 0.345 176.640 176.300 -0.009 0.000 1.077 136 R CA -0.515 55.588 56.100 0.005 0.000 1.097 136 R CB 1.047 31.344 30.300 -0.005 0.000 1.018 136 R HN 0.003 nan 8.270 nan 0.000 0.483 137 I N 3.681 124.172 120.570 -0.131 0.000 2.312 137 I HA 0.152 4.322 4.170 0.000 0.000 0.291 137 I C 1.268 177.349 176.117 -0.059 0.000 1.031 137 I CA 0.157 61.384 61.300 -0.121 0.000 1.293 137 I CB 0.977 38.767 38.000 -0.350 0.000 1.403 137 I HN 0.563 nan 8.210 nan 0.000 0.484 138 R N 3.397 123.900 120.500 0.005 0.000 2.437 138 R HA 0.305 4.645 4.340 0.000 0.000 0.257 138 R C 1.224 177.556 176.300 0.052 0.000 0.927 138 R CA 0.251 56.365 56.100 0.023 0.000 1.078 138 R CB 0.731 31.047 30.300 0.027 0.000 1.161 138 R HN 0.940 nan 8.270 nan 0.000 0.529 139 G N 1.681 110.509 108.800 0.046 0.000 2.611 139 G HA2 -0.383 3.577 3.960 0.000 0.000 0.301 139 G HA3 -0.383 3.577 3.960 0.000 0.000 0.301 139 G C 0.405 175.283 174.900 -0.038 0.000 1.233 139 G CA 0.477 45.598 45.100 0.035 0.000 0.993 139 G HN 0.274 nan 8.290 nan 0.000 0.553 140 F N 1.996 121.980 119.950 0.058 0.000 2.771 140 F HA 0.273 4.800 4.527 -0.000 0.000 0.299 140 F C 2.403 178.225 175.800 0.035 0.000 1.177 140 F CA 1.494 59.522 58.000 0.047 0.000 1.450 140 F CB 0.221 39.243 39.000 0.037 0.000 1.114 140 F HN 0.409 nan 8.300 nan 0.000 0.587 141 E N -1.037 119.257 120.200 0.157 0.000 2.463 141 E HA 0.054 4.404 4.350 0.000 0.000 0.193 141 E C 0.166 176.794 176.600 0.047 0.000 1.041 141 E CA -0.210 56.245 56.400 0.091 0.000 0.879 141 E CB 0.128 29.874 29.700 0.076 0.000 0.997 141 E HN 0.204 nan 8.360 nan 0.000 0.478 142 C N 2.606 121.925 119.300 0.032 0.000 2.651 142 C HA 0.135 4.595 4.460 0.000 0.000 0.410 142 C C -1.079 173.902 174.990 -0.016 0.000 1.372 142 C CA -1.454 57.570 59.018 0.011 0.000 1.707 142 C CB 0.372 28.130 27.740 0.030 0.000 2.501 142 C HN 0.306 nan 8.230 nan 0.000 0.598 143 P HA 0.065 nan 4.420 nan 0.000 0.251 143 P C -0.138 177.091 177.300 -0.119 0.000 1.223 143 P CA 0.704 63.767 63.100 -0.063 0.000 0.796 143 P CB 0.157 31.820 31.700 -0.060 0.000 1.068 144 Q N -0.056 119.615 119.800 -0.215 0.000 2.259 144 Q HA 0.408 4.748 4.340 0.000 0.000 0.249 144 Q C 0.049 175.936 176.000 -0.189 0.000 0.914 144 Q CA 0.054 55.635 55.803 -0.370 0.000 0.904 144 Q CB 0.838 28.965 28.738 -1.018 0.000 1.213 144 Q HN -0.150 nan 8.270 nan 0.000 0.428 145 S N 1.204 116.831 115.700 -0.122 0.000 2.525 145 S HA 0.203 4.673 4.470 0.000 0.000 0.278 145 S C -0.692 173.963 174.600 0.092 0.000 1.234 145 S CA -0.602 57.606 58.200 0.012 0.000 1.058 145 S CB 0.586 63.803 63.200 0.028 0.000 0.983 145 S HN 0.503 nan 8.310 nan 0.000 0.495 146 E N 3.654 123.955 120.200 0.168 0.000 2.105 146 E HA 0.229 4.579 4.350 0.000 0.000 0.285 146 E C 0.704 177.365 176.600 0.102 0.000 1.055 146 E CA -0.217 56.301 56.400 0.196 0.000 0.843 146 E CB 0.414 30.216 29.700 0.171 0.000 1.067 146 E HN 0.366 nan 8.360 nan 0.000 0.398 147 V N 3.613 123.570 119.914 0.071 0.000 2.343 147 V HA -0.264 3.856 4.120 0.000 0.000 0.247 147 V C 1.946 177.994 176.094 -0.077 0.000 1.051 147 V CA 2.081 64.379 62.300 -0.003 0.000 1.036 147 V CB -0.507 31.310 31.823 -0.010 0.000 0.654 147 V HN 0.680 nan 8.190 nan 0.000 0.451 148 S N 0.554 116.220 115.700 -0.057 0.000 2.359 148 S HA -0.174 4.296 4.470 0.000 0.000 0.224 148 S C 2.045 176.567 174.600 -0.131 0.000 1.035 148 S CA 1.609 59.728 58.200 -0.136 0.000 1.018 148 S CB -0.742 62.485 63.200 0.045 0.000 0.876 148 S HN 0.711 nan 8.310 nan 0.000 0.448 149 G N 0.911 109.743 108.800 0.053 0.000 2.403 149 G HA2 0.046 4.006 3.960 0.000 0.000 0.216 149 G HA3 0.046 4.006 3.960 0.000 0.000 0.216 149 G C 1.555 176.477 174.900 0.036 0.000 1.154 149 G CA 0.805 45.988 45.100 0.139 0.000 0.784 149 G HN 0.567 nan 8.290 nan 0.000 0.538 150 A N 0.955 123.760 122.820 -0.024 0.000 1.902 150 A HA -0.023 4.297 4.320 0.000 0.000 0.217 150 A C 2.426 179.829 177.584 -0.302 0.000 1.181 150 A CA 1.683 53.628 52.037 -0.153 0.000 0.623 150 A CB -0.405 18.606 19.000 0.019 0.000 0.818 150 A HN 0.346 nan 8.150 nan 0.000 0.443 151 R N -2.005 118.325 120.500 -0.284 0.000 2.073 151 R HA -0.118 4.222 4.340 0.000 0.000 0.234 151 R C 2.032 178.096 176.300 -0.393 0.000 1.134 151 R CA 1.660 57.538 56.100 -0.369 0.000 0.952 151 R CB -0.539 29.377 30.300 -0.640 0.000 0.850 151 R HN 0.593 nan 8.270 nan 0.000 0.433 152 F N -0.092 119.433 119.950 -0.708 0.000 2.046 152 F HA -0.254 4.273 4.527 0.000 0.000 0.297 152 F C 1.704 177.122 175.800 -0.636 0.000 1.123 152 F CA 1.694 59.241 58.000 -0.755 0.000 1.199 152 F CB -0.295 37.979 39.000 -1.210 0.000 0.972 152 F HN 0.034 nan 8.300 nan 0.000 0.474 153 W N -0.632 120.543 121.300 -0.208 0.000 2.467 153 W HA -0.069 4.591 4.660 -0.000 0.000 0.275 153 W C 2.916 179.088 176.519 -0.577 0.000 1.239 153 W CA 0.843 57.999 57.345 -0.316 0.000 1.266 153 W CB -0.712 28.669 29.460 -0.132 0.000 1.112 153 W HN -0.007 nan 8.180 nan 0.000 0.576 154 S N 0.746 116.188 115.700 -0.429 0.000 2.382 154 S HA -0.193 4.277 4.470 0.000 0.000 0.228 154 S C 1.878 176.265 174.600 -0.356 0.000 1.027 154 S CA 1.471 59.494 58.200 -0.295 0.000 0.991 154 S CB -0.451 62.649 63.200 -0.167 0.000 0.823 154 S HN 0.213 nan 8.310 nan 0.000 0.469 155 L N 0.678 121.621 121.223 -0.467 0.000 1.994 155 L HA 0.065 4.405 4.340 0.000 0.000 0.208 155 L C 1.761 178.203 176.870 -0.713 0.000 1.071 155 L CA 2.107 56.565 54.840 -0.636 0.000 0.745 155 L CB -1.110 40.396 42.059 -0.921 0.000 0.892 155 L HN 0.330 nan 8.230 nan 0.000 0.431 156 F N 0.164 119.799 119.950 -0.525 0.000 2.325 156 F HA -0.023 4.504 4.527 0.000 0.000 0.299 156 F C 2.518 178.046 175.800 -0.454 0.000 1.090 156 F CA 1.355 59.079 58.000 -0.460 0.000 1.392 156 F CB -0.796 37.789 39.000 -0.691 0.000 1.053 156 F HN 0.139 nan 8.300 nan 0.000 0.521 157 K N 0.099 120.058 120.400 -0.736 0.000 2.057 157 K HA -0.150 4.170 4.320 0.000 0.000 0.207 157 K C 2.178 178.585 176.600 -0.321 0.000 1.049 157 K CA 1.702 57.407 56.287 -0.972 0.000 0.931 157 K CB -0.186 31.558 32.500 -1.261 0.000 0.714 157 K HN 0.113 nan 8.250 nan 0.000 0.440 158 S N 0.775 116.318 115.700 -0.263 0.000 2.371 158 S HA -0.081 4.389 4.470 0.000 0.000 0.224 158 S C 1.663 176.218 174.600 -0.074 0.000 1.029 158 S CA 0.840 58.953 58.200 -0.145 0.000 0.978 158 S CB -0.146 62.958 63.200 -0.160 0.000 0.833 158 S HN 0.267 nan 8.310 nan 0.000 0.466 159 L N 0.748 121.924 121.223 -0.077 0.000 2.095 159 L HA 0.072 4.412 4.340 0.000 0.000 0.204 159 L C 1.802 178.734 176.870 0.103 0.000 1.080 159 L CA 1.679 56.519 54.840 0.001 0.000 0.759 159 L CB -0.440 41.614 42.059 -0.008 0.000 0.914 159 L HN 0.330 nan 8.230 nan 0.000 0.439 160 C N -0.747 118.663 119.300 0.183 0.000 2.865 160 C HA 0.565 5.025 4.460 0.000 0.000 0.280 160 C C 2.053 177.214 174.990 0.285 0.000 1.255 160 C CA -0.098 59.084 59.018 0.274 0.000 1.705 160 C CB -0.730 27.266 27.740 0.426 0.000 2.080 160 C HN 0.821 nan 8.230 nan 0.000 0.591 161 G N 0.579 109.541 108.800 0.270 0.000 4.825 161 G HA2 -0.230 3.730 3.960 0.000 0.000 0.224 161 G HA3 -0.230 3.730 3.960 0.000 0.000 0.224 161 G C 0.023 175.236 174.900 0.520 0.000 1.356 161 G CA 0.606 45.880 45.100 0.290 0.000 0.966 161 G HN 0.468 nan 8.290 nan 0.000 0.690 162 Q N 1.274 121.329 119.800 0.425 0.000 2.306 162 Q HA 0.471 4.811 4.340 0.000 0.000 0.265 162 Q C -1.590 174.509 176.000 0.166 0.000 1.022 162 Q CA -1.487 54.485 55.803 0.281 0.000 0.853 162 Q CB 2.180 31.001 28.738 0.139 0.000 1.327 162 Q HN 0.321 nan 8.270 nan 0.000 0.449 163 P HA -0.138 nan 4.420 nan 0.000 0.218 163 P C 0.374 177.764 177.300 0.150 0.000 1.149 163 P CA 1.217 64.029 63.100 -0.481 0.000 0.817 163 P CB 0.558 31.758 31.700 -0.834 0.000 0.785 164 E N -0.502 119.806 120.200 0.180 0.000 2.153 164 E HA -0.110 4.240 4.350 0.000 0.000 0.194 164 E C 2.033 178.745 176.600 0.187 0.000 0.988 164 E CA 1.633 58.177 56.400 0.240 0.000 0.811 164 E CB -1.192 28.590 29.700 0.137 0.000 0.746 164 E HN 0.249 nan 8.360 nan 0.000 0.466 165 T N 0.335 114.991 114.554 0.170 0.000 2.777 165 T HA -0.128 4.222 4.350 0.000 0.000 0.266 165 T C 1.480 176.273 174.700 0.154 0.000 1.040 165 T CA 1.032 63.222 62.100 0.150 0.000 1.141 165 T CB -0.350 68.628 68.868 0.183 0.000 0.868 165 T HN 0.204 nan 8.240 nan 0.000 0.444 166 F N 0.987 120.961 119.950 0.040 0.000 2.146 166 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 166 F C 1.349 177.035 175.800 -0.189 0.000 1.096 166 F CA 0.996 58.927 58.000 -0.115 0.000 1.275 166 F CB -0.296 38.565 39.000 -0.231 0.000 1.008 166 F HN 0.082 nan 8.300 nan 0.000 0.480 167 F N 0.601 120.595 119.950 0.074 0.000 2.797 167 F HA 0.133 4.660 4.527 0.000 0.000 0.302 167 F C 2.102 177.868 175.800 -0.058 0.000 1.130 167 F CA 0.380 58.390 58.000 0.017 0.000 1.387 167 F CB -0.697 38.422 39.000 0.198 0.000 1.107 167 F HN -0.100 nan 8.300 nan 0.000 0.577 168 K N -0.301 120.092 120.400 -0.012 0.000 2.063 168 K HA -0.179 4.141 4.320 0.000 0.000 0.208 168 K C 1.288 177.641 176.600 -0.412 0.000 1.048 168 K CA 1.724 57.858 56.287 -0.255 0.000 0.928 168 K CB -0.056 32.186 32.500 -0.429 0.000 0.713 168 K HN 0.244 nan 8.250 nan 0.000 0.442 169 H N -2.366 116.686 119.070 -0.031 0.000 3.233 169 H HA 0.268 4.824 4.556 0.000 0.000 0.263 169 H C -0.253 175.021 175.328 -0.091 0.000 1.168 169 H CA -0.326 55.691 56.048 -0.050 0.000 1.159 169 H CB 0.205 29.936 29.762 -0.053 0.000 1.593 169 H HN 0.102 nan 8.280 nan 0.000 0.580 170 C N 0.604 119.837 119.300 -0.112 0.000 2.719 170 C HA 0.666 5.126 4.460 0.000 0.000 0.327 170 C C -0.283 174.784 174.990 0.129 0.000 1.238 170 C CA -0.636 58.270 59.018 -0.186 0.000 1.727 170 C CB 1.846 29.141 27.740 -0.742 0.000 2.256 170 C HN 0.289 nan 8.230 nan 0.000 0.489 171 F N 0.030 120.055 119.950 0.126 0.000 2.685 171 F HA 0.810 5.337 4.527 -0.000 0.000 0.315 171 F C -1.155 175.005 175.800 0.599 0.000 1.126 171 F CA -0.715 57.531 58.000 0.409 0.000 0.950 171 F CB 1.521 40.637 39.000 0.193 0.000 1.360 171 F HN 0.355 nan 8.300 nan 0.000 0.469 172 V N 2.284 122.276 119.914 0.131 0.000 2.760 172 V HA 0.558 4.678 4.120 0.000 0.000 0.309 172 V C -1.581 174.735 176.094 0.371 0.000 1.077 172 V CA -0.633 61.903 62.300 0.393 0.000 0.910 172 V CB 1.887 33.987 31.823 0.462 0.000 1.008 172 V HN 0.897 nan 8.190 nan 0.000 0.424 173 H N 2.610 121.900 119.070 0.367 0.000 3.042 173 H HA 0.582 5.138 4.556 -0.000 0.000 0.346 173 H C -1.254 174.252 175.328 0.297 0.000 1.294 173 H CA -0.589 55.715 56.048 0.426 0.000 1.141 173 H CB 1.970 32.098 29.762 0.611 0.000 1.872 173 H HN 0.605 nan 8.280 nan 0.000 0.541 174 N N 0.555 119.043 118.700 -0.354 0.000 2.370 174 N HA 0.112 4.852 4.740 0.000 0.000 0.303 174 N C 0.506 175.822 175.510 -0.324 0.000 1.103 174 N CA -0.401 52.497 53.050 -0.254 0.000 0.848 174 N CB 1.308 39.671 38.487 -0.206 0.000 1.235 174 N HN 0.774 nan 8.380 nan 0.000 0.496 175 H N 0.819 119.844 119.070 -0.076 0.000 2.352 175 H HA -0.014 4.543 4.556 0.000 0.000 0.299 175 H C 0.125 175.473 175.328 0.033 0.000 1.097 175 H CA 1.571 57.647 56.048 0.047 0.000 1.311 175 H CB 0.254 30.131 29.762 0.191 0.000 1.377 175 H HN 0.449 nan 8.280 nan 0.000 0.504 176 C N 1.499 120.788 119.300 -0.018 0.000 2.482 176 C HA 0.387 4.847 4.460 0.000 0.000 0.317 176 C C -1.796 173.148 174.990 -0.077 0.000 1.197 176 C CA -1.621 57.368 59.018 -0.048 0.000 1.432 176 C CB 1.545 29.327 27.740 0.070 0.000 2.062 176 C HN 0.400 nan 8.230 nan 0.000 0.471 177 P HA 0.111 nan 4.420 nan 0.000 0.245 177 P C 0.055 177.262 177.300 -0.155 0.000 1.203 177 P CA 0.521 63.556 63.100 -0.109 0.000 0.792 177 P CB 0.157 31.812 31.700 -0.075 0.000 0.997 178 L N 0.701 121.801 121.223 -0.206 0.000 2.395 178 L HA 0.382 4.722 4.340 0.000 0.000 0.269 178 L C 0.756 177.255 176.870 -0.618 0.000 1.133 178 L CA -0.709 53.866 54.840 -0.442 0.000 0.812 178 L CB 1.038 42.705 42.059 -0.655 0.000 1.125 178 L HN -0.117 nan 8.230 nan 0.000 0.452 179 I N 1.472 121.646 120.570 -0.661 0.000 2.474 179 I HA 0.466 4.636 4.170 0.000 0.000 0.294 179 I C -1.286 174.345 176.117 -0.810 0.000 1.005 179 I CA -0.361 60.581 61.300 -0.596 0.000 1.113 179 I CB 1.548 39.362 38.000 -0.310 0.000 1.289 179 I HN 0.294 nan 8.210 nan 0.000 0.436 180 F N 6.977 126.749 119.950 -0.296 0.000 2.508 180 F HA 0.658 5.185 4.527 -0.000 0.000 0.325 180 F C -0.218 175.418 175.800 -0.273 0.000 1.090 180 F CA -0.535 57.281 58.000 -0.306 0.000 0.945 180 F CB 2.011 40.823 39.000 -0.312 0.000 1.156 180 F HN 0.237 nan 8.300 nan 0.000 0.463 181 M N 2.311 121.889 119.600 -0.038 0.000 2.550 181 M HA 0.356 4.836 4.480 0.000 0.000 0.292 181 M C -0.395 175.943 176.300 0.063 0.000 1.221 181 M CA -0.863 54.401 55.300 -0.061 0.000 0.873 181 M CB 2.213 34.703 32.600 -0.184 0.000 1.727 181 M HN 0.672 nan 8.290 nan 0.000 0.459 182 N N 0.281 118.986 118.700 0.008 0.000 2.443 182 N HA 0.147 4.887 4.740 0.000 0.000 0.294 182 N C 0.708 176.307 175.510 0.150 0.000 1.289 182 N CA 0.186 53.276 53.050 0.066 0.000 0.966 182 N CB -0.214 38.285 38.487 0.021 0.000 1.122 182 N HN 0.850 nan 8.380 nan 0.000 0.569 183 H N -2.468 116.688 119.070 0.143 0.000 2.387 183 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 183 H C 1.317 176.813 175.328 0.281 0.000 1.090 183 H CA 1.925 58.115 56.048 0.237 0.000 1.332 183 H CB -0.413 29.427 29.762 0.130 0.000 1.386 183 H HN 0.521 nan 8.280 nan 0.000 0.516 184 S N -1.051 114.276 115.700 -0.622 0.000 2.575 184 S HA 0.290 4.760 4.470 0.000 0.000 0.215 184 S C 1.772 176.001 174.600 -0.618 0.000 0.966 184 S CA 0.024 57.973 58.200 -0.419 0.000 0.911 184 S CB -0.105 62.769 63.200 -0.543 0.000 0.780 184 S HN 0.980 nan 8.310 nan 0.000 0.514 185 G N 1.397 109.735 108.800 -0.770 0.000 2.176 185 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 185 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 185 G C -0.036 174.585 174.900 -0.464 0.000 0.979 185 G CA 0.198 44.743 45.100 -0.925 0.000 0.641 185 G HN 0.726 nan 8.290 nan 0.000 0.530 186 K N 1.036 121.236 120.400 -0.334 0.000 2.412 186 K HA 0.152 4.472 4.320 0.000 0.000 0.281 186 K C 0.727 177.212 176.600 -0.192 0.000 1.027 186 K CA -0.403 55.749 56.287 -0.224 0.000 0.989 186 K CB 0.147 32.542 32.500 -0.175 0.000 0.935 186 K HN 0.303 nan 8.250 nan 0.000 0.475 187 N N 4.352 122.942 118.700 -0.183 0.000 2.458 187 N HA 0.015 4.755 4.740 0.000 0.000 0.258 187 N C -1.059 174.381 175.510 -0.116 0.000 1.219 187 N CA 0.166 53.117 53.050 -0.165 0.000 0.902 187 N CB 0.413 38.793 38.487 -0.178 0.000 1.076 187 N HN 0.407 nan 8.380 nan 0.000 0.455 188 L N 2.585 123.761 121.223 -0.078 0.000 2.349 188 L HA 0.260 4.600 4.340 0.000 0.000 0.278 188 L C 0.795 177.632 176.870 -0.055 0.000 0.996 188 L CA -0.917 53.880 54.840 -0.072 0.000 0.825 188 L CB 1.758 43.772 42.059 -0.075 0.000 1.243 188 L HN 0.586 nan 8.230 nan 0.000 0.412 189 T N -0.600 113.888 114.554 -0.110 0.000 2.860 189 T HA 0.211 4.561 4.350 0.000 0.000 0.299 189 T C -1.848 172.745 174.700 -0.179 0.000 1.045 189 T CA -1.435 60.580 62.100 -0.143 0.000 1.071 189 T CB 1.032 69.773 68.868 -0.212 0.000 0.985 189 T HN 0.307 nan 8.240 nan 0.000 0.537 190 P HA -0.154 nan 4.420 nan 0.000 0.216 190 P C 1.847 179.036 177.300 -0.186 0.000 1.150 190 P CA 1.790 64.768 63.100 -0.204 0.000 0.843 190 P CB -0.352 31.277 31.700 -0.119 0.000 0.787 191 T N -4.263 110.171 114.554 -0.199 0.000 2.915 191 T HA -0.116 4.234 4.350 0.000 0.000 0.269 191 T C 1.372 176.019 174.700 -0.089 0.000 1.071 191 T CA 1.125 63.168 62.100 -0.094 0.000 1.132 191 T CB -0.902 67.923 68.868 -0.072 0.000 0.878 191 T HN 0.040 nan 8.240 nan 0.000 0.479 192 D N 1.166 121.490 120.400 -0.127 0.000 2.312 192 D HA 0.130 4.770 4.640 0.000 0.000 0.211 192 D C 0.809 177.038 176.300 -0.119 0.000 0.964 192 D CA 0.230 54.164 54.000 -0.109 0.000 0.877 192 D CB -0.204 40.527 40.800 -0.114 0.000 0.924 192 D HN 0.460 nan 8.370 nan 0.000 0.515 193 L N 1.505 122.629 121.223 -0.164 0.000 2.467 193 L HA 0.147 4.487 4.340 0.000 0.000 0.270 193 L C -1.973 174.852 176.870 -0.075 0.000 1.205 193 L CA -1.665 53.076 54.840 -0.164 0.000 0.828 193 L CB -0.249 41.669 42.059 -0.235 0.000 1.101 193 L HN -0.290 nan 8.230 nan 0.000 0.479 194 P HA -0.048 nan 4.420 nan 0.000 0.262 194 P C 0.171 177.463 177.300 -0.013 0.000 1.182 194 P CA -0.151 62.936 63.100 -0.022 0.000 0.761 194 P CB 0.304 31.998 31.700 -0.010 0.000 0.795 195 K N 3.430 123.826 120.400 -0.008 0.000 2.163 195 K HA -0.280 4.040 4.320 0.000 0.000 0.210 195 K C 1.611 178.214 176.600 0.005 0.000 1.048 195 K CA 2.297 58.585 56.287 0.002 0.000 0.928 195 K CB -1.745 30.756 32.500 0.003 0.000 0.716 195 K HN 0.436 nan 8.250 nan 0.000 0.459 196 A N 1.813 124.632 122.820 -0.002 0.000 1.845 196 A HA -0.223 4.097 4.320 0.000 0.000 0.215 196 A C 2.344 179.923 177.584 -0.009 0.000 1.195 196 A CA 1.872 53.904 52.037 -0.008 0.000 0.616 196 A CB -0.684 18.307 19.000 -0.016 0.000 0.832 196 A HN 0.474 nan 8.150 nan 0.000 0.443 197 Q N -1.025 118.768 119.800 -0.012 0.000 2.167 197 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 197 Q C 2.250 178.277 176.000 0.045 0.000 0.970 197 Q CA 1.545 57.343 55.803 -0.009 0.000 0.855 197 Q CB -0.174 28.576 28.738 0.020 0.000 0.911 197 Q HN 0.687 nan 8.270 nan 0.000 0.438 198 R N 0.670 121.189 120.500 0.032 0.000 2.070 198 R HA -0.175 4.165 4.340 0.000 0.000 0.233 198 R C 1.271 177.616 176.300 0.075 0.000 1.137 198 R CA 1.837 57.962 56.100 0.041 0.000 0.945 198 R CB -0.066 30.245 30.300 0.017 0.000 0.845 198 R HN 0.223 nan 8.270 nan 0.000 0.430 199 D N -0.462 119.972 120.400 0.056 0.000 2.117 199 D HA -0.114 4.526 4.640 0.000 0.000 0.197 199 D C 1.777 178.116 176.300 0.065 0.000 0.987 199 D CA 1.761 55.798 54.000 0.062 0.000 0.829 199 D CB -0.260 40.563 40.800 0.040 0.000 0.961 199 D HN 0.323 nan 8.370 nan 0.000 0.460 200 T N 1.467 116.048 114.554 0.046 0.000 2.737 200 T HA -0.117 4.233 4.350 0.000 0.000 0.265 200 T C 1.963 176.702 174.700 0.065 0.000 1.038 200 T CA 0.394 62.516 62.100 0.036 0.000 1.144 200 T CB -0.338 68.529 68.868 -0.002 0.000 0.866 200 T HN 0.025 nan 8.240 nan 0.000 0.434 201 L N 1.226 122.508 121.223 0.099 0.000 1.990 201 L HA -0.050 4.290 4.340 0.000 0.000 0.213 201 L C 2.150 179.111 176.870 0.153 0.000 1.072 201 L CA 1.783 56.720 54.840 0.162 0.000 0.755 201 L CB -0.787 41.423 42.059 0.251 0.000 0.889 201 L HN 0.249 nan 8.230 nan 0.000 0.432 202 L N -1.067 120.262 121.223 0.177 0.000 2.156 202 L HA -0.152 4.188 4.340 0.000 0.000 0.208 202 L C 2.472 179.466 176.870 0.207 0.000 1.095 202 L CA 1.064 56.056 54.840 0.253 0.000 0.770 202 L CB -0.514 41.724 42.059 0.299 0.000 0.914 202 L HN 0.349 nan 8.230 nan 0.000 0.439 203 E N 0.510 120.790 120.200 0.133 0.000 2.051 203 E HA -0.207 4.143 4.350 0.000 0.000 0.192 203 E C 2.273 178.921 176.600 0.079 0.000 0.991 203 E CA 1.184 57.644 56.400 0.099 0.000 0.799 203 E CB -0.045 29.696 29.700 0.067 0.000 0.748 203 E HN 0.410 nan 8.360 nan 0.000 0.449 204 I N 0.356 120.964 120.570 0.064 0.000 2.226 204 I HA -0.339 3.831 4.170 0.000 0.000 0.245 204 I C 2.191 178.320 176.117 0.020 0.000 1.100 204 I CA 0.699 62.024 61.300 0.042 0.000 1.374 204 I CB -0.149 37.876 38.000 0.042 0.000 1.057 204 I HN 0.293 nan 8.210 nan 0.000 0.413 205 C N 0.321 119.613 119.300 -0.012 0.000 2.450 205 C HA -0.119 4.341 4.460 0.000 0.000 0.279 205 C C 2.382 177.307 174.990 -0.108 0.000 1.335 205 C CA 0.432 59.340 59.018 -0.184 0.000 1.749 205 C CB -0.984 26.464 27.740 -0.488 0.000 1.963 205 C HN 0.506 nan 8.230 nan 0.000 0.501 206 D N 0.638 121.111 120.400 0.121 0.000 2.123 206 D HA -0.153 4.487 4.640 0.000 0.000 0.196 206 D C 2.118 178.499 176.300 0.136 0.000 0.992 206 D CA 1.224 55.368 54.000 0.241 0.000 0.833 206 D CB -0.477 40.436 40.800 0.188 0.000 0.954 206 D HN 0.626 nan 8.370 nan 0.000 0.455 207 E N 0.157 120.407 120.200 0.084 0.000 2.072 207 E HA -0.134 4.216 4.350 0.000 0.000 0.191 207 E C 1.958 178.592 176.600 0.057 0.000 0.985 207 E CA 0.975 57.412 56.400 0.061 0.000 0.801 207 E CB 0.020 29.745 29.700 0.043 0.000 0.750 207 E HN 0.175 nan 8.360 nan 0.000 0.452 208 A N 1.001 123.849 122.820 0.046 0.000 1.930 208 A HA -0.141 4.179 4.320 0.000 0.000 0.217 208 A C 2.099 179.735 177.584 0.085 0.000 1.175 208 A CA 1.065 53.127 52.037 0.041 0.000 0.627 208 A CB -0.555 18.460 19.000 0.025 0.000 0.815 208 A HN 0.376 nan 8.150 nan 0.000 0.443 209 L N -0.076 121.231 121.223 0.140 0.000 2.017 209 L HA -0.177 4.163 4.340 0.000 0.000 0.208 209 L C 2.451 179.423 176.870 0.169 0.000 1.073 209 L CA 2.185 57.160 54.840 0.225 0.000 0.745 209 L CB -1.030 41.217 42.059 0.313 0.000 0.894 209 L HN 0.456 nan 8.230 nan 0.000 0.432 210 C N -0.408 118.969 119.300 0.128 0.000 2.413 210 C HA -0.211 4.249 4.460 0.000 0.000 0.276 210 C C 2.722 177.759 174.990 0.078 0.000 1.236 210 C CA 1.196 60.272 59.018 0.096 0.000 1.735 210 C CB -1.054 26.731 27.740 0.075 0.000 2.031 210 C HN 0.633 nan 8.230 nan 0.000 0.474 211 Q N 0.547 120.384 119.800 0.062 0.000 2.084 211 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 211 Q C 2.526 178.556 176.000 0.050 0.000 0.978 211 Q CA 1.768 57.596 55.803 0.041 0.000 0.844 211 Q CB -0.371 28.376 28.738 0.015 0.000 0.898 211 Q HN 0.761 nan 8.270 nan 0.000 0.426 212 A N 0.443 123.297 122.820 0.056 0.000 1.902 212 A HA -0.134 4.186 4.320 0.000 0.000 0.217 212 A C 2.346 180.028 177.584 0.164 0.000 1.181 212 A CA 1.257 53.354 52.037 0.099 0.000 0.623 212 A CB -0.707 18.334 19.000 0.068 0.000 0.818 212 A HN 0.212 nan 8.150 nan 0.000 0.443 213 V N -0.032 119.969 119.914 0.146 0.000 2.407 213 V HA -0.265 3.855 4.120 0.000 0.000 0.248 213 V C 2.689 178.836 176.094 0.089 0.000 1.055 213 V CA 2.278 64.655 62.300 0.129 0.000 1.049 213 V CB -0.740 31.153 31.823 0.117 0.000 0.662 213 V HN 0.528 nan 8.190 nan 0.000 0.455 214 R N -0.763 119.782 120.500 0.074 0.000 2.073 214 R HA -0.072 4.268 4.340 0.000 0.000 0.229 214 R C 2.259 178.588 176.300 0.049 0.000 1.120 214 R CA 1.202 57.333 56.100 0.052 0.000 0.967 214 R CB -0.516 29.811 30.300 0.044 0.000 0.862 214 R HN 0.386 nan 8.270 nan 0.000 0.436 215 V N 1.817 121.769 119.914 0.063 0.000 2.332 215 V HA -0.252 3.868 4.120 0.000 0.000 0.248 215 V C 2.264 178.383 176.094 0.043 0.000 1.055 215 V CA 1.747 64.085 62.300 0.062 0.000 1.038 215 V CB -0.382 31.503 31.823 0.102 0.000 0.651 215 V HN 0.309 nan 8.190 nan 0.000 0.450 216 L N -0.176 121.078 121.223 0.052 0.000 2.240 216 L HA 0.190 4.530 4.340 0.000 0.000 0.211 216 L C 1.788 178.659 176.870 0.002 0.000 1.106 216 L CA 0.992 55.828 54.840 -0.007 0.000 0.793 216 L CB -0.696 41.364 42.059 0.001 0.000 0.927 216 L HN 0.588 nan 8.230 nan 0.000 0.446 217 G N 1.019 109.834 108.800 0.024 0.000 2.160 217 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 217 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 217 G C 0.293 175.204 174.900 0.020 0.000 1.022 217 G CA 0.220 45.332 45.100 0.019 0.000 0.741 217 G HN 0.260 nan 8.290 nan 0.000 0.508 218 V N -2.601 117.331 119.914 0.031 0.000 2.715 218 V HA 0.678 4.798 4.120 0.000 0.000 0.299 218 V C 1.253 177.355 176.094 0.014 0.000 1.054 218 V CA -0.096 62.219 62.300 0.026 0.000 1.077 218 V CB 1.456 33.306 31.823 0.045 0.000 0.972 218 V HN 0.070 nan 8.190 nan 0.000 0.484 219 K N 2.649 123.047 120.400 -0.004 0.000 2.323 219 K HA 0.391 4.711 4.320 0.000 0.000 0.197 219 K C -0.101 176.489 176.600 -0.016 0.000 1.043 219 K CA 0.406 56.687 56.287 -0.010 0.000 0.997 219 K CB 0.070 32.557 32.500 -0.021 0.000 0.807 219 K HN 0.699 nan 8.250 nan 0.000 0.497 220 L N 0.430 121.637 121.223 -0.027 0.000 2.436 220 L HA 0.380 4.720 4.340 0.000 0.000 0.268 220 L C -1.402 175.438 176.870 -0.049 0.000 0.974 220 L CA -0.799 54.015 54.840 -0.042 0.000 0.826 220 L CB 2.303 44.321 42.059 -0.069 0.000 1.291 220 L HN -0.280 nan 8.230 nan 0.000 0.406 221 V N 6.305 126.204 119.914 -0.025 0.000 2.398 221 V HA 0.482 4.602 4.120 0.000 0.000 0.286 221 V C 0.010 176.083 176.094 -0.034 0.000 1.026 221 V CA -0.349 61.946 62.300 -0.008 0.000 0.868 221 V CB 1.551 33.408 31.823 0.056 0.000 0.982 221 V HN 0.584 nan 8.190 nan 0.000 0.443 222 I N 4.347 124.865 120.570 -0.087 0.000 2.328 222 I HA 0.427 4.597 4.170 0.000 0.000 0.287 222 I C 1.000 177.191 176.117 0.123 0.000 1.012 222 I CA -0.247 61.031 61.300 -0.036 0.000 1.195 222 I CB 1.435 39.315 38.000 -0.200 0.000 1.350 222 I HN 0.713 nan 8.210 nan 0.000 0.464 223 G N 5.911 114.795 108.800 0.140 0.000 2.364 223 G HA2 0.367 4.327 3.960 0.000 0.000 0.267 223 G HA3 0.367 4.327 3.960 0.000 0.000 0.267 223 G C -0.177 174.888 174.900 0.275 0.000 1.233 223 G CA -0.260 44.958 45.100 0.196 0.000 0.885 223 G HN 0.395 nan 8.290 nan 0.000 0.490 224 V N 3.198 123.332 119.914 0.366 0.000 2.339 224 V HA 0.650 4.771 4.120 0.000 0.000 0.261 224 V C 0.969 177.339 176.094 0.461 0.000 1.058 224 V CA 0.813 63.363 62.300 0.417 0.000 0.897 224 V CB -0.418 31.675 31.823 0.450 0.000 1.052 224 V HN 1.533 nan 8.190 nan 0.000 0.480 225 G N 5.127 114.160 108.800 0.390 0.000 2.663 225 G HA2 -0.122 3.838 3.960 0.000 0.000 0.686 225 G HA3 -0.122 3.838 3.960 0.000 0.000 0.686 225 G C 0.262 175.303 174.900 0.235 0.000 1.246 225 G CA -0.643 44.663 45.100 0.345 0.000 0.795 225 G HN 0.430 nan 8.290 nan 0.000 0.627 226 R N 0.248 120.855 120.500 0.179 0.000 2.096 226 R HA -0.045 4.295 4.340 0.000 0.000 0.235 226 R C 2.332 178.697 176.300 0.108 0.000 1.127 226 R CA 2.185 58.359 56.100 0.122 0.000 0.968 226 R CB -0.873 29.486 30.300 0.099 0.000 0.861 226 R HN 0.671 nan 8.270 nan 0.000 0.440 227 F N 1.577 121.545 119.950 0.030 0.000 2.102 227 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 227 F C 2.195 177.990 175.800 -0.008 0.000 1.105 227 F CA 1.694 59.695 58.000 0.002 0.000 1.239 227 F CB -0.196 38.799 39.000 -0.009 0.000 0.991 227 F HN -0.100 nan 8.300 nan 0.000 0.474 228 S N -0.233 115.549 115.700 0.136 0.000 2.387 228 S HA -0.190 4.280 4.470 0.000 0.000 0.226 228 S C 1.936 176.509 174.600 -0.045 0.000 1.026 228 S CA 1.121 59.346 58.200 0.042 0.000 0.972 228 S CB -0.436 62.912 63.200 0.247 0.000 0.814 228 S HN 0.586 nan 8.310 nan 0.000 0.477 229 E N 1.266 121.477 120.200 0.018 0.000 2.051 229 E HA -0.222 4.128 4.350 0.000 0.000 0.192 229 E C 2.032 178.593 176.600 -0.066 0.000 0.991 229 E CA 1.168 57.572 56.400 0.008 0.000 0.799 229 E CB -0.104 29.623 29.700 0.046 0.000 0.748 229 E HN 0.538 nan 8.360 nan 0.000 0.449 230 Q N -0.292 119.438 119.800 -0.118 0.000 2.123 230 Q HA -0.138 4.202 4.340 0.000 0.000 0.199 230 Q C 2.263 178.125 176.000 -0.230 0.000 0.966 230 Q CA 1.168 56.883 55.803 -0.147 0.000 0.845 230 Q CB -0.025 28.634 28.738 -0.132 0.000 0.907 230 Q HN 0.011 nan 8.270 nan 0.000 0.439 231 R N 0.621 120.873 120.500 -0.413 0.000 2.092 231 R HA -0.043 4.297 4.340 0.000 0.000 0.231 231 R C 1.887 178.018 176.300 -0.282 0.000 1.119 231 R CA 1.385 57.192 56.100 -0.489 0.000 0.970 231 R CB -0.419 29.307 30.300 -0.958 0.000 0.864 231 R HN 0.251 nan 8.270 nan 0.000 0.440 232 A N 0.181 122.883 122.820 -0.195 0.000 1.897 232 A HA -0.103 4.217 4.320 0.000 0.000 0.215 232 A C 2.175 179.741 177.584 -0.029 0.000 1.181 232 A CA 1.336 53.338 52.037 -0.058 0.000 0.620 232 A CB -0.522 18.481 19.000 0.005 0.000 0.821 232 A HN 0.351 nan 8.150 nan 0.000 0.443 233 R N 0.108 120.581 120.500 -0.045 0.000 2.083 233 R HA -0.203 4.137 4.340 0.000 0.000 0.237 233 R C 2.318 178.603 176.300 -0.026 0.000 1.137 233 R CA 2.110 58.194 56.100 -0.027 0.000 0.951 233 R CB -0.265 30.017 30.300 -0.031 0.000 0.851 233 R HN 0.566 nan 8.270 nan 0.000 0.434 234 K N -0.306 120.066 120.400 -0.048 0.000 2.057 234 K HA -0.104 4.216 4.320 0.000 0.000 0.206 234 K C 1.912 178.505 176.600 -0.011 0.000 1.050 234 K CA 1.439 57.705 56.287 -0.035 0.000 0.935 234 K CB -0.166 32.299 32.500 -0.059 0.000 0.715 234 K HN 0.247 nan 8.250 nan 0.000 0.439 235 A N 1.495 124.312 122.820 -0.006 0.000 1.898 235 A HA -0.069 4.251 4.320 0.000 0.000 0.216 235 A C 2.141 179.750 177.584 0.042 0.000 1.181 235 A CA 1.153 53.212 52.037 0.036 0.000 0.620 235 A CB -0.528 18.519 19.000 0.079 0.000 0.819 235 A HN 0.327 nan 8.150 nan 0.000 0.442 236 L N -1.337 119.908 121.223 0.036 0.000 2.156 236 L HA -0.109 4.231 4.340 0.000 0.000 0.208 236 L C 2.768 179.654 176.870 0.025 0.000 1.095 236 L CA 1.510 56.373 54.840 0.037 0.000 0.770 236 L CB -0.451 41.630 42.059 0.038 0.000 0.914 236 L HN 0.558 nan 8.230 nan 0.000 0.439 237 M N 0.025 119.635 119.600 0.016 0.000 2.175 237 M HA -0.140 4.340 4.480 0.000 0.000 0.264 237 M C 2.230 178.538 176.300 0.014 0.000 1.063 237 M CA 1.799 57.106 55.300 0.011 0.000 1.119 237 M CB -0.053 32.550 32.600 0.004 0.000 1.377 237 M HN 0.217 nan 8.290 nan 0.000 0.415 238 A N -0.313 122.517 122.820 0.017 0.000 2.121 238 A HA -0.111 4.209 4.320 0.000 0.000 0.218 238 A C 1.620 179.217 177.584 0.022 0.000 1.154 238 A CA 1.429 53.477 52.037 0.019 0.000 0.679 238 A CB -0.459 18.554 19.000 0.022 0.000 0.795 238 A HN 0.695 nan 8.150 nan 0.000 0.458 239 E N -1.816 118.399 120.200 0.025 0.000 2.583 239 E HA 0.298 4.648 4.350 0.000 0.000 0.213 239 E C 0.689 177.302 176.600 0.023 0.000 0.989 239 E CA 0.147 56.562 56.400 0.026 0.000 0.991 239 E CB 0.326 30.046 29.700 0.033 0.000 1.040 239 E HN 0.634 nan 8.360 nan 0.000 0.481 240 G N 2.249 111.061 108.800 0.020 0.000 2.221 240 G HA2 -0.282 3.678 3.960 0.000 0.000 0.265 240 G HA3 -0.282 3.678 3.960 0.000 0.000 0.265 240 G C 0.067 174.978 174.900 0.018 0.000 1.041 240 G CA 0.097 45.207 45.100 0.016 0.000 0.807 240 G HN 0.216 nan 8.290 nan 0.000 0.502 241 I N 1.386 121.969 120.570 0.022 0.000 2.342 241 I HA 0.250 4.420 4.170 0.000 0.000 0.291 241 I C 0.343 176.471 176.117 0.019 0.000 1.010 241 I CA -0.587 60.727 61.300 0.023 0.000 1.308 241 I CB 1.109 39.128 38.000 0.032 0.000 1.400 241 I HN 0.294 nan 8.210 nan 0.000 0.488 242 D N 7.336 127.745 120.400 0.015 0.000 2.639 242 D HA 0.171 4.811 4.640 0.000 0.000 0.233 242 D C -0.598 175.709 176.300 0.011 0.000 1.161 242 D CA -0.132 53.875 54.000 0.011 0.000 1.003 242 D CB 0.730 41.535 40.800 0.007 0.000 1.034 242 D HN 0.086 nan 8.370 nan 0.000 0.514 243 V N 1.267 121.190 119.914 0.014 0.000 2.495 243 V HA 0.223 4.344 4.120 0.000 0.000 0.298 243 V C 0.689 176.788 176.094 0.009 0.000 1.031 243 V CA -0.677 61.631 62.300 0.013 0.000 0.871 243 V CB 1.932 33.770 31.823 0.024 0.000 0.988 243 V HN 0.373 nan 8.190 nan 0.000 0.432 244 T N 4.092 118.647 114.554 0.001 0.000 2.926 244 T HA 0.382 4.732 4.350 0.000 0.000 0.307 244 T C -0.188 174.512 174.700 -0.001 0.000 1.059 244 T CA -0.038 62.060 62.100 -0.002 0.000 1.122 244 T CB 0.972 69.835 68.868 -0.010 0.000 0.972 244 T HN 0.411 nan 8.240 nan 0.000 0.545 245 V N 4.197 124.111 119.914 0.001 0.000 2.525 245 V HA 0.492 4.612 4.120 0.000 0.000 0.299 245 V C -0.049 176.047 176.094 0.004 0.000 1.034 245 V CA -0.844 61.459 62.300 0.004 0.000 0.863 245 V CB 1.773 33.601 31.823 0.008 0.000 0.999 245 V HN 0.740 nan 8.190 nan 0.000 0.423 246 K N 2.094 122.497 120.400 0.005 0.000 2.149 246 K HA 0.890 5.210 4.320 0.000 0.000 0.241 246 K C -0.086 176.538 176.600 0.039 0.000 1.083 246 K CA -0.649 55.647 56.287 0.014 0.000 0.885 246 K CB 2.517 35.019 32.500 0.003 0.000 1.374 246 K HN 0.836 nan 8.250 nan 0.000 0.511 247 G N 0.323 109.157 108.800 0.056 0.000 2.692 247 G HA2 0.657 4.617 3.960 0.000 0.000 0.291 247 G HA3 0.657 4.617 3.960 0.000 0.000 0.291 247 G C -1.079 173.890 174.900 0.114 0.000 1.423 247 G CA -0.756 44.404 45.100 0.100 0.000 0.843 247 G HN 0.554 nan 8.290 nan 0.000 0.486 248 I N -2.114 118.560 120.570 0.174 0.000 3.108 248 I HA 0.709 4.879 4.170 0.000 0.000 0.312 248 I C 0.126 176.371 176.117 0.214 0.000 1.095 248 I CA -1.482 59.914 61.300 0.160 0.000 1.000 248 I CB 2.361 40.464 38.000 0.173 0.000 1.229 248 I HN 0.576 nan 8.210 nan 0.000 0.454 249 M N 3.338 123.054 119.600 0.193 0.000 2.239 249 M HA 0.108 4.588 4.480 0.000 0.000 0.348 249 M C -0.093 176.524 176.300 0.528 0.000 1.239 249 M CA 0.082 55.564 55.300 0.304 0.000 1.114 249 M CB 0.239 32.989 32.600 0.249 0.000 1.641 249 M HN 0.670 nan 8.290 nan 0.000 0.453 250 H N 6.660 125.929 119.070 0.331 0.000 2.652 250 H HA 0.213 4.769 4.556 -0.000 0.000 0.349 250 H C -2.058 173.306 175.328 0.059 0.000 1.099 250 H CA -1.314 54.881 56.048 0.244 0.000 1.417 250 H CB 1.190 31.050 29.762 0.163 0.000 1.457 250 H HN 0.479 nan 8.280 nan 0.000 0.568 251 P HA -0.054 nan 4.420 nan 0.000 0.245 251 P C 0.434 177.496 177.300 -0.397 0.000 1.212 251 P CA 0.072 62.508 63.100 -1.107 0.000 0.774 251 P CB 0.058 30.721 31.700 -1.728 0.000 0.999 252 S N 2.664 118.439 115.700 0.125 0.000 2.563 252 S HA 0.054 4.524 4.470 0.000 0.000 0.294 252 S C -1.077 173.525 174.600 0.004 0.000 1.279 252 S CA -0.849 57.416 58.200 0.109 0.000 1.069 252 S CB 0.085 63.368 63.200 0.138 0.000 0.828 252 S HN 0.050 nan 8.310 nan 0.000 0.497 253 P HA 0.028 nan 4.420 nan 0.000 0.242 253 P C 0.928 178.229 177.300 0.002 0.000 1.197 253 P CA 0.254 63.347 63.100 -0.012 0.000 0.765 253 P CB 0.111 31.803 31.700 -0.014 0.000 0.936 254 R N -0.230 120.270 120.500 0.001 0.000 2.235 254 R HA 0.005 4.346 4.340 0.000 0.000 0.213 254 R C 0.740 177.043 176.300 0.005 0.000 1.059 254 R CA 0.372 56.469 56.100 -0.005 0.000 0.997 254 R CB -1.011 29.275 30.300 -0.024 0.000 0.884 254 R HN 0.213 nan 8.270 nan 0.000 0.462 255 N N 1.564 120.277 118.700 0.022 0.000 2.437 255 N HA 0.093 4.833 4.740 0.000 0.000 0.243 255 N C -2.041 173.497 175.510 0.046 0.000 1.041 255 N CA -2.184 50.892 53.050 0.042 0.000 0.940 255 N CB 1.452 39.986 38.487 0.077 0.000 1.133 255 N HN -0.178 nan 8.380 nan 0.000 0.506 256 P HA -0.133 nan 4.420 nan 0.000 0.218 256 P C 0.818 178.148 177.300 0.049 0.000 1.148 256 P CA 1.287 64.408 63.100 0.035 0.000 0.822 256 P CB 0.324 32.040 31.700 0.026 0.000 0.784 257 Q N -0.497 119.340 119.800 0.062 0.000 2.124 257 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 257 Q C 2.174 178.240 176.000 0.110 0.000 0.977 257 Q CA 1.651 57.499 55.803 0.075 0.000 0.850 257 Q CB -0.733 28.054 28.738 0.082 0.000 0.901 257 Q HN 0.210 nan 8.270 nan 0.000 0.429 258 A N 1.254 124.159 122.820 0.143 0.000 2.066 258 A HA -0.104 4.216 4.320 0.000 0.000 0.218 258 A C 1.424 179.090 177.584 0.136 0.000 1.157 258 A CA 0.890 53.053 52.037 0.211 0.000 0.670 258 A CB -0.103 18.988 19.000 0.151 0.000 0.804 258 A HN 0.253 nan 8.150 nan 0.000 0.453 259 N N -0.111 118.635 118.700 0.077 0.000 2.398 259 N HA 0.028 4.768 4.740 0.000 0.000 0.188 259 N C 0.408 175.947 175.510 0.048 0.000 1.122 259 N CA 0.564 53.644 53.050 0.050 0.000 0.866 259 N CB 0.189 38.693 38.487 0.028 0.000 0.970 259 N HN 0.531 nan 8.380 nan 0.000 0.462 260 K N -0.253 120.182 120.400 0.058 0.000 2.514 260 K HA 0.314 4.634 4.320 0.000 0.000 0.207 260 K C 0.140 176.762 176.600 0.038 0.000 1.035 260 K CA -0.180 56.130 56.287 0.039 0.000 1.113 260 K CB 0.992 33.510 32.500 0.031 0.000 0.846 260 K HN 0.052 nan 8.250 nan 0.000 0.491 261 G N 1.034 109.870 108.800 0.061 0.000 2.565 261 G HA2 -0.159 3.801 3.960 0.000 0.000 0.156 261 G HA3 -0.159 3.801 3.960 0.000 0.000 0.156 261 G C 0.022 174.953 174.900 0.052 0.000 1.074 261 G CA -0.621 44.504 45.100 0.040 0.000 0.804 261 G HN 0.397 nan 8.290 nan 0.000 0.496 262 W N 0.507 121.767 121.300 -0.068 0.000 2.317 262 W HA -0.133 4.527 4.660 0.000 0.000 0.318 262 W C 2.020 178.465 176.519 -0.124 0.000 1.227 262 W CA 2.523 59.817 57.345 -0.085 0.000 1.269 262 W CB 0.069 29.474 29.460 -0.093 0.000 1.155 262 W HN 0.544 nan 8.180 nan 0.000 0.484 263 E N -0.753 119.387 120.200 -0.100 0.000 2.077 263 E HA -0.155 4.195 4.350 0.000 0.000 0.193 263 E C 2.410 178.770 176.600 -0.401 0.000 0.989 263 E CA 1.810 57.990 56.400 -0.368 0.000 0.800 263 E CB -0.888 28.724 29.700 -0.146 0.000 0.746 263 E HN 0.317 nan 8.360 nan 0.000 0.452 264 G N 0.984 109.641 108.800 -0.238 0.000 2.418 264 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 264 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 264 G C 1.574 176.334 174.900 -0.232 0.000 1.158 264 G CA 0.983 45.965 45.100 -0.197 0.000 0.771 264 G HN 0.265 nan 8.290 nan 0.000 0.545 265 I N 0.250 120.660 120.570 -0.266 0.000 2.179 265 I HA -0.139 4.031 4.170 0.000 0.000 0.242 265 I C 2.711 178.626 176.117 -0.337 0.000 1.088 265 I CA 0.585 61.735 61.300 -0.251 0.000 1.357 265 I CB -0.203 37.673 38.000 -0.206 0.000 1.051 265 I HN 0.023 nan 8.210 nan 0.000 0.409 266 V N 0.548 120.109 119.914 -0.589 0.000 2.548 266 V HA -0.182 3.938 4.120 0.000 0.000 0.249 266 V C 2.506 178.354 176.094 -0.410 0.000 1.055 266 V CA 1.474 63.414 62.300 -0.600 0.000 1.065 266 V CB -0.736 30.422 31.823 -1.109 0.000 0.681 266 V HN 0.331 nan 8.190 nan 0.000 0.462 267 R N 0.382 120.645 120.500 -0.395 0.000 2.083 267 R HA -0.141 4.199 4.340 0.000 0.000 0.237 267 R C 2.484 178.686 176.300 -0.163 0.000 1.137 267 R CA 1.669 57.615 56.100 -0.256 0.000 0.951 267 R CB -0.875 29.288 30.300 -0.227 0.000 0.851 267 R HN 0.580 nan 8.270 nan 0.000 0.434 268 G N 0.395 109.100 108.800 -0.158 0.000 2.422 268 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 268 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 268 G C 1.223 176.071 174.900 -0.087 0.000 1.146 268 G CA 0.420 45.456 45.100 -0.106 0.000 0.769 268 G HN 0.354 nan 8.290 nan 0.000 0.547 269 Q N -0.457 119.279 119.800 -0.107 0.000 2.123 269 Q HA 0.135 4.475 4.340 0.000 0.000 0.199 269 Q C 2.633 178.611 176.000 -0.037 0.000 0.966 269 Q CA 0.593 56.355 55.803 -0.068 0.000 0.845 269 Q CB -0.159 28.534 28.738 -0.075 0.000 0.907 269 Q HN 0.436 nan 8.270 nan 0.000 0.439 270 L N 0.217 121.414 121.223 -0.043 0.000 2.093 270 L HA -0.173 4.167 4.340 0.000 0.000 0.208 270 L C 2.305 179.176 176.870 0.003 0.000 1.085 270 L CA 0.356 55.203 54.840 0.011 0.000 0.755 270 L CB -0.352 41.728 42.059 0.035 0.000 0.904 270 L HN 0.252 nan 8.230 nan 0.000 0.435 271 L N 0.408 121.617 121.223 -0.023 0.000 2.046 271 L HA -0.222 4.118 4.340 0.000 0.000 0.208 271 L C 2.427 179.288 176.870 -0.015 0.000 1.077 271 L CA 1.884 56.713 54.840 -0.019 0.000 0.747 271 L CB -0.444 41.596 42.059 -0.032 0.000 0.896 271 L HN 0.207 nan 8.230 nan 0.000 0.432 272 E N -0.576 119.613 120.200 -0.019 0.000 2.152 272 E HA -0.149 4.201 4.350 0.000 0.000 0.192 272 E C 1.995 178.590 176.600 -0.010 0.000 0.983 272 E CA 1.246 57.637 56.400 -0.015 0.000 0.818 272 E CB -0.306 29.383 29.700 -0.019 0.000 0.758 272 E HN 0.604 nan 8.360 nan 0.000 0.467 273 L N -0.977 120.243 121.223 -0.005 0.000 2.492 273 L HA 0.203 4.543 4.340 0.000 0.000 0.223 273 L C 1.349 178.214 176.870 -0.007 0.000 1.132 273 L CA 0.426 55.264 54.840 -0.005 0.000 0.850 273 L CB -0.183 41.876 42.059 0.000 0.000 0.966 273 L HN 0.416 nan 8.230 nan 0.000 0.454 274 G N 0.480 109.278 108.800 -0.003 0.000 2.160 274 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 274 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 274 G C 0.631 175.530 174.900 -0.002 0.000 1.022 274 G CA 0.373 45.470 45.100 -0.005 0.000 0.741 274 G HN 0.318 nan 8.290 nan 0.000 0.508 275 V N -2.574 117.349 119.914 0.014 0.000 3.578 275 V HA 0.468 4.588 4.120 0.000 0.000 0.290 275 V C 2.236 178.366 176.094 0.059 0.000 1.376 275 V CA 0.951 63.267 62.300 0.026 0.000 1.083 275 V CB -0.137 31.706 31.823 0.033 0.000 0.911 275 V HN 0.307 nan 8.190 nan 0.000 0.433 276 L N 1.863 123.118 121.223 0.054 0.000 2.191 276 L HA -0.103 4.237 4.340 0.000 0.000 0.212 276 L C 2.915 179.823 176.870 0.064 0.000 1.103 276 L CA 1.901 56.780 54.840 0.066 0.000 0.769 276 L CB -0.481 41.600 42.059 0.037 0.000 0.908 276 L HN 0.680 nan 8.230 nan 0.000 0.438 277 S N -0.124 115.602 115.700 0.043 0.000 2.387 277 S HA -0.108 4.362 4.470 0.000 0.000 0.226 277 S C 1.906 176.544 174.600 0.063 0.000 1.026 277 S CA 0.577 58.802 58.200 0.042 0.000 0.972 277 S CB -0.523 62.688 63.200 0.017 0.000 0.814 277 S HN 0.366 nan 8.310 nan 0.000 0.477 278 L N 0.119 121.375 121.223 0.055 0.000 2.083 278 L HA 0.012 4.352 4.340 0.000 0.000 0.209 278 L C 2.136 179.106 176.870 0.167 0.000 1.083 278 L CA 0.667 55.571 54.840 0.105 0.000 0.752 278 L CB -0.512 41.567 42.059 0.032 0.000 0.899 278 L HN 0.297 nan 8.230 nan 0.000 0.433 279 L N -0.970 120.332 121.223 0.133 0.000 2.492 279 L HA 0.080 4.420 4.340 0.000 0.000 0.223 279 L C 0.934 177.900 176.870 0.159 0.000 1.132 279 L CA 0.657 55.595 54.840 0.163 0.000 0.850 279 L CB -1.103 41.093 42.059 0.228 0.000 0.966 279 L HN 0.303 nan 8.230 nan 0.000 0.454 280 T N 0.000 114.629 114.554 0.126 0.000 3.816 280 T HA 0.000 4.350 4.350 0.000 0.000 0.228 280 T CA 0.000 62.163 62.100 0.104 0.000 1.349 280 T CB 0.000 68.933 68.868 0.109 0.000 0.612 280 T HN 0.000 nan 8.240 nan 0.000 0.658