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 3f0r_1_C DATA FIRST_RESID 13 DATA SEQUENCE SLVPVYIYSP EYVSMCDSLA KIPKRASMVH SLIEAYALHK QMRIVKPKVA DATA SEQUENCE SMEEMATFHT DAYLQHLQKV SQEXXXXXXX XXXYGLGYDC PATEGIFDYA DATA SEQUENCE AAIGGATITA AQCLIDGMCK VAINWSGGWH HAKKDEASGF CYLNDAVLGI DATA SEQUENCE LRLRRKFERI LYVDLDLHHG DGVEDAFSFT SKVMTVSLHK FSPGFFPGTG DATA SEQUENCE DVSDVGLGKG RYYSVNVPIQ DGIQDEKYYQ ICESVLKEVY QAFNPKAVVL DATA SEQUENCE QLGADTIAGD PMCSFNMTPV GIGKCLKYIL QWQLATLILG GGGYNLANTA DATA SEQUENCE RCWTYLTGVI LGKTLSSEIP DHEFFTAYGP DYVLEITPSC RPDRNEPHRI DATA SEQUENCE QQILNYIKGN LKHVV 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.609 174.600 0.015 0.000 1.055 13 S CA 0.000 58.211 58.200 0.018 0.000 1.107 13 S CB 0.000 63.210 63.200 0.017 0.000 0.593 14 L N 0.445 121.675 121.223 0.011 0.000 2.688 14 L HA 0.540 4.879 4.340 -0.001 0.000 0.216 14 L C 0.821 177.694 176.870 0.005 0.000 1.036 14 L CA 0.441 55.285 54.840 0.006 0.000 0.906 14 L CB 0.340 42.401 42.059 0.003 0.000 1.501 14 L HN 0.539 nan 8.230 nan 0.000 0.489 15 V N 5.408 125.327 119.914 0.008 0.000 2.452 15 V HA 0.091 4.211 4.120 -0.001 0.000 0.286 15 V C -1.877 174.227 176.094 0.017 0.000 0.995 15 V CA -1.099 61.208 62.300 0.012 0.000 1.116 15 V CB 0.071 31.904 31.823 0.017 0.000 0.954 15 V HN 0.019 nan 8.190 nan 0.000 0.473 16 P HA 0.140 nan 4.420 nan 0.000 0.275 16 P C -0.391 176.936 177.300 0.044 0.000 1.227 16 P CA -0.062 63.047 63.100 0.015 0.000 0.781 16 P CB 1.200 32.899 31.700 -0.001 0.000 0.906 17 V N 4.310 124.248 119.914 0.039 0.000 2.530 17 V HA 0.014 4.133 4.120 -0.001 0.000 0.282 17 V C -0.039 176.122 176.094 0.112 0.000 1.048 17 V CA 0.131 62.469 62.300 0.064 0.000 0.997 17 V CB -0.172 31.664 31.823 0.022 0.000 0.987 17 V HN 0.486 nan 8.190 nan 0.000 0.477 18 Y N 6.061 126.366 120.300 0.009 0.000 2.464 18 Y HA 0.481 5.030 4.550 -0.001 0.000 0.326 18 Y C -0.028 175.911 175.900 0.064 0.000 0.969 18 Y CA -1.592 56.523 58.100 0.024 0.000 1.270 18 Y CB 0.680 39.196 38.460 0.094 0.000 1.103 18 Y HN 0.462 nan 8.280 nan 0.000 0.491 19 I N 8.035 128.430 120.570 -0.292 0.000 2.576 19 I HA -0.006 4.163 4.170 -0.001 0.000 0.288 19 I C -0.508 175.383 176.117 -0.377 0.000 1.126 19 I CA 0.500 61.617 61.300 -0.305 0.000 1.362 19 I CB -1.452 36.384 38.000 -0.273 0.000 1.419 19 I HN 0.702 nan 8.210 nan 0.000 0.533 20 Y N 5.758 125.828 120.300 -0.383 0.000 2.604 20 Y HA 0.545 5.094 4.550 -0.001 0.000 0.331 20 Y C -1.082 174.753 175.900 -0.108 0.000 1.158 20 Y CA -1.004 56.942 58.100 -0.257 0.000 1.056 20 Y CB 1.655 39.860 38.460 -0.426 0.000 1.330 20 Y HN 0.567 nan 8.280 nan 0.000 0.457 21 S N 4.781 119.661 115.700 -1.366 0.000 2.542 21 S HA 0.445 4.915 4.470 -0.001 0.000 0.276 21 S C -2.938 170.970 174.600 -1.152 0.000 1.148 21 S CA -0.983 56.577 58.200 -1.067 0.000 0.886 21 S CB 2.454 65.414 63.200 -0.400 0.000 1.109 21 S HN 0.442 nan 8.310 nan 0.000 0.458 22 P HA -0.126 nan 4.420 nan 0.000 0.216 22 P C 0.879 178.121 177.300 -0.097 0.000 1.150 22 P CA 1.520 64.497 63.100 -0.205 0.000 0.837 22 P CB 0.020 31.723 31.700 0.004 0.000 0.786 23 E N -0.891 119.253 120.200 -0.093 0.000 2.077 23 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 23 E C 2.217 178.824 176.600 0.012 0.000 0.989 23 E CA 0.958 57.345 56.400 -0.022 0.000 0.800 23 E CB -1.092 28.597 29.700 -0.019 0.000 0.746 23 E HN 0.253 nan 8.360 nan 0.000 0.452 24 Y N 1.163 121.366 120.300 -0.161 0.000 2.145 24 Y HA -0.230 4.320 4.550 -0.001 0.000 0.286 24 Y C 2.118 177.996 175.900 -0.036 0.000 1.145 24 Y CA 1.040 59.066 58.100 -0.123 0.000 1.148 24 Y CB -0.537 37.806 38.460 -0.195 0.000 0.981 24 Y HN -0.136 nan 8.280 nan 0.000 0.507 25 V N -0.507 119.310 119.914 -0.162 0.000 2.295 25 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 25 V C 2.730 178.802 176.094 -0.036 0.000 1.049 25 V CA 2.188 64.427 62.300 -0.101 0.000 1.024 25 V CB -1.113 30.795 31.823 0.142 0.000 0.648 25 V HN 0.570 nan 8.190 nan 0.000 0.447 26 S N -0.606 115.101 115.700 0.011 0.000 2.383 26 S HA -0.290 4.180 4.470 -0.001 0.000 0.229 26 S C 1.970 176.589 174.600 0.032 0.000 1.030 26 S CA 2.307 60.532 58.200 0.043 0.000 1.002 26 S CB -0.349 62.879 63.200 0.048 0.000 0.829 26 S HN 0.475 nan 8.310 nan 0.000 0.467 27 M N 0.925 120.531 119.600 0.010 0.000 2.254 27 M HA 0.095 4.574 4.480 -0.001 0.000 0.265 27 M C 1.972 178.343 176.300 0.120 0.000 1.066 27 M CA 1.419 56.750 55.300 0.052 0.000 1.123 27 M CB -0.877 31.757 32.600 0.057 0.000 1.388 27 M HN 0.484 nan 8.290 nan 0.000 0.425 28 C N 0.666 119.978 119.300 0.019 0.000 2.481 28 C HA 0.036 4.495 4.460 -0.001 0.000 0.275 28 C C 1.158 176.241 174.990 0.156 0.000 1.419 28 C CA 0.333 59.453 59.018 0.170 0.000 1.773 28 C CB -1.082 26.626 27.740 -0.054 0.000 1.862 28 C HN 0.482 nan 8.230 nan 0.000 0.530 29 D N 0.683 121.128 120.400 0.076 0.000 2.491 29 D HA 0.048 4.687 4.640 -0.001 0.000 0.228 29 D C 1.134 177.456 176.300 0.036 0.000 1.183 29 D CA 0.329 54.363 54.000 0.057 0.000 0.827 29 D CB 0.021 40.865 40.800 0.074 0.000 0.989 29 D HN 0.595 nan 8.370 nan 0.000 0.494 30 S N -0.533 115.181 115.700 0.024 0.000 2.601 30 S HA 0.274 4.743 4.470 -0.001 0.000 0.244 30 S C 0.429 174.996 174.600 -0.055 0.000 1.001 30 S CA -0.507 57.695 58.200 0.003 0.000 0.984 30 S CB 0.197 63.417 63.200 0.033 0.000 0.842 30 S HN 0.044 nan 8.310 nan 0.000 0.474 31 L N 1.283 122.438 121.223 -0.114 0.000 2.313 31 L HA 0.794 5.134 4.340 -0.001 0.000 0.268 31 L C 0.465 177.287 176.870 -0.081 0.000 1.010 31 L CA -1.288 53.460 54.840 -0.152 0.000 0.814 31 L CB 1.511 43.387 42.059 -0.306 0.000 1.304 31 L HN 0.235 nan 8.230 nan 0.000 0.441 32 A N 1.342 124.124 122.820 -0.063 0.000 2.477 32 A HA 0.244 4.563 4.320 -0.001 0.000 0.246 32 A C 0.917 178.493 177.584 -0.013 0.000 1.078 32 A CA 0.548 52.569 52.037 -0.028 0.000 0.770 32 A CB -0.076 18.912 19.000 -0.020 0.000 1.011 32 A HN 0.907 nan 8.150 nan 0.000 0.494 33 K N 0.285 120.685 120.400 0.001 0.000 3.495 33 K HA -0.257 4.062 4.320 -0.001 0.000 0.315 33 K C -0.134 176.474 176.600 0.014 0.000 1.301 33 K CA 2.013 58.307 56.287 0.013 0.000 0.985 33 K CB -2.545 29.969 32.500 0.023 0.000 1.244 33 K HN 1.205 nan 8.250 nan 0.000 0.433 34 I N 0.989 121.559 120.570 0.000 0.000 2.294 34 I HA 0.379 4.548 4.170 -0.001 0.000 0.295 34 I C -1.853 174.260 176.117 -0.006 0.000 1.098 34 I CA -2.053 59.243 61.300 -0.008 0.000 1.277 34 I CB 0.242 38.217 38.000 -0.042 0.000 1.434 34 I HN -0.056 nan 8.210 nan 0.000 0.498 35 P HA -0.125 nan 4.420 nan 0.000 0.265 35 P C -0.417 176.888 177.300 0.009 0.000 1.167 35 P CA 0.111 63.214 63.100 0.005 0.000 0.760 35 P CB 0.517 32.213 31.700 -0.007 0.000 0.783 36 K N 2.905 123.318 120.400 0.020 0.000 3.256 36 K HA -0.051 4.269 4.320 -0.001 0.000 0.285 36 K C 1.622 178.197 176.600 -0.042 0.000 1.086 36 K CA 0.109 56.412 56.287 0.026 0.000 1.125 36 K CB -0.334 32.218 32.500 0.088 0.000 1.292 36 K HN 0.470 nan 8.250 nan 0.000 0.312 37 R N 1.055 121.537 120.500 -0.029 0.000 2.081 37 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 37 R C 1.999 178.293 176.300 -0.009 0.000 1.131 37 R CA 1.490 57.554 56.100 -0.061 0.000 0.960 37 R CB -0.074 30.219 30.300 -0.011 0.000 0.856 37 R HN 0.376 nan 8.270 nan 0.000 0.436 38 A N 0.121 122.992 122.820 0.085 0.000 1.892 38 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 38 A C 2.207 179.866 177.584 0.125 0.000 1.188 38 A CA 2.198 54.320 52.037 0.143 0.000 0.631 38 A CB -0.996 18.068 19.000 0.106 0.000 0.822 38 A HN 0.492 nan 8.150 nan 0.000 0.447 39 S N -1.054 114.686 115.700 0.066 0.000 2.356 39 S HA -0.179 4.290 4.470 -0.001 0.000 0.223 39 S C 2.135 176.694 174.600 -0.068 0.000 1.032 39 S CA 1.790 60.055 58.200 0.108 0.000 1.005 39 S CB -0.451 62.858 63.200 0.181 0.000 0.867 39 S HN 0.533 nan 8.310 nan 0.000 0.449 40 M N 0.503 119.831 119.600 -0.453 0.000 2.073 40 M HA -0.124 4.355 4.480 -0.001 0.000 0.258 40 M C 2.159 178.359 176.300 -0.168 0.000 1.070 40 M CA 1.656 56.593 55.300 -0.606 0.000 1.103 40 M CB -0.778 31.440 32.600 -0.637 0.000 1.321 40 M HN 0.235 nan 8.290 nan 0.000 0.405 41 V N -0.334 119.549 119.914 -0.053 0.000 2.287 41 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 41 V C 2.332 178.495 176.094 0.115 0.000 1.053 41 V CA 2.530 64.862 62.300 0.054 0.000 1.027 41 V CB -1.073 30.874 31.823 0.206 0.000 0.646 41 V HN 0.524 nan 8.190 nan 0.000 0.447 42 H N 0.034 119.170 119.070 0.110 0.000 2.326 42 H HA -0.138 4.417 4.556 -0.001 0.000 0.301 42 H C 2.571 177.890 175.328 -0.014 0.000 1.081 42 H CA 2.008 58.116 56.048 0.101 0.000 1.334 42 H CB -0.413 29.399 29.762 0.083 0.000 1.385 42 H HN 0.339 nan 8.280 nan 0.000 0.504 43 S N -0.578 115.030 115.700 -0.154 0.000 2.368 43 S HA -0.192 4.278 4.470 -0.001 0.000 0.226 43 S C 2.205 176.624 174.600 -0.301 0.000 1.044 43 S CA 1.603 59.695 58.200 -0.179 0.000 1.062 43 S CB -0.700 62.583 63.200 0.138 0.000 0.931 43 S HN 0.410 nan 8.310 nan 0.000 0.440 44 L N 1.637 122.697 121.223 -0.271 0.000 2.017 44 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 44 L C 2.218 179.069 176.870 -0.032 0.000 1.073 44 L CA 1.793 56.488 54.840 -0.243 0.000 0.745 44 L CB -0.750 41.281 42.059 -0.047 0.000 0.894 44 L HN 0.463 nan 8.230 nan 0.000 0.432 45 I N -0.612 119.917 120.570 -0.069 0.000 2.264 45 I HA -0.326 3.844 4.170 -0.001 0.000 0.248 45 I C 2.507 178.609 176.117 -0.025 0.000 1.111 45 I CA 1.723 62.998 61.300 -0.041 0.000 1.382 45 I CB -0.367 37.587 38.000 -0.078 0.000 1.060 45 I HN 0.481 nan 8.210 nan 0.000 0.418 46 E N 1.251 121.315 120.200 -0.227 0.000 2.072 46 E HA -0.197 4.152 4.350 -0.001 0.000 0.190 46 E C 2.306 178.912 176.600 0.010 0.000 0.982 46 E CA 1.062 57.319 56.400 -0.238 0.000 0.803 46 E CB -0.008 29.336 29.700 -0.594 0.000 0.755 46 E HN 0.458 nan 8.360 nan 0.000 0.453 47 A N 0.119 122.915 122.820 -0.041 0.000 1.978 47 A HA -0.182 4.137 4.320 -0.001 0.000 0.220 47 A C 1.426 178.978 177.584 -0.053 0.000 1.170 47 A CA 1.257 53.279 52.037 -0.025 0.000 0.636 47 A CB -0.666 18.299 19.000 -0.057 0.000 0.810 47 A HN 0.442 nan 8.150 nan 0.000 0.448 48 Y N -1.373 118.923 120.300 -0.006 0.000 2.466 48 Y HA 0.412 4.961 4.550 -0.001 0.000 0.272 48 Y C 1.456 177.362 175.900 0.009 0.000 1.169 48 Y CA 0.010 58.112 58.100 0.003 0.000 1.285 48 Y CB -0.200 38.254 38.460 -0.011 0.000 1.078 48 Y HN 0.458 nan 8.280 nan 0.000 0.523 49 A N -0.197 122.724 122.820 0.169 0.000 2.687 49 A HA -0.249 4.071 4.320 -0.001 0.000 0.299 49 A C 0.891 178.459 177.584 -0.027 0.000 1.497 49 A CA 0.746 52.830 52.037 0.079 0.000 0.751 49 A CB -2.046 16.951 19.000 -0.004 0.000 1.048 49 A HN 0.403 nan 8.150 nan 0.000 0.464 50 L N 0.059 121.336 121.223 0.090 0.000 2.270 50 L HA -0.002 4.338 4.340 -0.001 0.000 0.210 50 L C 2.618 179.449 176.870 -0.066 0.000 1.104 50 L CA 2.162 56.999 54.840 -0.004 0.000 0.804 50 L CB -0.706 41.345 42.059 -0.013 0.000 0.937 50 L HN 0.840 nan 8.230 nan 0.000 0.450 51 H N -0.635 118.360 119.070 -0.124 0.000 2.456 51 H HA -0.088 4.467 4.556 -0.001 0.000 0.296 51 H C 1.447 176.780 175.328 0.008 0.000 1.079 51 H CA 0.906 56.902 56.048 -0.088 0.000 1.322 51 H CB -0.520 29.233 29.762 -0.014 0.000 1.388 51 H HN 0.291 nan 8.280 nan 0.000 0.538 52 K N 0.532 120.582 120.400 -0.582 0.000 2.519 52 K HA -0.085 4.234 4.320 -0.001 0.000 0.196 52 K C 0.941 177.460 176.600 -0.134 0.000 1.041 52 K CA 0.947 57.032 56.287 -0.338 0.000 0.954 52 K CB 0.135 32.425 32.500 -0.350 0.000 0.774 52 K HN 0.506 nan 8.250 nan 0.000 0.480 53 Q N -0.641 119.101 119.800 -0.097 0.000 2.139 53 Q HA 0.269 4.609 4.340 -0.001 0.000 0.219 53 Q C -0.217 175.776 176.000 -0.011 0.000 0.805 53 Q CA -0.135 55.641 55.803 -0.045 0.000 1.024 53 Q CB 0.854 29.564 28.738 -0.046 0.000 1.163 53 Q HN 0.134 nan 8.270 nan 0.000 0.485 54 M N -0.069 119.540 119.600 0.015 0.000 2.690 54 M HA 0.485 4.964 4.480 -0.001 0.000 0.302 54 M C -0.661 175.706 176.300 0.112 0.000 1.234 54 M CA -0.765 54.574 55.300 0.065 0.000 0.853 54 M CB 2.272 34.923 32.600 0.085 0.000 1.748 54 M HN -0.135 nan 8.290 nan 0.000 0.469 55 R N 1.662 122.234 120.500 0.120 0.000 2.296 55 R HA 0.466 4.805 4.340 -0.001 0.000 0.327 55 R C -0.808 175.593 176.300 0.168 0.000 1.137 55 R CA -0.253 55.919 56.100 0.118 0.000 1.020 55 R CB -0.397 29.948 30.300 0.075 0.000 1.110 55 R HN 0.560 nan 8.270 nan 0.000 0.499 56 I N 2.804 123.508 120.570 0.222 0.000 2.710 56 I HA 0.018 4.187 4.170 -0.001 0.000 0.286 56 I C 0.108 176.305 176.117 0.133 0.000 1.181 56 I CA 0.153 61.611 61.300 0.264 0.000 1.430 56 I CB 0.691 38.901 38.000 0.350 0.000 1.367 56 I HN 0.177 nan 8.210 nan 0.000 0.577 57 V N 6.089 126.040 119.914 0.062 0.000 2.610 57 V HA 0.181 4.300 4.120 -0.001 0.000 0.298 57 V C -0.236 175.807 176.094 -0.085 0.000 1.067 57 V CA -1.130 61.165 62.300 -0.009 0.000 0.894 57 V CB 1.618 33.426 31.823 -0.024 0.000 1.015 57 V HN 0.645 nan 8.190 nan 0.000 0.432 58 K N 4.933 125.276 120.400 -0.096 0.000 2.451 58 K HA 0.246 4.565 4.320 -0.001 0.000 0.280 58 K C -2.398 174.077 176.600 -0.209 0.000 1.020 58 K CA -1.014 55.171 56.287 -0.170 0.000 1.008 58 K CB 0.319 32.739 32.500 -0.133 0.000 0.917 58 K HN 0.377 nan 8.250 nan 0.000 0.478 59 P HA 0.009 nan 4.420 nan 0.000 0.271 59 P C -0.961 176.187 177.300 -0.253 0.000 1.233 59 P CA -0.113 62.751 63.100 -0.393 0.000 0.789 59 P CB 0.518 31.743 31.700 -0.791 0.000 0.951 60 K N 1.056 121.330 120.400 -0.209 0.000 2.473 60 K HA 0.288 4.607 4.320 -0.001 0.000 0.246 60 K C -0.895 175.631 176.600 -0.125 0.000 1.011 60 K CA -0.755 55.451 56.287 -0.134 0.000 0.984 60 K CB 0.828 33.270 32.500 -0.096 0.000 1.250 60 K HN 0.175 nan 8.250 nan 0.000 0.454 61 V N 2.984 122.829 119.914 -0.114 0.000 2.678 61 V HA -0.167 3.952 4.120 -0.001 0.000 0.304 61 V C 0.867 176.913 176.094 -0.080 0.000 1.086 61 V CA 0.301 62.540 62.300 -0.101 0.000 1.246 61 V CB 0.003 31.777 31.823 -0.081 0.000 0.861 61 V HN 0.821 nan 8.190 nan 0.000 0.491 62 A N 5.373 128.143 122.820 -0.083 0.000 2.466 62 A HA 0.466 4.785 4.320 -0.001 0.000 0.238 62 A C 0.760 178.332 177.584 -0.020 0.000 1.074 62 A CA 0.358 52.369 52.037 -0.044 0.000 0.774 62 A CB 0.157 19.140 19.000 -0.029 0.000 1.015 62 A HN 1.245 nan 8.150 nan 0.000 0.498 63 S N 1.526 117.236 115.700 0.016 0.000 2.616 63 S HA 0.383 4.852 4.470 -0.001 0.000 0.277 63 S C 0.887 175.535 174.600 0.080 0.000 1.234 63 S CA -0.059 58.167 58.200 0.043 0.000 1.028 63 S CB 0.926 64.148 63.200 0.037 0.000 0.988 63 S HN 0.718 nan 8.310 nan 0.000 0.522 64 M N 1.406 121.073 119.600 0.112 0.000 2.195 64 M HA -0.102 4.377 4.480 -0.001 0.000 0.260 64 M C 1.741 178.109 176.300 0.112 0.000 1.066 64 M CA 1.733 57.118 55.300 0.143 0.000 1.089 64 M CB -1.069 31.604 32.600 0.120 0.000 1.377 64 M HN 0.932 nan 8.290 nan 0.000 0.411 65 E N -0.561 119.688 120.200 0.083 0.000 2.031 65 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 65 E C 1.969 178.619 176.600 0.084 0.000 0.994 65 E CA 1.737 58.180 56.400 0.072 0.000 0.800 65 E CB -0.255 29.476 29.700 0.052 0.000 0.752 65 E HN 0.645 nan 8.360 nan 0.000 0.447 66 E N 0.424 120.671 120.200 0.080 0.000 2.077 66 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 66 E C 2.105 178.784 176.600 0.131 0.000 0.989 66 E CA 1.155 57.607 56.400 0.086 0.000 0.800 66 E CB -0.103 29.633 29.700 0.061 0.000 0.746 66 E HN 0.271 nan 8.360 nan 0.000 0.452 67 M N 0.364 120.057 119.600 0.155 0.000 2.296 67 M HA -0.062 4.417 4.480 -0.001 0.000 0.265 67 M C 2.305 178.777 176.300 0.287 0.000 1.064 67 M CA 1.052 56.499 55.300 0.246 0.000 1.109 67 M CB -0.070 32.664 32.600 0.225 0.000 1.396 67 M HN 0.075 nan 8.290 nan 0.000 0.430 68 A N -0.213 122.727 122.820 0.201 0.000 2.209 68 A HA -0.051 4.269 4.320 -0.001 0.000 0.212 68 A C 1.981 179.648 177.584 0.139 0.000 1.158 68 A CA 1.224 53.362 52.037 0.170 0.000 0.742 68 A CB -0.936 18.136 19.000 0.120 0.000 0.790 68 A HN 0.422 nan 8.150 nan 0.000 0.472 69 T N -1.433 113.211 114.554 0.151 0.000 2.977 69 T HA -0.081 4.268 4.350 -0.001 0.000 0.271 69 T C 1.142 175.947 174.700 0.176 0.000 1.105 69 T CA 1.752 63.933 62.100 0.135 0.000 1.116 69 T CB -0.241 68.704 68.868 0.128 0.000 0.878 69 T HN 0.657 nan 8.240 nan 0.000 0.509 70 F N -0.395 119.537 119.950 -0.030 0.000 2.675 70 F HA 0.301 4.828 4.527 -0.001 0.000 0.315 70 F C 0.287 175.976 175.800 -0.185 0.000 0.888 70 F CA -0.577 57.327 58.000 -0.160 0.000 1.100 70 F CB 0.596 39.431 39.000 -0.276 0.000 0.908 70 F HN 0.015 nan 8.300 nan 0.000 0.657 71 H N 2.223 121.275 119.070 -0.031 0.000 2.580 71 H HA 0.279 4.834 4.556 -0.001 0.000 0.322 71 H C 0.418 175.752 175.328 0.009 0.000 1.082 71 H CA 0.461 56.467 56.048 -0.070 0.000 1.383 71 H CB 1.052 30.936 29.762 0.203 0.000 1.450 71 H HN 0.158 nan 8.280 nan 0.000 0.505 72 T N -0.000 114.620 114.554 0.110 0.000 2.932 72 T HA -0.049 4.301 4.350 -0.001 0.000 0.312 72 T C 0.941 175.739 174.700 0.164 0.000 1.071 72 T CA -0.473 61.690 62.100 0.105 0.000 1.128 72 T CB 0.629 69.555 68.868 0.096 0.000 0.984 72 T HN 0.403 nan 8.240 nan 0.000 0.549 73 D N 1.738 122.203 120.400 0.108 0.000 2.219 73 D HA 0.044 4.683 4.640 -0.001 0.000 0.205 73 D C 2.266 178.612 176.300 0.077 0.000 0.970 73 D CA 1.449 55.500 54.000 0.085 0.000 0.851 73 D CB -0.377 40.455 40.800 0.054 0.000 0.943 73 D HN 0.763 nan 8.370 nan 0.000 0.488 74 A N 0.004 122.891 122.820 0.112 0.000 1.883 74 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 74 A C 2.109 179.761 177.584 0.115 0.000 1.186 74 A CA 1.319 53.436 52.037 0.134 0.000 0.624 74 A CB -1.051 18.070 19.000 0.202 0.000 0.822 74 A HN 0.401 nan 8.150 nan 0.000 0.444 75 Y N 0.313 120.624 120.300 0.018 0.000 2.200 75 Y HA -0.041 4.508 4.550 -0.001 0.000 0.290 75 Y C 1.902 177.757 175.900 -0.076 0.000 1.137 75 Y CA 1.508 59.543 58.100 -0.109 0.000 1.163 75 Y CB -0.289 38.192 38.460 0.036 0.000 0.988 75 Y HN 0.194 nan 8.280 nan 0.000 0.518 76 L N -0.150 121.035 121.223 -0.063 0.000 2.275 76 L HA -0.220 4.119 4.340 -0.001 0.000 0.215 76 L C 2.297 179.013 176.870 -0.256 0.000 1.119 76 L CA 1.292 56.058 54.840 -0.125 0.000 0.790 76 L CB -0.421 41.684 42.059 0.077 0.000 0.919 76 L HN 0.316 nan 8.230 nan 0.000 0.443 77 Q N -1.317 118.363 119.800 -0.200 0.000 2.137 77 Q HA -0.199 4.140 4.340 -0.001 0.000 0.198 77 Q C 2.038 177.870 176.000 -0.280 0.000 0.960 77 Q CA 1.096 56.758 55.803 -0.234 0.000 0.847 77 Q CB -0.022 28.644 28.738 -0.120 0.000 0.915 77 Q HN 0.476 nan 8.270 nan 0.000 0.448 78 H N 0.737 119.587 119.070 -0.367 0.000 2.353 78 H HA -0.074 4.482 4.556 -0.001 0.000 0.300 78 H C 1.793 176.875 175.328 -0.410 0.000 1.090 78 H CA 1.462 57.264 56.048 -0.410 0.000 1.327 78 H CB -0.065 29.296 29.762 -0.668 0.000 1.383 78 H HN 0.114 nan 8.280 nan 0.000 0.508 79 L N 0.095 121.026 121.223 -0.487 0.000 2.083 79 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 79 L C 2.488 179.140 176.870 -0.363 0.000 1.083 79 L CA 1.533 56.132 54.840 -0.402 0.000 0.752 79 L CB -0.482 41.407 42.059 -0.284 0.000 0.899 79 L HN 0.502 nan 8.230 nan 0.000 0.433 80 Q N -0.123 119.367 119.800 -0.518 0.000 2.170 80 Q HA -0.221 4.119 4.340 -0.001 0.000 0.203 80 Q C 2.135 177.917 176.000 -0.363 0.000 0.976 80 Q CA 1.337 56.796 55.803 -0.575 0.000 0.858 80 Q CB -0.015 28.269 28.738 -0.756 0.000 0.907 80 Q HN 0.524 nan 8.270 nan 0.000 0.433 81 K N 0.262 120.435 120.400 -0.379 0.000 2.007 81 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 81 K C 2.251 178.673 176.600 -0.298 0.000 1.047 81 K CA 1.433 57.529 56.287 -0.318 0.000 0.937 81 K CB -0.288 32.011 32.500 -0.334 0.000 0.718 81 K HN 0.161 nan 8.250 nan 0.000 0.438 82 V N -0.840 118.835 119.914 -0.398 0.000 2.594 82 V HA -0.207 3.913 4.120 -0.001 0.000 0.253 82 V C 2.115 178.091 176.094 -0.198 0.000 1.069 82 V CA 2.229 64.361 62.300 -0.281 0.000 1.082 82 V CB -0.344 31.308 31.823 -0.283 0.000 0.680 82 V HN 0.241 nan 8.190 nan 0.000 0.469 83 S N -0.512 115.066 115.700 -0.204 0.000 2.436 83 S HA -0.171 4.298 4.470 -0.001 0.000 0.228 83 S C 2.008 176.544 174.600 -0.106 0.000 1.014 83 S CA 1.458 59.574 58.200 -0.140 0.000 0.950 83 S CB -0.333 62.813 63.200 -0.089 0.000 0.784 83 S HN 0.681 nan 8.310 nan 0.000 0.504 84 Q N 0.862 120.589 119.800 -0.122 0.000 2.226 84 Q HA 0.211 4.551 4.340 -0.001 0.000 0.204 84 Q C 0.694 176.649 176.000 -0.074 0.000 0.975 84 Q CA 1.094 56.841 55.803 -0.093 0.000 0.866 84 Q CB 0.180 28.855 28.738 -0.105 0.000 0.915 84 Q HN 0.715 nan 8.270 nan 0.000 0.440 97 G N -0.149 108.782 108.800 0.219 0.000 2.391 97 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.204 97 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.204 97 G C -0.371 174.630 174.900 0.169 0.000 1.012 97 G CA -0.105 45.106 45.100 0.186 0.000 0.651 97 G HN 0.029 nan 8.290 nan 0.000 0.494 98 L N 1.998 123.353 121.223 0.219 0.000 2.410 98 L HA 0.598 4.938 4.340 -0.001 0.000 0.273 98 L C 1.224 178.161 176.870 0.112 0.000 1.152 98 L CA 1.739 56.687 54.840 0.181 0.000 0.855 98 L CB 0.114 42.313 42.059 0.234 0.000 1.129 98 L HN 0.724 nan 8.230 nan 0.000 0.463 99 G N 2.460 111.292 108.800 0.054 0.000 2.818 99 G HA2 0.004 3.964 3.960 -0.001 0.000 0.109 99 G HA3 0.004 3.964 3.960 -0.001 0.000 0.109 99 G C -0.113 174.814 174.900 0.045 0.000 1.206 99 G CA -0.039 45.096 45.100 0.058 0.000 1.243 99 G HN 0.344 nan 8.290 nan 0.000 0.609 100 Y N 1.972 122.213 120.300 -0.098 0.000 2.177 100 Y HA 0.094 4.643 4.550 -0.001 0.000 0.291 100 Y C 2.614 178.345 175.900 -0.282 0.000 1.117 100 Y CA 2.282 60.300 58.100 -0.137 0.000 1.114 100 Y CB -0.096 38.312 38.460 -0.086 0.000 1.017 100 Y HN 0.400 nan 8.280 nan 0.000 0.505 101 D N -0.876 119.296 120.400 -0.380 0.000 2.392 101 D HA -0.121 4.518 4.640 -0.001 0.000 0.228 101 D C -0.076 175.639 176.300 -0.975 0.000 1.003 101 D CA 0.614 54.216 54.000 -0.664 0.000 0.917 101 D CB -0.700 39.873 40.800 -0.379 0.000 0.890 101 D HN 0.150 nan 8.370 nan 0.000 0.532 102 C N 0.968 119.847 119.300 -0.701 0.000 3.102 102 C HA 0.351 4.810 4.460 -0.001 0.000 0.363 102 C C -2.680 172.133 174.990 -0.294 0.000 1.048 102 C CA -1.449 57.187 59.018 -0.638 0.000 1.330 102 C CB 0.522 28.052 27.740 -0.350 0.000 1.771 102 C HN -0.005 nan 8.230 nan 0.000 0.526 103 P HA 0.275 nan 4.420 nan 0.000 0.271 103 P C -0.527 176.869 177.300 0.160 0.000 1.238 103 P CA 0.331 63.423 63.100 -0.013 0.000 0.794 103 P CB 0.580 32.280 31.700 -0.000 0.000 0.959 104 A N -0.230 122.633 122.820 0.072 0.000 3.410 104 A HA 0.397 4.716 4.320 -0.001 0.000 0.276 104 A C 0.126 177.685 177.584 -0.041 0.000 0.995 104 A CA -0.142 51.911 52.037 0.027 0.000 0.934 104 A CB -0.285 18.745 19.000 0.051 0.000 1.191 104 A HN 0.422 nan 8.150 nan 0.000 0.511 105 T N -0.381 114.129 114.554 -0.073 0.000 2.880 105 T HA 0.404 4.754 4.350 -0.001 0.000 0.279 105 T C 0.355 174.985 174.700 -0.117 0.000 0.990 105 T CA -0.345 61.707 62.100 -0.080 0.000 0.938 105 T CB 0.560 69.388 68.868 -0.067 0.000 1.206 105 T HN 0.578 nan 8.240 nan 0.000 0.573 106 E N -0.519 119.628 120.200 -0.090 0.000 2.392 106 E HA 0.386 4.735 4.350 -0.001 0.000 0.256 106 E C 1.072 177.617 176.600 -0.091 0.000 1.145 106 E CA 0.469 56.819 56.400 -0.084 0.000 0.929 106 E CB 0.275 29.942 29.700 -0.055 0.000 0.998 106 E HN 0.978 nan 8.360 nan 0.000 0.442 107 G N 0.957 109.720 108.800 -0.062 0.000 2.189 107 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.267 107 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.267 107 G C 0.807 175.680 174.900 -0.045 0.000 0.975 107 G CA 0.521 45.603 45.100 -0.031 0.000 0.644 107 G HN 0.491 nan 8.290 nan 0.000 0.537 108 I N -0.008 120.472 120.570 -0.150 0.000 2.118 108 I HA -0.082 4.087 4.170 -0.001 0.000 0.241 108 I C 2.314 178.354 176.117 -0.128 0.000 1.070 108 I CA 2.476 63.591 61.300 -0.308 0.000 1.327 108 I CB -0.549 37.147 38.000 -0.507 0.000 1.034 108 I HN 0.352 nan 8.210 nan 0.000 0.405 109 F N 1.464 121.297 119.950 -0.195 0.000 2.084 109 F HA -0.231 4.296 4.527 -0.001 0.000 0.296 109 F C 2.380 178.147 175.800 -0.055 0.000 1.111 109 F CA 1.910 59.827 58.000 -0.139 0.000 1.224 109 F CB -0.613 38.295 39.000 -0.153 0.000 0.991 109 F HN 0.171 nan 8.300 nan 0.000 0.471 110 D N -0.711 119.662 120.400 -0.046 0.000 2.149 110 D HA -0.267 4.373 4.640 -0.001 0.000 0.198 110 D C 2.014 178.256 176.300 -0.097 0.000 0.990 110 D CA 1.688 55.623 54.000 -0.108 0.000 0.839 110 D CB -0.938 39.877 40.800 0.026 0.000 0.948 110 D HN 0.440 nan 8.370 nan 0.000 0.460 111 Y N 2.030 122.246 120.300 -0.140 0.000 2.089 111 Y HA -0.186 4.363 4.550 -0.001 0.000 0.282 111 Y C 2.437 178.290 175.900 -0.078 0.000 1.139 111 Y CA 1.865 59.911 58.100 -0.090 0.000 1.123 111 Y CB -0.662 37.743 38.460 -0.093 0.000 0.980 111 Y HN -0.045 nan 8.280 nan 0.000 0.493 112 A N 1.089 123.795 122.820 -0.189 0.000 1.873 112 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 112 A C 2.501 179.919 177.584 -0.276 0.000 1.193 112 A CA 2.769 54.672 52.037 -0.224 0.000 0.629 112 A CB -1.785 17.171 19.000 -0.074 0.000 0.826 112 A HN 0.748 nan 8.150 nan 0.000 0.447 113 A N -0.267 122.300 122.820 -0.422 0.000 1.903 113 A HA -0.005 4.314 4.320 -0.001 0.000 0.219 113 A C 2.560 180.022 177.584 -0.204 0.000 1.191 113 A CA 2.884 54.692 52.037 -0.382 0.000 0.638 113 A CB -1.250 17.407 19.000 -0.571 0.000 0.823 113 A HN 1.290 nan 8.150 nan 0.000 0.451 114 A N -0.067 122.656 122.820 -0.162 0.000 1.883 114 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 114 A C 2.052 179.652 177.584 0.026 0.000 1.186 114 A CA 1.805 53.825 52.037 -0.030 0.000 0.624 114 A CB -0.565 18.493 19.000 0.097 0.000 0.822 114 A HN 0.451 nan 8.150 nan 0.000 0.444 115 I N -0.003 120.566 120.570 -0.002 0.000 2.113 115 I HA -0.198 3.971 4.170 -0.001 0.000 0.238 115 I C 2.804 178.934 176.117 0.022 0.000 1.070 115 I CA 1.688 63.033 61.300 0.075 0.000 1.332 115 I CB -2.188 35.797 38.000 -0.026 0.000 1.044 115 I HN 0.348 nan 8.210 nan 0.000 0.402 116 G N 0.661 109.461 108.800 0.000 0.000 2.469 116 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.220 116 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.220 116 G C 1.732 176.619 174.900 -0.021 0.000 1.136 116 G CA 1.102 46.218 45.100 0.026 0.000 0.759 116 G HN 0.521 nan 8.290 nan 0.000 0.562 117 G N 1.112 109.869 108.800 -0.071 0.000 2.453 117 G HA2 0.040 4.000 3.960 -0.001 0.000 0.215 117 G HA3 0.040 4.000 3.960 -0.001 0.000 0.215 117 G C 2.112 176.919 174.900 -0.154 0.000 1.201 117 G CA 1.614 46.651 45.100 -0.105 0.000 0.784 117 G HN 0.665 nan 8.290 nan 0.000 0.545 118 A N 0.149 122.818 122.820 -0.252 0.000 1.917 118 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 118 A C 2.526 179.995 177.584 -0.192 0.000 1.182 118 A CA 2.674 54.498 52.037 -0.355 0.000 0.633 118 A CB -1.075 17.535 19.000 -0.649 0.000 0.819 118 A HN 0.330 nan 8.150 nan 0.000 0.448 119 T N 0.094 114.586 114.554 -0.104 0.000 2.777 119 T HA -0.067 4.282 4.350 -0.001 0.000 0.266 119 T C 1.811 176.477 174.700 -0.057 0.000 1.040 119 T CA 1.383 63.444 62.100 -0.065 0.000 1.141 119 T CB -0.378 68.480 68.868 -0.016 0.000 0.868 119 T HN 0.423 nan 8.240 nan 0.000 0.444 120 I N 1.385 121.927 120.570 -0.046 0.000 2.127 120 I HA -0.232 3.938 4.170 -0.001 0.000 0.241 120 I C 3.019 179.111 176.117 -0.042 0.000 1.075 120 I CA 1.757 63.040 61.300 -0.028 0.000 1.334 120 I CB -0.635 37.354 38.000 -0.018 0.000 1.040 120 I HN 0.361 nan 8.210 nan 0.000 0.405 121 T N 0.012 114.522 114.554 -0.074 0.000 2.881 121 T HA -0.142 4.207 4.350 -0.001 0.000 0.270 121 T C 1.869 176.529 174.700 -0.067 0.000 1.068 121 T CA 1.333 63.388 62.100 -0.075 0.000 1.131 121 T CB -0.184 68.618 68.868 -0.111 0.000 0.871 121 T HN 0.382 nan 8.240 nan 0.000 0.479 122 A N 1.168 123.940 122.820 -0.081 0.000 1.930 122 A HA 0.360 4.680 4.320 -0.001 0.000 0.217 122 A C 2.833 180.396 177.584 -0.034 0.000 1.175 122 A CA 1.817 53.810 52.037 -0.073 0.000 0.627 122 A CB -1.364 17.575 19.000 -0.101 0.000 0.815 122 A HN 0.792 nan 8.150 nan 0.000 0.443 123 A N -1.367 121.442 122.820 -0.018 0.000 1.930 123 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 123 A C 2.141 179.751 177.584 0.043 0.000 1.175 123 A CA 1.528 53.579 52.037 0.022 0.000 0.627 123 A CB -0.446 18.570 19.000 0.028 0.000 0.815 123 A HN 0.469 nan 8.150 nan 0.000 0.443 124 Q N -0.357 119.453 119.800 0.016 0.000 2.061 124 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 124 Q C 2.423 178.436 176.000 0.022 0.000 0.984 124 Q CA 1.812 57.623 55.803 0.015 0.000 0.846 124 Q CB -0.857 27.878 28.738 -0.006 0.000 0.902 124 Q HN 0.739 nan 8.270 nan 0.000 0.421 125 C N 0.397 119.704 119.300 0.010 0.000 2.413 125 C HA -0.145 4.315 4.460 -0.001 0.000 0.276 125 C C 2.862 177.879 174.990 0.045 0.000 1.248 125 C CA 0.570 59.597 59.018 0.015 0.000 1.742 125 C CB -1.260 26.479 27.740 -0.002 0.000 2.017 125 C HN 0.439 nan 8.230 nan 0.000 0.481 126 L N 0.114 121.377 121.223 0.065 0.000 2.141 126 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 126 L C 2.366 179.372 176.870 0.227 0.000 1.094 126 L CA 1.359 56.274 54.840 0.126 0.000 0.763 126 L CB -0.474 41.649 42.059 0.108 0.000 0.908 126 L HN 0.372 nan 8.230 nan 0.000 0.437 127 I N -0.246 120.428 120.570 0.173 0.000 2.286 127 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 127 I C 1.690 177.821 176.117 0.022 0.000 1.104 127 I CA 1.092 62.444 61.300 0.086 0.000 1.397 127 I CB -0.361 37.651 38.000 0.021 0.000 1.072 127 I HN 0.236 nan 8.210 nan 0.000 0.417 128 D N 0.962 121.379 120.400 0.028 0.000 2.392 128 D HA -0.043 4.596 4.640 -0.001 0.000 0.228 128 D C 1.750 178.064 176.300 0.023 0.000 1.003 128 D CA 1.171 55.179 54.000 0.012 0.000 0.917 128 D CB -0.037 40.769 40.800 0.010 0.000 0.890 128 D HN 0.528 nan 8.370 nan 0.000 0.532 129 G N 1.229 110.060 108.800 0.051 0.000 2.184 129 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.264 129 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.264 129 G C 0.947 175.873 174.900 0.044 0.000 0.975 129 G CA 0.647 45.781 45.100 0.056 0.000 0.642 129 G HN 0.387 nan 8.290 nan 0.000 0.536 130 M N 0.036 119.658 119.600 0.036 0.000 2.260 130 M HA 0.048 4.527 4.480 -0.001 0.000 0.261 130 M C 1.476 177.794 176.300 0.029 0.000 1.066 130 M CA 2.429 57.745 55.300 0.028 0.000 1.082 130 M CB -0.272 32.341 32.600 0.022 0.000 1.388 130 M HN 1.053 nan 8.290 nan 0.000 0.419 131 C N -3.497 115.823 119.300 0.034 0.000 3.266 131 C HA 0.478 4.937 4.460 -0.001 0.000 0.369 131 C C 0.522 175.530 174.990 0.031 0.000 1.580 131 C CA -1.094 57.940 59.018 0.027 0.000 1.165 131 C CB 1.226 28.976 27.740 0.018 0.000 1.835 131 C HN 0.166 nan 8.230 nan 0.000 0.433 132 K N -0.361 120.048 120.400 0.015 0.000 2.425 132 K HA 0.442 4.761 4.320 -0.001 0.000 0.201 132 K C -0.485 176.104 176.600 -0.017 0.000 1.128 132 K CA 0.627 56.918 56.287 0.007 0.000 1.000 132 K CB 1.172 33.677 32.500 0.007 0.000 0.961 132 K HN 0.638 nan 8.250 nan 0.000 0.555 133 V N 1.021 120.922 119.914 -0.022 0.000 2.668 133 V HA 0.549 4.668 4.120 -0.001 0.000 0.304 133 V C -1.140 174.923 176.094 -0.051 0.000 1.071 133 V CA -1.260 61.012 62.300 -0.046 0.000 0.894 133 V CB 1.746 33.539 31.823 -0.050 0.000 1.008 133 V HN 0.110 nan 8.190 nan 0.000 0.425 134 A N 5.746 128.519 122.820 -0.079 0.000 2.331 134 A HA 0.954 5.273 4.320 -0.001 0.000 0.320 134 A C -0.918 176.563 177.584 -0.172 0.000 1.138 134 A CA -0.521 51.462 52.037 -0.091 0.000 0.790 134 A CB 0.980 19.936 19.000 -0.074 0.000 1.206 134 A HN 0.775 nan 8.150 nan 0.000 0.470 135 I N 2.022 122.475 120.570 -0.196 0.000 2.433 135 I HA 0.367 4.536 4.170 -0.001 0.000 0.292 135 I C -0.373 175.509 176.117 -0.390 0.000 1.001 135 I CA -0.550 60.515 61.300 -0.391 0.000 1.119 135 I CB 2.189 39.928 38.000 -0.435 0.000 1.289 135 I HN 0.708 nan 8.210 nan 0.000 0.438 136 N N 5.027 123.443 118.700 -0.473 0.000 2.707 136 N HA 0.225 4.964 4.740 -0.001 0.000 0.249 136 N C -0.045 175.307 175.510 -0.265 0.000 1.299 136 N CA -0.604 52.285 53.050 -0.269 0.000 0.769 136 N CB 0.488 38.887 38.487 -0.147 0.000 1.236 136 N HN 0.570 nan 8.380 nan 0.000 0.524 137 W N 1.322 122.544 121.300 -0.129 0.000 2.364 137 W HA -0.097 4.563 4.660 -0.001 0.000 0.281 137 W C 1.685 178.019 176.519 -0.308 0.000 1.219 137 W CA 0.360 57.459 57.345 -0.410 0.000 1.220 137 W CB 0.220 29.533 29.460 -0.246 0.000 1.127 137 W HN 0.406 nan 8.180 nan 0.000 0.556 138 S N -0.333 115.491 115.700 0.208 0.000 2.561 138 S HA 0.090 4.559 4.470 -0.001 0.000 0.225 138 S C 1.305 176.107 174.600 0.335 0.000 0.977 138 S CA 0.515 58.889 58.200 0.290 0.000 0.926 138 S CB -0.475 62.838 63.200 0.188 0.000 0.769 138 S HN 0.266 nan 8.310 nan 0.000 0.533 139 G N 0.080 108.946 108.800 0.111 0.000 2.531 139 G HA2 0.463 4.423 3.960 -0.001 0.000 0.253 139 G HA3 0.463 4.423 3.960 -0.001 0.000 0.253 139 G C 0.780 175.489 174.900 -0.319 0.000 1.439 139 G CA -0.047 45.080 45.100 0.046 0.000 1.056 139 G HN 0.723 nan 8.290 nan 0.000 0.555 140 G N -2.529 106.100 108.800 -0.286 0.000 2.137 140 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.237 140 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.237 140 G C 0.055 174.559 174.900 -0.659 0.000 1.002 140 G CA 0.268 45.103 45.100 -0.441 0.000 0.702 140 G HN 0.544 nan 8.290 nan 0.000 0.515 141 W N 1.864 123.188 121.300 0.040 0.000 1.864 141 W HA 0.482 5.141 4.660 -0.001 0.000 0.425 141 W C 1.562 178.185 176.519 0.173 0.000 0.791 141 W CA -0.262 57.147 57.345 0.106 0.000 1.650 141 W CB -0.648 28.915 29.460 0.172 0.000 1.791 141 W HN 0.565 nan 8.180 nan 0.000 0.266 142 H N -1.438 117.643 119.070 0.017 0.000 2.574 142 H HA 0.026 4.582 4.556 -0.001 0.000 0.277 142 H C 0.759 176.027 175.328 -0.101 0.000 1.058 142 H CA 0.273 56.282 56.048 -0.065 0.000 1.171 142 H CB 0.163 29.872 29.762 -0.087 0.000 1.304 142 H HN 0.422 nan 8.280 nan 0.000 0.620 143 H N 0.585 119.894 119.070 0.398 0.000 2.681 143 H HA 0.343 4.899 4.556 -0.001 0.000 0.268 143 H C 1.331 176.795 175.328 0.225 0.000 0.967 143 H CA 0.408 56.604 56.048 0.247 0.000 1.233 143 H CB 0.223 30.202 29.762 0.362 0.000 1.445 143 H HN 0.499 nan 8.280 nan 0.000 0.494 144 A N 2.339 125.403 122.820 0.407 0.000 2.547 144 A HA 0.161 4.481 4.320 -0.001 0.000 0.233 144 A C 0.485 178.282 177.584 0.356 0.000 1.067 144 A CA 0.389 52.653 52.037 0.379 0.000 0.763 144 A CB 0.418 19.718 19.000 0.500 0.000 1.007 144 A HN 0.087 nan 8.150 nan 0.000 0.506 145 K N 0.325 120.866 120.400 0.235 0.000 2.346 145 K HA 0.260 4.579 4.320 -0.001 0.000 0.238 145 K C 1.144 177.633 176.600 -0.184 0.000 1.039 145 K CA -0.384 55.973 56.287 0.117 0.000 0.861 145 K CB 1.306 33.808 32.500 0.003 0.000 1.278 145 K HN 0.752 nan 8.250 nan 0.000 0.460 146 K N 0.212 120.242 120.400 -0.617 0.000 2.077 146 K HA -0.234 4.086 4.320 -0.001 0.000 0.213 146 K C 0.282 176.650 176.600 -0.386 0.000 1.051 146 K CA 2.529 58.214 56.287 -1.003 0.000 0.929 146 K CB -0.211 31.869 32.500 -0.700 0.000 0.715 146 K HN 0.594 nan 8.250 nan 0.000 0.451 147 D N -0.658 119.546 120.400 -0.326 0.000 2.819 147 D HA 0.218 4.857 4.640 -0.001 0.000 0.326 147 D C -0.930 175.075 176.300 -0.491 0.000 1.408 147 D CA -0.525 53.287 54.000 -0.314 0.000 0.811 147 D CB 0.370 41.202 40.800 0.053 0.000 1.148 147 D HN 0.456 nan 8.370 nan 0.000 0.457 148 E N -0.062 119.710 120.200 -0.714 0.000 2.352 148 E HA 0.624 4.974 4.350 -0.001 0.000 0.280 148 E C -1.422 175.079 176.600 -0.165 0.000 0.930 148 E CA -1.019 55.192 56.400 -0.315 0.000 0.765 148 E CB 2.090 31.744 29.700 -0.076 0.000 1.219 148 E HN 0.134 nan 8.360 nan 0.000 0.434 149 A N 1.960 124.857 122.820 0.128 0.000 2.286 149 A HA 0.740 5.060 4.320 -0.001 0.000 0.286 149 A C -0.505 177.162 177.584 0.137 0.000 1.097 149 A CA -0.170 51.999 52.037 0.219 0.000 0.821 149 A CB 1.516 20.709 19.000 0.321 0.000 1.076 149 A HN 0.356 nan 8.150 nan 0.000 0.490 150 S N -0.573 115.206 115.700 0.132 0.000 2.560 150 S HA 0.493 4.962 4.470 -0.001 0.000 0.283 150 S C 0.089 174.791 174.600 0.171 0.000 1.141 150 S CA 0.475 58.769 58.200 0.157 0.000 0.902 150 S CB 0.671 64.001 63.200 0.216 0.000 1.104 150 S HN 2.643 nan 8.310 nan 0.000 0.454 151 G N 2.792 111.602 108.800 0.018 0.000 2.412 151 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.297 151 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.297 151 G C 0.414 175.475 174.900 0.268 0.000 0.965 151 G CA 0.798 45.828 45.100 -0.118 0.000 1.134 151 G HN 1.522 nan 8.290 nan 0.000 0.511 152 F N -4.032 115.809 119.950 -0.180 0.000 2.840 152 F HA -0.260 4.267 4.527 -0.001 0.000 0.310 152 F C 1.365 176.908 175.800 -0.428 0.000 0.688 152 F CA 0.497 58.295 58.000 -0.336 0.000 1.286 152 F CB -2.016 36.852 39.000 -0.219 0.000 1.612 152 F HN 0.544 nan 8.300 nan 0.000 0.335 153 C N 0.631 119.904 119.300 -0.045 0.000 2.271 153 C HA 0.482 4.941 4.460 -0.001 0.000 0.323 153 C C 1.455 176.448 174.990 0.005 0.000 1.245 153 C CA -0.577 58.501 59.018 0.100 0.000 1.548 153 C CB -0.469 27.553 27.740 0.470 0.000 2.214 153 C HN 0.350 nan 8.230 nan 0.000 0.477 154 Y N 1.476 121.923 120.300 0.246 0.000 2.436 154 Y HA 0.342 4.891 4.550 -0.001 0.000 0.288 154 Y C 0.712 176.774 175.900 0.269 0.000 1.112 154 Y CA 0.254 58.508 58.100 0.256 0.000 1.220 154 Y CB 0.077 38.639 38.460 0.171 0.000 1.073 154 Y HN 0.503 nan 8.280 nan 0.000 0.552 155 L N 0.875 122.326 121.223 0.380 0.000 2.441 155 L HA 0.364 4.704 4.340 -0.001 0.000 0.270 155 L C -0.739 176.417 176.870 0.476 0.000 0.973 155 L CA -0.541 54.499 54.840 0.334 0.000 0.842 155 L CB 1.083 43.253 42.059 0.186 0.000 1.239 155 L HN -0.075 nan 8.230 nan 0.000 0.406 156 N N 3.541 122.630 118.700 0.648 0.000 2.421 156 N HA -0.023 4.716 4.740 -0.001 0.000 0.260 156 N C 0.529 176.202 175.510 0.272 0.000 1.173 156 N CA 0.157 53.455 53.050 0.413 0.000 0.960 156 N CB 0.659 39.332 38.487 0.311 0.000 1.273 156 N HN 0.734 nan 8.380 nan 0.000 0.497 157 D N 2.943 123.485 120.400 0.236 0.000 2.183 157 D HA -0.146 4.493 4.640 -0.001 0.000 0.203 157 D C 1.415 177.739 176.300 0.040 0.000 0.969 157 D CA 0.561 54.646 54.000 0.142 0.000 0.842 157 D CB -0.297 40.590 40.800 0.146 0.000 0.957 157 D HN 0.406 nan 8.370 nan 0.000 0.484 158 A N 1.454 124.277 122.820 0.005 0.000 1.884 158 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 158 A C 2.674 180.170 177.584 -0.147 0.000 1.197 158 A CA 2.247 54.229 52.037 -0.092 0.000 0.637 158 A CB -1.083 17.809 19.000 -0.179 0.000 0.827 158 A HN 0.199 nan 8.150 nan 0.000 0.450 159 V N 0.198 119.999 119.914 -0.188 0.000 2.287 159 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 159 V C 2.590 178.618 176.094 -0.110 0.000 1.053 159 V CA 2.010 64.177 62.300 -0.222 0.000 1.027 159 V CB -0.808 30.541 31.823 -0.790 0.000 0.646 159 V HN 0.574 nan 8.190 nan 0.000 0.447 160 L N 0.303 121.485 121.223 -0.068 0.000 2.012 160 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 160 L C 2.708 179.591 176.870 0.023 0.000 1.073 160 L CA 1.963 56.816 54.840 0.020 0.000 0.748 160 L CB -1.393 40.714 42.059 0.080 0.000 0.891 160 L HN 0.486 nan 8.230 nan 0.000 0.431 161 G N 0.287 109.090 108.800 0.004 0.000 2.442 161 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 161 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 161 G C 1.601 176.506 174.900 0.007 0.000 1.141 161 G CA 0.682 45.783 45.100 0.002 0.000 0.763 161 G HN 0.263 nan 8.290 nan 0.000 0.554 162 I N 0.373 120.934 120.570 -0.014 0.000 2.142 162 I HA -0.135 4.035 4.170 -0.001 0.000 0.240 162 I C 2.706 178.843 176.117 0.034 0.000 1.078 162 I CA 0.753 62.033 61.300 -0.032 0.000 1.343 162 I CB -0.282 37.623 38.000 -0.159 0.000 1.046 162 I HN 0.114 nan 8.210 nan 0.000 0.405 163 L N 0.222 121.502 121.223 0.095 0.000 2.129 163 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 163 L C 2.697 179.616 176.870 0.082 0.000 1.087 163 L CA 1.097 56.009 54.840 0.121 0.000 0.757 163 L CB -0.591 41.538 42.059 0.118 0.000 0.896 163 L HN 0.238 nan 8.230 nan 0.000 0.434 164 R N 0.637 121.176 120.500 0.064 0.000 2.073 164 R HA -0.063 4.276 4.340 -0.001 0.000 0.229 164 R C 2.134 178.477 176.300 0.071 0.000 1.120 164 R CA 1.350 57.483 56.100 0.056 0.000 0.967 164 R CB -0.551 29.775 30.300 0.042 0.000 0.862 164 R HN 0.232 nan 8.270 nan 0.000 0.436 165 L N 0.081 121.363 121.223 0.099 0.000 2.017 165 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 165 L C 2.465 179.440 176.870 0.174 0.000 1.073 165 L CA 1.578 56.533 54.840 0.192 0.000 0.745 165 L CB -0.481 41.708 42.059 0.216 0.000 0.894 165 L HN 0.171 nan 8.230 nan 0.000 0.432 166 R N 0.120 120.693 120.500 0.122 0.000 2.244 166 R HA -0.206 4.133 4.340 -0.001 0.000 0.252 166 R C 2.300 178.624 176.300 0.039 0.000 1.177 166 R CA 1.202 57.357 56.100 0.092 0.000 1.004 166 R CB -0.347 30.002 30.300 0.082 0.000 0.873 166 R HN 0.436 nan 8.270 nan 0.000 0.469 167 R N -0.031 120.481 120.500 0.020 0.000 2.152 167 R HA -0.136 4.203 4.340 -0.001 0.000 0.232 167 R C 2.089 178.341 176.300 -0.080 0.000 1.117 167 R CA 1.184 57.273 56.100 -0.018 0.000 0.981 167 R CB -0.026 30.265 30.300 -0.014 0.000 0.870 167 R HN 0.195 nan 8.270 nan 0.000 0.451 168 K N -0.186 120.126 120.400 -0.147 0.000 2.354 168 K HA 0.098 4.418 4.320 -0.001 0.000 0.210 168 K C -0.378 175.987 176.600 -0.391 0.000 1.184 168 K CA -0.047 56.029 56.287 -0.353 0.000 0.880 168 K CB 0.426 32.547 32.500 -0.632 0.000 1.328 168 K HN -0.133 nan 8.250 nan 0.000 0.466 169 F N 3.379 123.326 119.950 -0.005 0.000 2.472 169 F HA 0.135 4.662 4.527 -0.001 0.000 0.364 169 F C 1.234 177.027 175.800 -0.012 0.000 1.090 169 F CA -0.114 57.881 58.000 -0.008 0.000 1.188 169 F CB 1.094 40.094 39.000 0.001 0.000 1.105 169 F HN 0.197 nan 8.300 nan 0.000 0.536 170 E N 2.584 122.857 120.200 0.122 0.000 2.038 170 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 170 E C 0.245 176.878 176.600 0.054 0.000 1.000 170 E CA 1.188 57.616 56.400 0.047 0.000 0.803 170 E CB 0.047 29.744 29.700 -0.005 0.000 0.750 170 E HN 0.478 nan 8.360 nan 0.000 0.448 171 R N 0.710 121.243 120.500 0.055 0.000 2.480 171 R HA 0.376 4.715 4.340 -0.001 0.000 0.306 171 R C -0.818 175.600 176.300 0.196 0.000 0.958 171 R CA -0.559 55.595 56.100 0.089 0.000 0.861 171 R CB 1.650 31.821 30.300 -0.216 0.000 1.171 171 R HN 0.025 nan 8.270 nan 0.000 0.445 172 I N 4.225 124.919 120.570 0.206 0.000 2.377 172 I HA 0.280 4.450 4.170 -0.001 0.000 0.293 172 I C -0.380 175.797 176.117 0.099 0.000 0.987 172 I CA -1.009 60.350 61.300 0.098 0.000 1.185 172 I CB 1.514 39.490 38.000 -0.040 0.000 1.341 172 I HN 0.427 nan 8.210 nan 0.000 0.455 173 L N 8.184 129.452 121.223 0.076 0.000 2.280 173 L HA 0.403 4.742 4.340 -0.001 0.000 0.287 173 L C -1.221 175.683 176.870 0.056 0.000 1.023 173 L CA -0.356 54.484 54.840 -0.001 0.000 0.819 173 L CB 1.097 43.178 42.059 0.036 0.000 1.212 173 L HN 0.465 nan 8.230 nan 0.000 0.420 174 Y N 5.185 125.418 120.300 -0.112 0.000 2.335 174 Y HA 0.666 5.216 4.550 -0.001 0.000 0.339 174 Y C -0.967 174.933 175.900 -0.001 0.000 0.987 174 Y CA -0.746 57.316 58.100 -0.064 0.000 1.140 174 Y CB 1.319 39.722 38.460 -0.094 0.000 1.173 174 Y HN 0.412 nan 8.280 nan 0.000 0.486 175 V N 6.452 126.100 119.914 -0.444 0.000 2.378 175 V HA 0.202 4.322 4.120 -0.001 0.000 0.288 175 V C -0.790 174.978 176.094 -0.543 0.000 1.016 175 V CA -0.806 61.291 62.300 -0.337 0.000 0.840 175 V CB 1.471 33.249 31.823 -0.074 0.000 0.994 175 V HN 0.724 nan 8.190 nan 0.000 0.431 176 D N 4.660 124.816 120.400 -0.407 0.000 2.460 176 D HA 0.375 5.014 4.640 -0.001 0.000 0.232 176 D C 0.453 176.790 176.300 0.062 0.000 1.079 176 D CA -0.262 53.605 54.000 -0.222 0.000 0.864 176 D CB 1.759 42.506 40.800 -0.088 0.000 1.048 176 D HN 0.456 nan 8.370 nan 0.000 0.523 177 L N 2.112 123.393 121.223 0.097 0.000 2.607 177 L HA 0.117 4.457 4.340 -0.001 0.000 0.228 177 L C 1.318 178.328 176.870 0.233 0.000 1.123 177 L CA -0.224 54.759 54.840 0.238 0.000 0.890 177 L CB -0.009 42.206 42.059 0.261 0.000 1.103 177 L HN 0.352 nan 8.230 nan 0.000 0.468 178 D N 0.904 121.417 120.400 0.188 0.000 2.364 178 D HA -0.117 4.523 4.640 -0.001 0.000 0.236 178 D C 1.091 177.538 176.300 0.244 0.000 1.221 178 D CA 0.021 54.139 54.000 0.195 0.000 0.891 178 D CB 1.513 42.433 40.800 0.199 0.000 1.190 178 D HN -0.022 nan 8.370 nan 0.000 0.449 179 L N 2.675 124.018 121.223 0.199 0.000 2.141 179 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 179 L C 0.397 177.356 176.870 0.148 0.000 1.094 179 L CA 1.521 56.321 54.840 -0.066 0.000 0.763 179 L CB -0.420 41.546 42.059 -0.155 0.000 0.908 179 L HN 0.379 nan 8.230 nan 0.000 0.437 180 H N -1.468 117.849 119.070 0.412 0.000 2.488 180 H HA 0.261 4.816 4.556 -0.001 0.000 0.347 180 H C -0.432 175.076 175.328 0.300 0.000 1.174 180 H CA -0.552 55.792 56.048 0.493 0.000 1.307 180 H CB 0.203 30.332 29.762 0.612 0.000 1.517 180 H HN 0.147 nan 8.280 nan 0.000 0.554 181 H N 0.743 119.854 119.070 0.068 0.000 2.848 181 H HA 0.121 4.676 4.556 -0.001 0.000 0.317 181 H C 0.341 175.448 175.328 -0.368 0.000 1.046 181 H CA -0.607 55.125 56.048 -0.526 0.000 1.470 181 H CB 0.409 29.874 29.762 -0.495 0.000 1.483 181 H HN 0.924 nan 8.280 nan 0.000 0.548 182 G N 5.003 113.480 108.800 -0.539 0.000 2.916 182 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.280 182 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.280 182 G C 0.950 175.439 174.900 -0.685 0.000 0.758 182 G CA -0.146 44.538 45.100 -0.694 0.000 1.993 182 G HN 0.859 nan 8.290 nan 0.000 0.564 183 D N 1.726 121.673 120.400 -0.755 0.000 2.149 183 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 183 D C 2.174 178.355 176.300 -0.197 0.000 0.972 183 D CA 1.079 54.750 54.000 -0.549 0.000 0.835 183 D CB -0.689 39.922 40.800 -0.314 0.000 0.966 183 D HN 0.301 nan 8.370 nan 0.000 0.476 184 G N 0.898 109.643 108.800 -0.091 0.000 2.446 184 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 184 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 184 G C 1.881 176.755 174.900 -0.044 0.000 1.168 184 G CA 1.460 46.573 45.100 0.022 0.000 0.771 184 G HN 0.314 nan 8.290 nan 0.000 0.551 185 V N 0.600 120.454 119.914 -0.100 0.000 2.379 185 V HA -0.101 4.019 4.120 -0.001 0.000 0.245 185 V C 2.521 178.628 176.094 0.022 0.000 1.044 185 V CA 2.076 64.298 62.300 -0.129 0.000 1.036 185 V CB -0.378 31.204 31.823 -0.403 0.000 0.664 185 V HN 0.571 nan 8.190 nan 0.000 0.453 186 E N 0.363 120.565 120.200 0.004 0.000 2.085 186 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 186 E C 1.809 178.431 176.600 0.036 0.000 0.994 186 E CA 1.771 58.207 56.400 0.060 0.000 0.801 186 E CB -0.084 29.637 29.700 0.035 0.000 0.743 186 E HN 0.601 nan 8.360 nan 0.000 0.453 187 D N 0.044 120.438 120.400 -0.011 0.000 2.144 187 D HA -0.100 4.540 4.640 -0.001 0.000 0.200 187 D C 1.709 178.010 176.300 0.002 0.000 0.978 187 D CA 1.193 55.191 54.000 -0.004 0.000 0.833 187 D CB -0.226 40.586 40.800 0.019 0.000 0.961 187 D HN 0.299 nan 8.370 nan 0.000 0.470 188 A N -0.612 122.155 122.820 -0.089 0.000 2.216 188 A HA -0.033 4.286 4.320 -0.001 0.000 0.214 188 A C 0.972 178.140 177.584 -0.693 0.000 1.160 188 A CA 0.637 52.473 52.037 -0.336 0.000 0.725 188 A CB -0.437 18.159 19.000 -0.675 0.000 0.784 188 A HN 0.206 nan 8.150 nan 0.000 0.472 189 F N -1.367 118.591 119.950 0.014 0.000 2.859 189 F HA 0.081 4.608 4.527 -0.001 0.000 0.324 189 F C 1.821 177.628 175.800 0.011 0.000 1.158 189 F CA 0.325 58.338 58.000 0.020 0.000 1.147 189 F CB 0.237 39.224 39.000 -0.022 0.000 1.137 189 F HN 0.158 nan 8.300 nan 0.000 0.516 190 S N -0.450 115.289 115.700 0.064 0.000 2.383 190 S HA -0.144 4.325 4.470 -0.001 0.000 0.227 190 S C 1.454 175.932 174.600 -0.203 0.000 1.026 190 S CA 1.124 59.242 58.200 -0.135 0.000 0.981 190 S CB -0.646 62.330 63.200 -0.374 0.000 0.818 190 S HN 0.339 nan 8.310 nan 0.000 0.472 191 F N 1.891 121.875 119.950 0.057 0.000 2.797 191 F HA 0.333 4.859 4.527 -0.001 0.000 0.302 191 F C 1.536 177.356 175.800 0.034 0.000 1.130 191 F CA 0.080 58.104 58.000 0.040 0.000 1.387 191 F CB -0.142 38.870 39.000 0.020 0.000 1.107 191 F HN 0.165 nan 8.300 nan 0.000 0.577 192 T N -1.169 113.504 114.554 0.199 0.000 2.937 192 T HA 0.369 4.719 4.350 -0.001 0.000 0.283 192 T C 0.949 175.621 174.700 -0.046 0.000 1.012 192 T CA -0.058 62.107 62.100 0.109 0.000 0.997 192 T CB 1.338 70.318 68.868 0.188 0.000 1.136 192 T HN 0.052 nan 8.240 nan 0.000 0.551 193 S N 0.393 115.973 115.700 -0.200 0.000 2.733 193 S HA 0.281 4.750 4.470 -0.001 0.000 0.247 193 S C 1.089 175.599 174.600 -0.150 0.000 1.043 193 S CA -0.607 57.203 58.200 -0.651 0.000 1.066 193 S CB 0.167 62.704 63.200 -1.105 0.000 1.045 193 S HN 0.558 nan 8.310 nan 0.000 0.586 194 K N 1.340 121.752 120.400 0.020 0.000 2.365 194 K HA 0.294 4.613 4.320 -0.001 0.000 0.197 194 K C 0.044 176.779 176.600 0.225 0.000 1.042 194 K CA 0.421 56.776 56.287 0.113 0.000 0.987 194 K CB 0.201 32.745 32.500 0.073 0.000 0.779 194 K HN 0.372 nan 8.250 nan 0.000 0.484 195 V N 2.202 122.196 119.914 0.133 0.000 2.482 195 V HA 0.328 4.447 4.120 -0.001 0.000 0.295 195 V C -0.609 175.432 176.094 -0.089 0.000 1.026 195 V CA -0.656 61.607 62.300 -0.062 0.000 0.856 195 V CB 1.815 33.284 31.823 -0.591 0.000 1.001 195 V HN 0.104 nan 8.190 nan 0.000 0.424 196 M N 5.064 124.455 119.600 -0.348 0.000 2.238 196 M HA 0.576 5.056 4.480 -0.001 0.000 0.350 196 M C -0.020 176.152 176.300 -0.213 0.000 1.138 196 M CA -0.151 54.895 55.300 -0.424 0.000 1.040 196 M CB 1.605 33.528 32.600 -1.128 0.000 1.639 196 M HN 0.792 nan 8.290 nan 0.000 0.451 197 T N 2.488 117.018 114.554 -0.039 0.000 2.770 197 T HA 0.572 4.921 4.350 -0.001 0.000 0.283 197 T C -0.715 174.020 174.700 0.060 0.000 0.988 197 T CA -0.839 61.322 62.100 0.101 0.000 0.957 197 T CB 1.368 70.370 68.868 0.223 0.000 0.930 197 T HN 0.574 nan 8.240 nan 0.000 0.443 198 V N 2.585 122.518 119.914 0.032 0.000 2.495 198 V HA 0.830 4.950 4.120 -0.001 0.000 0.298 198 V C -0.683 175.444 176.094 0.055 0.000 1.031 198 V CA -0.307 62.014 62.300 0.034 0.000 0.871 198 V CB 1.708 33.540 31.823 0.016 0.000 0.988 198 V HN 1.154 nan 8.190 nan 0.000 0.432 199 S N 7.117 122.900 115.700 0.138 0.000 2.677 199 S HA 0.648 5.118 4.470 -0.001 0.000 0.283 199 S C -1.205 173.621 174.600 0.376 0.000 1.159 199 S CA -0.713 57.632 58.200 0.242 0.000 1.001 199 S CB 1.045 64.422 63.200 0.295 0.000 1.032 199 S HN 0.789 nan 8.310 nan 0.000 0.487 200 L N 7.239 128.660 121.223 0.330 0.000 2.289 200 L HA 0.701 5.040 4.340 -0.001 0.000 0.285 200 L C 0.072 177.244 176.870 0.504 0.000 1.049 200 L CA -0.653 54.355 54.840 0.281 0.000 0.804 200 L CB 0.905 43.056 42.059 0.153 0.000 1.195 200 L HN 0.823 nan 8.230 nan 0.000 0.428 201 H N 1.419 120.695 119.070 0.342 0.000 2.935 201 H HA 0.191 4.747 4.556 -0.001 0.000 0.297 201 H C -1.695 173.877 175.328 0.406 0.000 1.423 201 H CA -1.151 55.099 56.048 0.338 0.000 1.161 201 H CB 1.523 31.466 29.762 0.303 0.000 1.841 201 H HN 0.444 nan 8.280 nan 0.000 0.506 202 K N 1.149 121.740 120.400 0.319 0.000 2.383 202 K HA 0.276 4.595 4.320 -0.001 0.000 0.286 202 K C -1.452 175.385 176.600 0.395 0.000 1.051 202 K CA -0.302 56.121 56.287 0.227 0.000 0.974 202 K CB 0.239 32.541 32.500 -0.331 0.000 0.968 202 K HN 0.368 nan 8.250 nan 0.000 0.475 203 F N 4.428 124.439 119.950 0.101 0.000 2.500 203 F HA 0.332 4.859 4.527 -0.001 0.000 0.349 203 F C -1.324 174.530 175.800 0.089 0.000 1.127 203 F CA -0.319 57.770 58.000 0.148 0.000 0.998 203 F CB 1.095 40.113 39.000 0.030 0.000 1.237 203 F HN 0.545 nan 8.300 nan 0.000 0.439 204 S N 5.769 121.241 115.700 -0.380 0.000 2.537 204 S HA 0.632 5.102 4.470 -0.001 0.000 0.271 204 S C -3.316 171.136 174.600 -0.247 0.000 1.148 204 S CA -1.505 56.455 58.200 -0.400 0.000 0.868 204 S CB 1.979 65.066 63.200 -0.187 0.000 1.115 204 S HN 0.447 nan 8.310 nan 0.000 0.461 205 P HA 0.201 nan 4.420 nan 0.000 0.258 205 P C 1.172 178.485 177.300 0.022 0.000 1.172 205 P CA 1.740 64.782 63.100 -0.097 0.000 0.762 205 P CB -0.182 31.469 31.700 -0.080 0.000 0.764 206 G N 2.671 111.509 108.800 0.064 0.000 2.225 206 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.254 206 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.254 206 G C -0.210 174.806 174.900 0.194 0.000 0.988 206 G CA -0.168 44.999 45.100 0.112 0.000 0.625 206 G HN 0.557 nan 8.290 nan 0.000 0.527 207 F N 2.408 122.398 119.950 0.067 0.000 2.404 207 F HA 0.683 5.209 4.527 -0.001 0.000 0.358 207 F C 0.567 176.504 175.800 0.229 0.000 1.120 207 F CA -2.188 55.894 58.000 0.137 0.000 1.144 207 F CB 0.120 39.172 39.000 0.086 0.000 1.133 207 F HN 0.158 nan 8.300 nan 0.000 0.495 208 F N 9.534 129.203 119.950 -0.469 0.000 2.629 208 F HA 0.136 4.662 4.527 -0.001 0.000 0.369 208 F C -1.304 174.365 175.800 -0.219 0.000 1.125 208 F CA -1.401 56.426 58.000 -0.289 0.000 1.330 208 F CB 0.582 39.438 39.000 -0.241 0.000 1.071 208 F HN 0.445 nan 8.300 nan 0.000 0.595 209 P HA 0.152 nan 4.420 nan 0.000 0.245 209 P C 0.792 177.846 177.300 -0.409 0.000 1.206 209 P CA 1.469 63.815 63.100 -1.257 0.000 0.781 209 P CB 0.457 31.519 31.700 -1.064 0.000 0.994 210 G N -0.298 108.485 108.800 -0.027 0.000 2.475 210 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.209 210 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.209 210 G C 0.557 175.657 174.900 0.333 0.000 1.127 210 G CA 0.287 45.472 45.100 0.142 0.000 0.681 210 G HN 0.586 nan 8.290 nan 0.000 0.517 211 T N -1.397 113.281 114.554 0.207 0.000 2.729 211 T HA 0.570 4.919 4.350 -0.001 0.000 0.298 211 T C 1.597 176.315 174.700 0.030 0.000 1.013 211 T CA 1.212 63.414 62.100 0.170 0.000 0.957 211 T CB 1.359 70.326 68.868 0.165 0.000 1.130 211 T HN 2.315 nan 8.240 nan 0.000 0.526 212 G N -0.169 108.399 108.800 -0.386 0.000 2.143 212 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.175 212 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.175 212 G C -0.297 174.104 174.900 -0.832 0.000 1.004 212 G CA -0.039 44.544 45.100 -0.860 0.000 0.671 212 G HN 1.052 nan 8.290 nan 0.000 0.512 213 D N -0.353 119.395 120.400 -1.086 0.000 2.382 213 D HA 0.325 4.965 4.640 -0.001 0.000 0.240 213 D C 1.634 177.665 176.300 -0.448 0.000 1.146 213 D CA 0.445 53.810 54.000 -1.059 0.000 0.897 213 D CB 1.466 41.861 40.800 -0.675 0.000 1.197 213 D HN 0.319 nan 8.370 nan 0.000 0.432 214 V N 2.650 122.383 119.914 -0.300 0.000 2.568 214 V HA -0.232 3.887 4.120 -0.001 0.000 0.253 214 V C 1.945 178.048 176.094 0.014 0.000 1.072 214 V CA 2.747 64.969 62.300 -0.130 0.000 1.084 214 V CB -0.639 31.101 31.823 -0.139 0.000 0.676 214 V HN 0.705 nan 8.190 nan 0.000 0.469 215 S N -0.688 114.994 115.700 -0.030 0.000 2.423 215 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 215 S C 1.065 175.686 174.600 0.035 0.000 1.014 215 S CA 0.750 59.022 58.200 0.121 0.000 0.965 215 S CB -0.527 62.696 63.200 0.039 0.000 0.785 215 S HN 0.716 nan 8.310 nan 0.000 0.495 216 D N 1.712 122.077 120.400 -0.058 0.000 2.434 216 D HA 0.181 4.821 4.640 -0.001 0.000 0.252 216 D C 0.851 177.109 176.300 -0.069 0.000 1.185 216 D CA 0.546 54.498 54.000 -0.080 0.000 0.886 216 D CB 1.394 42.122 40.800 -0.120 0.000 1.148 216 D HN 0.260 nan 8.370 nan 0.000 0.483 217 V N 1.039 120.886 119.914 -0.111 0.000 3.359 217 V HA 0.582 4.701 4.120 -0.001 0.000 0.270 217 V C 0.716 176.724 176.094 -0.143 0.000 1.583 217 V CA 0.702 62.916 62.300 -0.143 0.000 1.019 217 V CB -0.066 31.582 31.823 -0.291 0.000 0.831 217 V HN 0.807 nan 8.190 nan 0.000 0.426 218 G N 0.341 109.046 108.800 -0.158 0.000 2.354 218 G HA2 0.259 4.218 3.960 -0.001 0.000 0.582 218 G HA3 0.259 4.218 3.960 -0.001 0.000 0.582 218 G C -1.597 173.175 174.900 -0.214 0.000 1.316 218 G CA -0.324 44.679 45.100 -0.161 0.000 0.995 218 G HN 0.572 nan 8.290 nan 0.000 0.573 219 L N -0.051 121.012 121.223 -0.266 0.000 2.341 219 L HA 0.777 5.117 4.340 -0.001 0.000 0.254 219 L C 1.458 178.352 176.870 0.039 0.000 1.040 219 L CA -0.185 54.542 54.840 -0.187 0.000 0.837 219 L CB 1.473 43.280 42.059 -0.420 0.000 1.425 219 L HN 2.357 nan 8.230 nan 0.000 0.414 220 G N 0.623 109.533 108.800 0.185 0.000 2.627 220 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.312 220 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.312 220 G C 0.555 175.554 174.900 0.166 0.000 1.299 220 G CA 0.670 45.906 45.100 0.227 0.000 0.989 220 G HN 0.735 nan 8.290 nan 0.000 0.547 221 K N 1.434 121.924 120.400 0.150 0.000 2.574 221 K HA 0.077 4.396 4.320 -0.001 0.000 0.193 221 K C 2.225 178.861 176.600 0.059 0.000 1.035 221 K CA 0.813 57.158 56.287 0.097 0.000 0.982 221 K CB -0.198 32.333 32.500 0.052 0.000 0.795 221 K HN 0.569 nan 8.250 nan 0.000 0.491 222 G N 0.921 109.780 108.800 0.098 0.000 3.189 222 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.225 222 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.225 222 G C 0.241 175.283 174.900 0.236 0.000 1.159 222 G CA -0.425 44.727 45.100 0.088 0.000 0.763 222 G HN 0.109 nan 8.290 nan 0.000 0.549 223 R N -0.245 120.383 120.500 0.213 0.000 2.570 223 R HA 0.181 4.521 4.340 -0.001 0.000 0.277 223 R C -0.039 176.431 176.300 0.282 0.000 1.039 223 R CA -0.025 56.119 56.100 0.073 0.000 1.065 223 R CB -0.065 30.241 30.300 0.010 0.000 0.964 223 R HN 0.395 nan 8.270 nan 0.000 0.428 224 Y N 0.893 121.270 120.300 0.127 0.000 4.841 224 Y HA -0.302 4.247 4.550 -0.001 0.000 0.242 224 Y C -0.296 175.492 175.900 -0.187 0.000 1.002 224 Y CA 0.738 58.829 58.100 -0.016 0.000 2.011 224 Y CB -2.076 36.378 38.460 -0.010 0.000 1.554 224 Y HN 0.677 nan 8.280 nan 0.000 0.618 225 Y N -0.907 119.442 120.300 0.082 0.000 2.584 225 Y HA 0.505 5.055 4.550 -0.001 0.000 0.254 225 Y C 0.559 176.440 175.900 -0.032 0.000 1.177 225 Y CA -0.007 58.113 58.100 0.033 0.000 1.216 225 Y CB 1.143 39.647 38.460 0.072 0.000 1.172 225 Y HN -0.051 nan 8.280 nan 0.000 0.529 226 S N 0.591 116.324 115.700 0.055 0.000 2.659 226 S HA 0.465 4.934 4.470 -0.001 0.000 0.312 226 S C -1.201 173.406 174.600 0.012 0.000 1.114 226 S CA -0.664 57.559 58.200 0.039 0.000 1.063 226 S CB 1.766 64.987 63.200 0.035 0.000 0.996 226 S HN -0.046 nan 8.310 nan 0.000 0.478 227 V N 5.765 125.693 119.914 0.023 0.000 2.326 227 V HA 0.513 4.633 4.120 -0.001 0.000 0.281 227 V C -1.054 175.071 176.094 0.053 0.000 1.015 227 V CA -0.601 61.712 62.300 0.020 0.000 0.823 227 V CB 0.899 32.724 31.823 0.002 0.000 1.009 227 V HN 0.823 nan 8.190 nan 0.000 0.436 228 N N 4.994 123.712 118.700 0.031 0.000 2.419 228 N HA 0.455 5.195 4.740 -0.001 0.000 0.277 228 N C -0.924 174.564 175.510 -0.036 0.000 1.006 228 N CA -0.239 52.835 53.050 0.040 0.000 0.923 228 N CB 2.202 40.636 38.487 -0.088 0.000 1.140 228 N HN 0.509 nan 8.380 nan 0.000 0.488 229 V N 4.621 124.501 119.914 -0.057 0.000 2.284 229 V HA 0.258 4.377 4.120 -0.001 0.000 0.274 229 V C -2.084 173.863 176.094 -0.244 0.000 1.023 229 V CA -1.568 60.664 62.300 -0.113 0.000 0.808 229 V CB 1.304 33.087 31.823 -0.066 0.000 1.035 229 V HN 0.506 nan 8.190 nan 0.000 0.445 230 P HA 0.355 nan 4.420 nan 0.000 0.276 230 P C -0.617 176.668 177.300 -0.025 0.000 1.264 230 P CA 0.221 63.232 63.100 -0.148 0.000 0.769 230 P CB 1.085 32.810 31.700 0.042 0.000 0.840 231 I N 3.643 124.237 120.570 0.040 0.000 2.603 231 I HA 0.334 4.504 4.170 -0.001 0.000 0.300 231 I C 0.594 176.772 176.117 0.102 0.000 1.017 231 I CA -0.975 60.346 61.300 0.035 0.000 1.098 231 I CB 2.318 40.317 38.000 -0.001 0.000 1.279 231 I HN 0.308 nan 8.210 nan 0.000 0.437 232 Q N 2.684 122.462 119.800 -0.036 0.000 2.418 232 Q HA 0.446 4.786 4.340 -0.001 0.000 0.276 232 Q C -1.316 174.640 176.000 -0.073 0.000 1.081 232 Q CA -0.950 54.844 55.803 -0.015 0.000 0.864 232 Q CB 0.779 29.489 28.738 -0.046 0.000 1.384 232 Q HN 0.401 nan 8.270 nan 0.000 0.467 233 D N 0.233 120.617 120.400 -0.027 0.000 2.506 233 D HA 0.346 4.985 4.640 -0.001 0.000 0.234 233 D C 0.922 177.177 176.300 -0.075 0.000 1.143 233 D CA 2.408 56.407 54.000 -0.001 0.000 0.871 233 D CB 0.067 40.859 40.800 -0.014 0.000 1.190 233 D HN 0.843 nan 8.370 nan 0.000 0.459 234 G N 1.135 109.892 108.800 -0.072 0.000 2.168 234 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.197 234 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.197 234 G C 0.357 175.178 174.900 -0.131 0.000 0.997 234 G CA -0.578 44.476 45.100 -0.076 0.000 0.658 234 G HN 0.481 nan 8.290 nan 0.000 0.513 235 I N 1.091 121.503 120.570 -0.263 0.000 2.813 235 I HA 0.250 4.420 4.170 -0.001 0.000 0.287 235 I C 0.547 176.578 176.117 -0.144 0.000 1.196 235 I CA 0.798 61.939 61.300 -0.266 0.000 1.421 235 I CB 0.925 38.617 38.000 -0.513 0.000 1.365 235 I HN 0.339 nan 8.210 nan 0.000 0.591 236 Q N 4.279 124.034 119.800 -0.075 0.000 2.394 236 Q HA 0.190 4.529 4.340 -0.001 0.000 0.273 236 Q C 0.367 176.371 176.000 0.008 0.000 1.089 236 Q CA -0.854 54.924 55.803 -0.042 0.000 0.812 236 Q CB 2.007 30.722 28.738 -0.039 0.000 1.353 236 Q HN 0.519 nan 8.270 nan 0.000 0.438 237 D N 1.649 122.046 120.400 -0.004 0.000 2.412 237 D HA -0.297 4.342 4.640 -0.001 0.000 0.191 237 D C 1.187 177.552 176.300 0.109 0.000 1.019 237 D CA 2.177 56.204 54.000 0.045 0.000 0.866 237 D CB 0.119 40.916 40.800 -0.004 0.000 0.966 237 D HN 0.567 nan 8.370 nan 0.000 0.459 238 E N 0.603 120.833 120.200 0.049 0.000 2.048 238 E HA -0.199 4.151 4.350 -0.001 0.000 0.202 238 E C 2.039 178.690 176.600 0.085 0.000 1.021 238 E CA 1.463 57.894 56.400 0.051 0.000 0.825 238 E CB -0.192 29.514 29.700 0.009 0.000 0.756 238 E HN 0.289 nan 8.360 nan 0.000 0.454 239 K N -0.681 119.750 120.400 0.052 0.000 2.026 239 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 239 K C 2.263 178.894 176.600 0.052 0.000 1.048 239 K CA 1.206 57.508 56.287 0.025 0.000 0.929 239 K CB -0.273 32.216 32.500 -0.019 0.000 0.713 239 K HN 0.145 nan 8.250 nan 0.000 0.439 240 Y N 0.213 120.492 120.300 -0.035 0.000 2.081 240 Y HA -0.356 4.193 4.550 -0.001 0.000 0.280 240 Y C 2.216 178.119 175.900 0.005 0.000 1.163 240 Y CA 2.200 60.283 58.100 -0.027 0.000 1.135 240 Y CB -0.578 37.884 38.460 0.003 0.000 0.970 240 Y HN 0.195 nan 8.280 nan 0.000 0.498 241 Y N 1.028 121.396 120.300 0.114 0.000 2.165 241 Y HA -0.331 4.219 4.550 -0.001 0.000 0.286 241 Y C 2.403 178.228 175.900 -0.124 0.000 1.155 241 Y CA 2.224 60.322 58.100 -0.005 0.000 1.164 241 Y CB -0.556 37.909 38.460 0.007 0.000 0.978 241 Y HN 0.294 nan 8.280 nan 0.000 0.513 242 Q N 0.056 119.826 119.800 -0.050 0.000 2.030 242 Q HA -0.217 4.122 4.340 -0.001 0.000 0.204 242 Q C 2.336 178.179 176.000 -0.262 0.000 0.986 242 Q CA 2.437 58.150 55.803 -0.150 0.000 0.843 242 Q CB -0.318 28.390 28.738 -0.049 0.000 0.904 242 Q HN 0.558 nan 8.270 nan 0.000 0.420 243 I N -0.025 120.404 120.570 -0.235 0.000 2.163 243 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 243 I C 2.685 178.609 176.117 -0.322 0.000 1.085 243 I CA 0.839 61.986 61.300 -0.256 0.000 1.347 243 I CB -0.430 37.403 38.000 -0.279 0.000 1.044 243 I HN 0.414 nan 8.210 nan 0.000 0.408 244 C N 0.887 119.922 119.300 -0.442 0.000 2.453 244 C HA -0.183 4.277 4.460 -0.001 0.000 0.277 244 C C 2.890 177.610 174.990 -0.450 0.000 1.262 244 C CA 1.478 60.243 59.018 -0.422 0.000 1.718 244 C CB -0.923 26.562 27.740 -0.425 0.000 2.031 244 C HN 0.549 nan 8.230 nan 0.000 0.480 245 E N -0.211 119.527 120.200 -0.770 0.000 2.153 245 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 245 E C 2.189 178.505 176.600 -0.473 0.000 0.988 245 E CA 1.359 57.176 56.400 -0.971 0.000 0.811 245 E CB -0.209 28.726 29.700 -1.275 0.000 0.746 245 E HN 0.658 nan 8.360 nan 0.000 0.466 246 S N -0.484 115.021 115.700 -0.326 0.000 2.349 246 S HA -0.147 4.322 4.470 -0.001 0.000 0.216 246 S C 2.034 176.591 174.600 -0.072 0.000 1.033 246 S CA 1.497 59.602 58.200 -0.159 0.000 1.021 246 S CB -0.426 62.689 63.200 -0.141 0.000 0.968 246 S HN 0.243 nan 8.310 nan 0.000 0.426 247 V N 2.400 122.265 119.914 -0.081 0.000 2.282 247 V HA -0.182 3.937 4.120 -0.001 0.000 0.249 247 V C 2.413 178.553 176.094 0.078 0.000 1.057 247 V CA 2.032 64.323 62.300 -0.015 0.000 1.032 247 V CB -0.745 31.053 31.823 -0.041 0.000 0.645 247 V HN 0.503 nan 8.190 nan 0.000 0.447 248 L N -0.406 120.892 121.223 0.125 0.000 2.362 248 L HA -0.158 4.182 4.340 -0.001 0.000 0.219 248 L C 2.497 179.710 176.870 0.571 0.000 1.134 248 L CA 1.392 56.461 54.840 0.383 0.000 0.807 248 L CB -0.535 41.798 42.059 0.457 0.000 0.927 248 L HN 0.374 nan 8.230 nan 0.000 0.447 249 K N 0.524 121.169 120.400 0.407 0.000 2.076 249 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 249 K C 1.814 178.590 176.600 0.294 0.000 1.051 249 K CA 1.118 57.668 56.287 0.438 0.000 0.949 249 K CB 0.173 32.840 32.500 0.278 0.000 0.726 249 K HN 0.304 nan 8.250 nan 0.000 0.443 250 E N 0.029 120.336 120.200 0.178 0.000 2.216 250 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 250 E C 1.895 178.553 176.600 0.097 0.000 0.988 250 E CA 0.559 57.024 56.400 0.109 0.000 0.834 250 E CB 0.338 30.070 29.700 0.053 0.000 0.772 250 E HN 0.079 nan 8.360 nan 0.000 0.479 251 V N 0.789 120.776 119.914 0.122 0.000 2.358 251 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 251 V C 2.026 178.175 176.094 0.092 0.000 1.047 251 V CA 1.636 63.987 62.300 0.086 0.000 1.035 251 V CB -0.518 31.355 31.823 0.083 0.000 0.658 251 V HN 0.313 nan 8.190 nan 0.000 0.452 252 Y N 0.782 121.037 120.300 -0.074 0.000 2.274 252 Y HA -0.220 4.329 4.550 -0.001 0.000 0.290 252 Y C 2.582 178.381 175.900 -0.167 0.000 1.145 252 Y CA 1.591 59.507 58.100 -0.306 0.000 1.203 252 Y CB -0.052 38.098 38.460 -0.516 0.000 0.984 252 Y HN 0.268 nan 8.280 nan 0.000 0.533 253 Q N -0.333 119.435 119.800 -0.053 0.000 1.984 253 Q HA -0.003 4.337 4.340 -0.001 0.000 0.196 253 Q C 2.633 178.568 176.000 -0.108 0.000 0.975 253 Q CA 1.410 57.147 55.803 -0.110 0.000 0.827 253 Q CB -1.167 27.572 28.738 0.002 0.000 0.894 253 Q HN 0.487 nan 8.270 nan 0.000 0.438 254 A N -0.186 122.614 122.820 -0.034 0.000 2.019 254 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 254 A C 1.776 179.368 177.584 0.014 0.000 1.164 254 A CA 1.242 53.267 52.037 -0.020 0.000 0.644 254 A CB -0.458 18.534 19.000 -0.013 0.000 0.805 254 A HN 0.327 nan 8.150 nan 0.000 0.449 255 F N -0.652 119.214 119.950 -0.139 0.000 2.500 255 F HA 0.209 4.736 4.527 -0.001 0.000 0.285 255 F C 0.580 176.274 175.800 -0.177 0.000 1.088 255 F CA 0.406 58.342 58.000 -0.106 0.000 1.432 255 F CB 0.145 39.100 39.000 -0.074 0.000 1.131 255 F HN 0.308 nan 8.300 nan 0.000 0.582 256 N N 1.476 120.005 118.700 -0.284 0.000 2.607 256 N HA -0.151 4.589 4.740 -0.001 0.000 0.285 256 N C -2.774 172.488 175.510 -0.413 0.000 1.151 256 N CA 0.401 53.129 53.050 -0.537 0.000 0.749 256 N CB -0.580 37.628 38.487 -0.465 0.000 0.923 256 N HN 0.165 nan 8.380 nan 0.000 0.552 257 P HA 0.164 nan 4.420 nan 0.000 0.274 257 P C -0.107 177.147 177.300 -0.076 0.000 1.256 257 P CA -0.176 62.908 63.100 -0.027 0.000 0.795 257 P CB 0.894 32.700 31.700 0.178 0.000 1.038 258 K N -0.702 119.686 120.400 -0.021 0.000 2.399 258 K HA 0.452 4.771 4.320 -0.001 0.000 0.196 258 K C 0.476 176.942 176.600 -0.223 0.000 1.103 258 K CA 0.306 56.591 56.287 -0.003 0.000 0.986 258 K CB 0.467 33.078 32.500 0.185 0.000 0.952 258 K HN 0.582 nan 8.250 nan 0.000 0.541 259 A N -0.071 122.599 122.820 -0.251 0.000 2.556 259 A HA 0.773 5.092 4.320 -0.001 0.000 0.294 259 A C -1.438 176.062 177.584 -0.140 0.000 1.091 259 A CA -0.658 51.112 52.037 -0.444 0.000 0.704 259 A CB 1.727 20.281 19.000 -0.742 0.000 1.300 259 A HN -0.130 nan 8.150 nan 0.000 0.406 260 V N 0.788 120.637 119.914 -0.107 0.000 2.733 260 V HA 0.470 4.589 4.120 -0.001 0.000 0.306 260 V C -0.919 175.179 176.094 0.007 0.000 1.084 260 V CA -0.518 61.791 62.300 0.014 0.000 0.905 260 V CB 1.869 33.764 31.823 0.120 0.000 1.010 260 V HN 0.730 nan 8.190 nan 0.000 0.424 261 V N 5.894 125.845 119.914 0.062 0.000 2.334 261 V HA 0.455 4.574 4.120 -0.001 0.000 0.281 261 V C -0.508 175.634 176.094 0.080 0.000 1.016 261 V CA -0.494 61.866 62.300 0.101 0.000 0.832 261 V CB 1.488 33.435 31.823 0.207 0.000 0.999 261 V HN 0.613 nan 8.190 nan 0.000 0.439 262 L N 5.568 126.788 121.223 -0.004 0.000 2.280 262 L HA 0.553 4.893 4.340 -0.001 0.000 0.287 262 L C -0.094 176.727 176.870 -0.081 0.000 1.023 262 L CA -0.201 54.598 54.840 -0.069 0.000 0.819 262 L CB 1.620 43.653 42.059 -0.043 0.000 1.212 262 L HN 0.822 nan 8.230 nan 0.000 0.420 263 Q N 5.124 124.843 119.800 -0.135 0.000 2.303 263 Q HA 0.507 4.846 4.340 -0.001 0.000 0.257 263 Q C -1.518 174.451 176.000 -0.052 0.000 0.941 263 Q CA 0.018 55.760 55.803 -0.102 0.000 0.931 263 Q CB 1.026 29.706 28.738 -0.097 0.000 1.215 263 Q HN 0.777 nan 8.270 nan 0.000 0.437 264 L N 4.623 125.843 121.223 -0.006 0.000 2.825 264 L HA 0.490 4.829 4.340 -0.001 0.000 0.236 264 L C 0.597 177.602 176.870 0.224 0.000 1.301 264 L CA -0.921 53.995 54.840 0.126 0.000 0.977 264 L CB 0.641 42.833 42.059 0.222 0.000 1.300 264 L HN 0.879 nan 8.230 nan 0.000 0.486 265 G N 0.205 109.069 108.800 0.107 0.000 2.321 265 G HA2 0.222 4.181 3.960 -0.001 0.000 0.237 265 G HA3 0.222 4.181 3.960 -0.001 0.000 0.237 265 G C 0.842 175.833 174.900 0.151 0.000 1.282 265 G CA 0.306 45.473 45.100 0.112 0.000 0.886 265 G HN 0.607 nan 8.290 nan 0.000 0.528 266 A N 1.604 124.465 122.820 0.069 0.000 2.275 266 A HA 0.180 4.500 4.320 -0.001 0.000 0.212 266 A C 1.592 179.063 177.584 -0.189 0.000 1.201 266 A CA 0.890 52.831 52.037 -0.158 0.000 0.843 266 A CB 0.055 18.687 19.000 -0.613 0.000 0.873 266 A HN 0.658 nan 8.150 nan 0.000 0.492 267 D N -0.373 119.942 120.400 -0.142 0.000 2.332 267 D HA -0.073 4.566 4.640 -0.001 0.000 0.244 267 D C 1.073 177.370 176.300 -0.005 0.000 1.136 267 D CA 1.200 55.163 54.000 -0.062 0.000 0.884 267 D CB -0.726 40.097 40.800 0.039 0.000 0.906 267 D HN 0.329 nan 8.370 nan 0.000 0.520 268 T N -3.165 111.360 114.554 -0.048 0.000 3.054 268 T HA 0.221 4.570 4.350 -0.001 0.000 0.255 268 T C 0.699 175.399 174.700 -0.001 0.000 1.035 268 T CA -0.550 61.517 62.100 -0.056 0.000 0.941 268 T CB 0.078 68.911 68.868 -0.058 0.000 1.026 268 T HN -0.033 nan 8.240 nan 0.000 0.533 269 I N 2.736 123.276 120.570 -0.050 0.000 2.474 269 I HA 0.478 4.648 4.170 -0.001 0.000 0.287 269 I C 1.099 177.188 176.117 -0.047 0.000 1.048 269 I CA -1.493 59.765 61.300 -0.069 0.000 1.383 269 I CB 0.124 38.048 38.000 -0.126 0.000 1.412 269 I HN 0.287 nan 8.210 nan 0.000 0.531 270 A N 4.654 127.447 122.820 -0.044 0.000 2.580 270 A HA 0.358 4.677 4.320 -0.001 0.000 0.244 270 A C 1.258 178.815 177.584 -0.046 0.000 1.045 270 A CA 0.803 52.820 52.037 -0.034 0.000 0.761 270 A CB -0.657 18.316 19.000 -0.045 0.000 0.962 270 A HN 1.487 nan 8.150 nan 0.000 0.512 271 G N 1.984 110.767 108.800 -0.029 0.000 2.144 271 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.218 271 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.218 271 G C -0.190 174.691 174.900 -0.031 0.000 0.988 271 G CA 0.381 45.459 45.100 -0.037 0.000 0.659 271 G HN 1.138 nan 8.290 nan 0.000 0.522 272 D N -0.108 120.285 120.400 -0.010 0.000 2.210 272 D HA 0.572 5.211 4.640 -0.001 0.000 0.249 272 D C -0.168 176.163 176.300 0.052 0.000 1.062 272 D CA -1.758 52.252 54.000 0.017 0.000 0.891 272 D CB 1.434 42.254 40.800 0.033 0.000 1.186 272 D HN -0.015 nan 8.370 nan 0.000 0.432 273 P HA -0.262 nan 4.420 nan 0.000 0.217 273 P C 1.544 178.896 177.300 0.087 0.000 1.162 273 P CA 1.507 64.642 63.100 0.059 0.000 0.901 273 P CB 0.043 31.770 31.700 0.044 0.000 0.793 274 M N -1.775 117.912 119.600 0.144 0.000 2.143 274 M HA -0.188 4.291 4.480 -0.001 0.000 0.258 274 M C 1.382 177.758 176.300 0.126 0.000 1.071 274 M CA 1.218 56.632 55.300 0.189 0.000 1.088 274 M CB -2.150 30.615 32.600 0.275 0.000 1.360 274 M HN 0.084 nan 8.290 nan 0.000 0.404 275 C N 1.373 120.726 119.300 0.088 0.000 3.899 275 C HA -0.195 4.264 4.460 -0.001 0.000 0.297 275 C C 1.665 176.688 174.990 0.054 0.000 1.371 275 C CA 0.551 59.605 59.018 0.059 0.000 2.088 275 C CB -1.913 25.855 27.740 0.046 0.000 1.346 275 C HN 0.676 nan 8.230 nan 0.000 0.658 276 S N -0.685 115.054 115.700 0.064 0.000 2.694 276 S HA 0.420 4.889 4.470 -0.001 0.000 0.225 276 S C 0.392 175.157 174.600 0.275 0.000 1.012 276 S CA 0.302 58.548 58.200 0.077 0.000 0.896 276 S CB -0.118 63.031 63.200 -0.085 0.000 0.838 276 S HN 0.482 nan 8.310 nan 0.000 0.604 277 F N 2.489 122.410 119.950 -0.048 0.000 2.362 277 F HA 0.501 5.027 4.527 -0.001 0.000 0.311 277 F C 0.778 176.546 175.800 -0.054 0.000 1.161 277 F CA -1.610 56.362 58.000 -0.047 0.000 1.085 277 F CB 0.121 39.093 39.000 -0.048 0.000 1.311 277 F HN 0.069 nan 8.300 nan 0.000 0.524 278 N N 0.960 119.719 118.700 0.100 0.000 2.679 278 N HA 0.207 4.947 4.740 -0.001 0.000 0.302 278 N C -1.135 174.360 175.510 -0.024 0.000 1.941 278 N CA -0.088 52.972 53.050 0.018 0.000 0.875 278 N CB 0.022 38.501 38.487 -0.013 0.000 1.278 278 N HN 0.238 nan 8.380 nan 0.000 0.490 279 M N -0.070 119.515 119.600 -0.026 0.000 2.494 279 M HA 0.467 4.947 4.480 -0.001 0.000 0.300 279 M C 0.622 176.866 176.300 -0.094 0.000 1.189 279 M CA -0.461 54.787 55.300 -0.086 0.000 0.982 279 M CB 1.096 33.604 32.600 -0.154 0.000 1.534 279 M HN 0.327 nan 8.290 nan 0.000 0.488 280 T N -2.842 111.645 114.554 -0.113 0.000 2.907 280 T HA 0.508 4.858 4.350 -0.001 0.000 0.292 280 T C -2.479 172.123 174.700 -0.163 0.000 1.043 280 T CA -1.747 60.266 62.100 -0.145 0.000 1.003 280 T CB 2.068 70.843 68.868 -0.155 0.000 1.084 280 T HN 0.256 nan 8.240 nan 0.000 0.483 281 P HA -0.108 nan 4.420 nan 0.000 0.218 281 P C 1.692 178.899 177.300 -0.155 0.000 1.146 281 P CA 0.594 63.575 63.100 -0.198 0.000 0.813 281 P CB -0.089 31.395 31.700 -0.360 0.000 0.778 282 V N -0.283 119.439 119.914 -0.320 0.000 2.295 282 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 282 V C 2.580 178.691 176.094 0.028 0.000 1.049 282 V CA 2.542 64.775 62.300 -0.112 0.000 1.024 282 V CB -1.858 29.870 31.823 -0.158 0.000 0.648 282 V HN 0.185 nan 8.190 nan 0.000 0.447 283 G N 0.142 108.934 108.800 -0.012 0.000 2.402 283 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.216 283 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.216 283 G C 1.448 176.424 174.900 0.127 0.000 1.162 283 G CA 0.749 45.876 45.100 0.045 0.000 0.777 283 G HN 0.384 nan 8.290 nan 0.000 0.539 284 I N 2.031 122.652 120.570 0.086 0.000 2.361 284 I HA -0.079 4.091 4.170 -0.001 0.000 0.251 284 I C 2.932 179.163 176.117 0.191 0.000 1.133 284 I CA 1.181 62.565 61.300 0.140 0.000 1.413 284 I CB -1.501 36.563 38.000 0.107 0.000 1.073 284 I HN 0.226 nan 8.210 nan 0.000 0.424 285 G N 0.816 109.739 108.800 0.204 0.000 2.408 285 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 285 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 285 G C 1.811 176.789 174.900 0.130 0.000 1.150 285 G CA 0.238 45.454 45.100 0.194 0.000 0.776 285 G HN 0.338 nan 8.290 nan 0.000 0.542 286 K N -0.394 120.072 120.400 0.111 0.000 2.148 286 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 286 K C 2.545 179.336 176.600 0.319 0.000 1.050 286 K CA 0.978 57.285 56.287 0.032 0.000 0.942 286 K CB -0.267 32.029 32.500 -0.341 0.000 0.724 286 K HN 0.316 nan 8.250 nan 0.000 0.446 287 C N 0.599 120.120 119.300 0.369 0.000 2.446 287 C HA -0.057 4.403 4.460 -0.001 0.000 0.277 287 C C 2.497 177.578 174.990 0.151 0.000 1.275 287 C CA 0.115 59.307 59.018 0.291 0.000 1.727 287 C CB -0.656 27.251 27.740 0.278 0.000 2.010 287 C HN 0.450 nan 8.230 nan 0.000 0.486 288 L N 1.669 122.967 121.223 0.125 0.000 2.017 288 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 288 L C 2.391 179.251 176.870 -0.016 0.000 1.073 288 L CA 1.933 56.801 54.840 0.047 0.000 0.745 288 L CB -0.732 41.370 42.059 0.072 0.000 0.894 288 L HN 0.262 nan 8.230 nan 0.000 0.432 289 K N -1.643 118.767 120.400 0.017 0.000 2.057 289 K HA -0.239 4.081 4.320 -0.001 0.000 0.207 289 K C 2.171 178.725 176.600 -0.077 0.000 1.049 289 K CA 1.803 58.076 56.287 -0.024 0.000 0.931 289 K CB -0.554 31.948 32.500 0.004 0.000 0.714 289 K HN 0.331 nan 8.250 nan 0.000 0.440 290 Y N 1.662 121.862 120.300 -0.168 0.000 2.207 290 Y HA -0.190 4.360 4.550 -0.001 0.000 0.287 290 Y C 1.765 177.180 175.900 -0.808 0.000 1.156 290 Y CA 1.223 59.118 58.100 -0.341 0.000 1.182 290 Y CB -0.063 38.257 38.460 -0.233 0.000 0.979 290 Y HN -0.020 nan 8.280 nan 0.000 0.521 291 I N -0.972 119.164 120.570 -0.724 0.000 2.333 291 I HA -0.265 3.905 4.170 -0.001 0.000 0.246 291 I C 2.129 177.909 176.117 -0.563 0.000 1.106 291 I CA 0.813 61.495 61.300 -1.030 0.000 1.411 291 I CB -0.324 37.392 38.000 -0.475 0.000 1.082 291 I HN 0.144 nan 8.210 nan 0.000 0.420 292 L N 0.700 121.740 121.223 -0.306 0.000 2.265 292 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 292 L C 2.629 179.392 176.870 -0.177 0.000 1.117 292 L CA 1.085 55.826 54.840 -0.166 0.000 0.782 292 L CB -0.563 41.431 42.059 -0.108 0.000 0.914 292 L HN 0.435 nan 8.230 nan 0.000 0.441 293 Q N -0.184 119.428 119.800 -0.314 0.000 2.224 293 Q HA -0.219 4.121 4.340 -0.001 0.000 0.203 293 Q C 1.893 177.784 176.000 -0.183 0.000 0.970 293 Q CA 1.326 56.967 55.803 -0.270 0.000 0.865 293 Q CB -0.067 28.447 28.738 -0.374 0.000 0.922 293 Q HN 0.509 nan 8.270 nan 0.000 0.445 294 W N 0.843 121.953 121.300 -0.316 0.000 2.465 294 W HA -0.064 4.595 4.660 -0.001 0.000 0.268 294 W C 0.802 177.242 176.519 -0.133 0.000 1.242 294 W CA 0.887 58.031 57.345 -0.336 0.000 1.248 294 W CB -0.088 29.093 29.460 -0.465 0.000 1.118 294 W HN 0.379 nan 8.180 nan 0.000 0.587 295 Q N -1.793 118.067 119.800 0.101 0.000 2.424 295 Q HA -0.212 4.127 4.340 -0.001 0.000 0.234 295 Q C 0.169 176.211 176.000 0.070 0.000 0.748 295 Q CA 1.009 56.850 55.803 0.064 0.000 1.286 295 Q CB -2.494 26.279 28.738 0.059 0.000 1.494 295 Q HN 0.313 nan 8.270 nan 0.000 0.683 296 L N 0.160 121.442 121.223 0.097 0.000 2.479 296 L HA 0.521 4.861 4.340 -0.001 0.000 0.248 296 L C 1.047 177.888 176.870 -0.048 0.000 1.205 296 L CA -0.056 54.803 54.840 0.031 0.000 0.817 296 L CB 0.252 42.343 42.059 0.053 0.000 1.162 296 L HN 0.165 nan 8.230 nan 0.000 0.486 297 A N 0.527 123.231 122.820 -0.194 0.000 2.492 297 A HA 0.450 4.769 4.320 -0.001 0.000 0.254 297 A C -0.212 177.259 177.584 -0.189 0.000 1.091 297 A CA 0.047 51.943 52.037 -0.235 0.000 0.768 297 A CB -0.355 18.318 19.000 -0.545 0.000 1.028 297 A HN 0.648 nan 8.150 nan 0.000 0.498 298 T N 3.318 117.811 114.554 -0.102 0.000 2.879 298 T HA 0.470 4.819 4.350 -0.001 0.000 0.290 298 T C -0.595 174.057 174.700 -0.081 0.000 0.993 298 T CA -0.287 61.768 62.100 -0.075 0.000 0.975 298 T CB 1.116 69.959 68.868 -0.043 0.000 0.981 298 T HN 0.555 nan 8.240 nan 0.000 0.439 299 L N 4.711 125.887 121.223 -0.078 0.000 2.262 299 L HA 0.524 4.864 4.340 -0.001 0.000 0.288 299 L C -0.803 175.991 176.870 -0.126 0.000 1.035 299 L CA -0.948 53.835 54.840 -0.095 0.000 0.820 299 L CB 0.353 42.373 42.059 -0.065 0.000 1.204 299 L HN 0.532 nan 8.230 nan 0.000 0.424 300 I N 6.258 126.700 120.570 -0.215 0.000 2.342 300 I HA 0.315 4.484 4.170 -0.001 0.000 0.291 300 I C 0.011 175.885 176.117 -0.405 0.000 1.010 300 I CA -0.207 60.906 61.300 -0.313 0.000 1.308 300 I CB 1.262 38.987 38.000 -0.459 0.000 1.400 300 I HN 0.550 nan 8.210 nan 0.000 0.488 301 L N 4.548 125.588 121.223 -0.305 0.000 2.341 301 L HA 0.614 4.953 4.340 -0.001 0.000 0.267 301 L C 1.120 177.801 176.870 -0.316 0.000 1.009 301 L CA -0.553 54.112 54.840 -0.293 0.000 0.819 301 L CB 2.067 44.023 42.059 -0.171 0.000 1.323 301 L HN 0.679 nan 8.230 nan 0.000 0.425 302 G N 0.085 108.650 108.800 -0.391 0.000 3.078 302 G HA2 0.560 4.519 3.960 -0.001 0.000 0.163 302 G HA3 0.560 4.519 3.960 -0.001 0.000 0.163 302 G C 0.299 174.953 174.900 -0.410 0.000 1.894 302 G CA 0.512 45.245 45.100 -0.611 0.000 0.951 302 G HN 1.021 nan 8.290 nan 0.000 0.446 303 G N -2.136 106.349 108.800 -0.526 0.000 2.236 303 G HA2 0.481 4.440 3.960 -0.001 0.000 0.231 303 G HA3 0.481 4.440 3.960 -0.001 0.000 0.231 303 G C 0.378 174.880 174.900 -0.663 0.000 1.334 303 G CA 0.081 44.669 45.100 -0.855 0.000 1.137 303 G HN 1.493 nan 8.290 nan 0.000 0.482 304 G N -0.646 107.863 108.800 -0.485 0.000 2.559 304 G HA2 0.680 4.639 3.960 -0.001 0.000 0.235 304 G HA3 0.680 4.639 3.960 -0.001 0.000 0.235 304 G C 0.626 175.189 174.900 -0.562 0.000 1.266 304 G CA 1.005 45.817 45.100 -0.481 0.000 0.847 304 G HN 2.239 nan 8.290 nan 0.000 0.583 305 G N 0.038 108.122 108.800 -1.194 0.000 1.837 305 G HA2 0.278 4.237 3.960 -0.001 0.000 0.207 305 G HA3 0.278 4.237 3.960 -0.001 0.000 0.207 305 G C -0.582 173.898 174.900 -0.699 0.000 1.659 305 G CA -0.575 44.039 45.100 -0.811 0.000 0.956 305 G HN 0.660 nan 8.290 nan 0.000 0.655 306 Y N 1.081 121.282 120.300 -0.165 0.000 2.476 306 Y HA 0.328 4.878 4.550 -0.001 0.000 0.261 306 Y C 1.323 177.137 175.900 -0.143 0.000 1.077 306 Y CA -0.577 57.437 58.100 -0.142 0.000 1.240 306 Y CB 1.227 39.621 38.460 -0.111 0.000 1.317 306 Y HN 0.484 nan 8.280 nan 0.000 0.540 307 N N 2.536 121.205 118.700 -0.051 0.000 2.719 307 N HA 0.120 4.860 4.740 -0.001 0.000 0.243 307 N C 0.893 176.283 175.510 -0.201 0.000 1.104 307 N CA 0.193 53.179 53.050 -0.107 0.000 0.981 307 N CB 0.336 38.755 38.487 -0.114 0.000 1.290 307 N HN 0.373 nan 8.380 nan 0.000 0.513 308 L N 2.134 123.242 121.223 -0.191 0.000 1.997 308 L HA -0.324 4.015 4.340 -0.001 0.000 0.227 308 L C 2.348 179.008 176.870 -0.350 0.000 1.087 308 L CA 2.184 56.869 54.840 -0.258 0.000 0.797 308 L CB -1.074 40.863 42.059 -0.205 0.000 0.902 308 L HN 0.484 nan 8.230 nan 0.000 0.441 309 A N 0.093 122.682 122.820 -0.386 0.000 1.917 309 A HA -0.264 4.055 4.320 -0.001 0.000 0.219 309 A C 2.006 179.371 177.584 -0.365 0.000 1.182 309 A CA 2.478 54.181 52.037 -0.557 0.000 0.633 309 A CB -0.770 17.867 19.000 -0.605 0.000 0.819 309 A HN 0.502 nan 8.150 nan 0.000 0.448 310 N N -0.678 117.846 118.700 -0.293 0.000 2.166 310 N HA -0.078 4.661 4.740 -0.001 0.000 0.186 310 N C 1.701 176.996 175.510 -0.359 0.000 1.019 310 N CA 1.807 54.704 53.050 -0.254 0.000 0.856 310 N CB -0.595 37.763 38.487 -0.215 0.000 0.993 310 N HN 0.496 nan 8.380 nan 0.000 0.426 311 T N 0.037 114.297 114.554 -0.489 0.000 2.777 311 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 311 T C 1.880 176.069 174.700 -0.852 0.000 1.040 311 T CA 1.273 62.867 62.100 -0.843 0.000 1.141 311 T CB -0.353 67.932 68.868 -0.972 0.000 0.868 311 T HN 0.327 nan 8.240 nan 0.000 0.444 312 A N 1.697 124.215 122.820 -0.503 0.000 1.898 312 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 312 A C 2.361 179.860 177.584 -0.143 0.000 1.181 312 A CA 1.244 53.120 52.037 -0.270 0.000 0.620 312 A CB -0.447 18.486 19.000 -0.112 0.000 0.819 312 A HN 0.391 nan 8.150 nan 0.000 0.442 313 R N -1.259 119.191 120.500 -0.083 0.000 2.096 313 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 313 R C 2.349 178.585 176.300 -0.106 0.000 1.127 313 R CA 1.453 57.541 56.100 -0.021 0.000 0.968 313 R CB -0.835 29.456 30.300 -0.016 0.000 0.861 313 R HN 0.660 nan 8.270 nan 0.000 0.440 314 C N -0.235 118.929 119.300 -0.226 0.000 2.453 314 C HA -0.071 4.389 4.460 -0.001 0.000 0.277 314 C C 2.237 177.178 174.990 -0.081 0.000 1.262 314 C CA 0.224 59.130 59.018 -0.186 0.000 1.718 314 C CB -0.907 26.642 27.740 -0.319 0.000 2.031 314 C HN 0.613 nan 8.230 nan 0.000 0.480 315 W N 1.021 122.057 121.300 -0.440 0.000 2.436 315 W HA 0.053 4.712 4.660 -0.001 0.000 0.284 315 W C 2.873 179.013 176.519 -0.631 0.000 1.225 315 W CA 1.591 58.395 57.345 -0.901 0.000 1.271 315 W CB -1.737 26.763 29.460 -1.599 0.000 1.114 315 W HN 0.559 nan 8.180 nan 0.000 0.559 316 T N -2.067 112.387 114.554 -0.167 0.000 2.812 316 T HA -0.261 4.088 4.350 -0.001 0.000 0.264 316 T C 1.827 176.448 174.700 -0.131 0.000 1.042 316 T CA 1.374 63.393 62.100 -0.134 0.000 1.140 316 T CB -0.895 67.862 68.868 -0.185 0.000 0.870 316 T HN 0.087 nan 8.240 nan 0.000 0.445 317 Y N 1.975 122.153 120.300 -0.204 0.000 2.114 317 Y HA -0.030 4.520 4.550 -0.001 0.000 0.282 317 Y C 2.115 177.977 175.900 -0.064 0.000 1.165 317 Y CA 1.483 59.483 58.100 -0.166 0.000 1.148 317 Y CB -0.584 37.796 38.460 -0.135 0.000 0.972 317 Y HN 0.210 nan 8.280 nan 0.000 0.504 318 L N -0.734 120.484 121.223 -0.008 0.000 2.131 318 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 318 L C 2.284 179.187 176.870 0.054 0.000 1.092 318 L CA 1.692 56.547 54.840 0.024 0.000 0.759 318 L CB -0.858 41.354 42.059 0.255 0.000 0.903 318 L HN 0.290 nan 8.230 nan 0.000 0.435 319 T N -0.362 114.270 114.554 0.130 0.000 2.674 319 T HA -0.144 4.205 4.350 -0.001 0.000 0.265 319 T C 1.857 176.535 174.700 -0.037 0.000 1.039 319 T CA 1.436 63.634 62.100 0.163 0.000 1.150 319 T CB -0.627 68.347 68.868 0.178 0.000 0.864 319 T HN 0.545 nan 8.240 nan 0.000 0.427 320 G N 1.027 109.733 108.800 -0.156 0.000 2.475 320 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.220 320 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.220 320 G C 1.679 176.439 174.900 -0.233 0.000 1.125 320 G CA 0.927 45.902 45.100 -0.208 0.000 0.755 320 G HN 0.447 nan 8.290 nan 0.000 0.565 321 V N 0.966 120.688 119.914 -0.321 0.000 2.407 321 V HA -0.128 3.991 4.120 -0.001 0.000 0.248 321 V C 2.738 178.758 176.094 -0.124 0.000 1.055 321 V CA 1.433 63.576 62.300 -0.261 0.000 1.049 321 V CB -0.285 31.378 31.823 -0.267 0.000 0.662 321 V HN 0.422 nan 8.190 nan 0.000 0.455 322 I N -0.623 119.901 120.570 -0.077 0.000 2.286 322 I HA -0.148 4.021 4.170 -0.001 0.000 0.245 322 I C 2.063 178.151 176.117 -0.049 0.000 1.104 322 I CA 0.933 62.206 61.300 -0.045 0.000 1.397 322 I CB -0.296 37.694 38.000 -0.016 0.000 1.072 322 I HN 0.232 nan 8.210 nan 0.000 0.417 323 L N 0.826 122.016 121.223 -0.054 0.000 2.549 323 L HA 0.011 4.350 4.340 -0.001 0.000 0.229 323 L C 1.690 178.529 176.870 -0.052 0.000 1.158 323 L CA 1.375 56.186 54.840 -0.048 0.000 0.842 323 L CB -2.008 40.022 42.059 -0.050 0.000 0.952 323 L HN 0.550 nan 8.230 nan 0.000 0.452 324 G N 0.386 109.145 108.800 -0.068 0.000 2.176 324 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 324 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 324 G C 0.412 175.275 174.900 -0.060 0.000 1.024 324 G CA 0.311 45.374 45.100 -0.062 0.000 0.755 324 G HN 0.410 nan 8.290 nan 0.000 0.507 325 K N 0.061 120.415 120.400 -0.077 0.000 2.328 325 K HA 0.659 4.978 4.320 -0.001 0.000 0.246 325 K C 0.088 176.639 176.600 -0.082 0.000 0.955 325 K CA -0.277 55.973 56.287 -0.061 0.000 0.817 325 K CB 1.706 34.182 32.500 -0.041 0.000 1.208 325 K HN 0.261 nan 8.250 nan 0.000 0.432 326 T N -0.057 114.474 114.554 -0.038 0.000 2.749 326 T HA 0.409 4.759 4.350 -0.001 0.000 0.287 326 T C -0.069 174.645 174.700 0.024 0.000 0.970 326 T CA -0.941 61.150 62.100 -0.015 0.000 0.980 326 T CB 0.321 69.200 68.868 0.018 0.000 0.924 326 T HN 0.092 nan 8.240 nan 0.000 0.456 327 L N 3.178 124.416 121.223 0.025 0.000 2.456 327 L HA 0.498 4.838 4.340 -0.001 0.000 0.257 327 L C 1.132 178.120 176.870 0.196 0.000 1.162 327 L CA -0.160 54.744 54.840 0.106 0.000 0.808 327 L CB 0.758 42.724 42.059 -0.156 0.000 1.136 327 L HN 0.998 nan 8.230 nan 0.000 0.466 328 S N -0.794 115.098 115.700 0.319 0.000 2.565 328 S HA 0.126 4.595 4.470 -0.001 0.000 0.274 328 S C 1.257 175.989 174.600 0.221 0.000 1.309 328 S CA 0.065 58.390 58.200 0.208 0.000 1.043 328 S CB 0.964 64.245 63.200 0.136 0.000 0.939 328 S HN 0.623 nan 8.310 nan 0.000 0.504 329 S N 1.866 117.645 115.700 0.132 0.000 2.402 329 S HA -0.151 4.318 4.470 -0.001 0.000 0.233 329 S C 0.511 175.180 174.600 0.116 0.000 1.030 329 S CA 1.122 59.386 58.200 0.106 0.000 1.003 329 S CB -0.669 62.570 63.200 0.064 0.000 0.813 329 S HN 0.863 nan 8.310 nan 0.000 0.477 330 E N 1.229 121.493 120.200 0.107 0.000 2.259 330 E HA 0.208 4.557 4.350 -0.001 0.000 0.281 330 E C -0.501 176.151 176.600 0.087 0.000 1.027 330 E CA -0.515 55.941 56.400 0.093 0.000 0.838 330 E CB 0.728 30.468 29.700 0.066 0.000 1.066 330 E HN 0.259 nan 8.360 nan 0.000 0.401 331 I N 6.200 126.825 120.570 0.091 0.000 2.581 331 I HA 0.018 4.187 4.170 -0.001 0.000 0.285 331 I C -1.683 174.486 176.117 0.086 0.000 1.129 331 I CA -1.809 59.510 61.300 0.031 0.000 1.397 331 I CB -0.480 37.437 38.000 -0.138 0.000 1.399 331 I HN 0.276 nan 8.210 nan 0.000 0.537 332 P HA 0.037 nan 4.420 nan 0.000 0.271 332 P C -0.449 176.933 177.300 0.136 0.000 1.218 332 P CA -0.361 62.691 63.100 -0.081 0.000 0.780 332 P CB 0.834 32.334 31.700 -0.334 0.000 0.901 333 D N 1.568 121.943 120.400 -0.041 0.000 2.455 333 D HA 0.123 4.763 4.640 -0.001 0.000 0.241 333 D C -0.027 176.276 176.300 0.005 0.000 1.138 333 D CA 0.991 54.851 54.000 -0.234 0.000 0.877 333 D CB 0.111 40.609 40.800 -0.502 0.000 1.187 333 D HN 0.580 nan 8.370 nan 0.000 0.451 334 H N -0.468 118.671 119.070 0.115 0.000 2.917 334 H HA 0.250 4.806 4.556 -0.001 0.000 0.299 334 H C 0.684 176.110 175.328 0.163 0.000 1.418 334 H CA -0.704 55.415 56.048 0.118 0.000 1.138 334 H CB 0.297 30.144 29.762 0.141 0.000 1.830 334 H HN 0.313 nan 8.280 nan 0.000 0.514 335 E N -0.096 120.296 120.200 0.320 0.000 2.164 335 E HA -0.229 4.121 4.350 -0.001 0.000 0.206 335 E C 0.048 176.606 176.600 -0.071 0.000 1.032 335 E CA 2.237 58.677 56.400 0.067 0.000 0.832 335 E CB -0.125 29.571 29.700 -0.006 0.000 0.742 335 E HN 0.506 nan 8.360 nan 0.000 0.460 336 F N -0.905 119.338 119.950 0.488 0.000 2.647 336 F HA 0.182 4.709 4.527 -0.001 0.000 0.300 336 F C 1.088 177.083 175.800 0.324 0.000 1.106 336 F CA -0.511 57.722 58.000 0.390 0.000 1.313 336 F CB -0.065 39.203 39.000 0.446 0.000 1.007 336 F HN 0.018 nan 8.300 nan 0.000 0.536 337 F N 1.933 121.824 119.950 -0.098 0.000 2.063 337 F HA -0.374 4.152 4.527 -0.001 0.000 0.298 337 F C 2.813 178.761 175.800 0.246 0.000 1.105 337 F CA 2.446 60.356 58.000 -0.151 0.000 1.215 337 F CB -0.707 38.134 39.000 -0.264 0.000 0.972 337 F HN 0.126 nan 8.300 nan 0.000 0.483 338 T N -1.816 112.962 114.554 0.373 0.000 3.026 338 T HA -0.084 4.265 4.350 -0.001 0.000 0.271 338 T C 1.518 176.325 174.700 0.179 0.000 1.149 338 T CA 0.871 63.157 62.100 0.310 0.000 1.088 338 T CB -0.803 68.195 68.868 0.217 0.000 0.857 338 T HN 0.362 nan 8.240 nan 0.000 0.551 339 A N -0.554 122.362 122.820 0.161 0.000 2.303 339 A HA 0.407 4.726 4.320 -0.001 0.000 0.217 339 A C 0.187 177.661 177.584 -0.185 0.000 1.205 339 A CA -0.515 51.527 52.037 0.008 0.000 0.875 339 A CB -0.101 18.928 19.000 0.049 0.000 0.910 339 A HN 0.569 nan 8.150 nan 0.000 0.501 340 Y N 1.307 121.474 120.300 -0.223 0.000 2.714 340 Y HA 0.441 4.991 4.550 -0.001 0.000 0.333 340 Y C 1.345 176.882 175.900 -0.605 0.000 1.220 340 Y CA 0.365 58.274 58.100 -0.318 0.000 1.513 340 Y CB -0.158 38.144 38.460 -0.263 0.000 1.435 340 Y HN 0.516 nan 8.280 nan 0.000 0.489 341 G N 3.867 112.437 108.800 -0.384 0.000 2.877 341 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.279 341 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.279 341 G C -2.041 172.483 174.900 -0.627 0.000 1.431 341 G CA -0.628 44.231 45.100 -0.402 0.000 0.883 341 G HN 0.430 nan 8.290 nan 0.000 0.547 342 P HA 0.244 nan 4.420 nan 0.000 0.262 342 P C 0.136 177.358 177.300 -0.130 0.000 1.304 342 P CA 0.994 63.941 63.100 -0.256 0.000 0.859 342 P CB 0.433 32.081 31.700 -0.086 0.000 1.310 343 D N -2.207 118.057 120.400 -0.227 0.000 2.480 343 D HA 0.082 4.721 4.640 -0.001 0.000 0.243 343 D C -0.269 176.116 176.300 0.142 0.000 1.120 343 D CA -0.079 53.944 54.000 0.037 0.000 0.835 343 D CB -0.321 40.475 40.800 -0.007 0.000 1.204 343 D HN -0.126 nan 8.370 nan 0.000 0.513 344 Y N -0.235 120.026 120.300 -0.064 0.000 3.168 344 Y HA -0.235 4.314 4.550 -0.001 0.000 0.207 344 Y C -0.006 175.853 175.900 -0.067 0.000 1.280 344 Y CA -0.051 57.965 58.100 -0.140 0.000 1.235 344 Y CB -2.188 36.132 38.460 -0.232 0.000 1.370 344 Y HN -0.050 nan 8.280 nan 0.000 0.537 345 V N -3.315 116.633 119.914 0.058 0.000 3.074 345 V HA 0.648 4.768 4.120 -0.001 0.000 0.314 345 V C 0.520 176.646 176.094 0.053 0.000 1.117 345 V CA -1.011 61.325 62.300 0.061 0.000 1.014 345 V CB 1.946 33.795 31.823 0.043 0.000 1.057 345 V HN 0.079 nan 8.190 nan 0.000 0.438 346 L N 0.584 121.846 121.223 0.064 0.000 2.102 346 L HA 0.358 4.698 4.340 -0.001 0.000 0.202 346 L C 1.268 178.116 176.870 -0.037 0.000 1.076 346 L CA 1.359 56.226 54.840 0.045 0.000 0.761 346 L CB -0.532 41.575 42.059 0.080 0.000 0.921 346 L HN 0.923 nan 8.230 nan 0.000 0.444 347 E N 0.504 120.670 120.200 -0.055 0.000 2.459 347 E HA 0.102 4.451 4.350 -0.001 0.000 0.264 347 E C -0.422 176.116 176.600 -0.105 0.000 1.055 347 E CA 0.814 57.145 56.400 -0.115 0.000 0.957 347 E CB 0.236 29.886 29.700 -0.084 0.000 0.952 347 E HN 0.239 nan 8.360 nan 0.000 0.448 348 I N 1.176 121.664 120.570 -0.136 0.000 2.603 348 I HA 0.246 4.416 4.170 -0.001 0.000 0.300 348 I C -0.295 175.764 176.117 -0.097 0.000 1.017 348 I CA -0.815 60.417 61.300 -0.114 0.000 1.098 348 I CB 2.147 40.066 38.000 -0.134 0.000 1.279 348 I HN 0.304 nan 8.210 nan 0.000 0.437 349 T N 5.767 120.274 114.554 -0.077 0.000 2.758 349 T HA 0.346 4.696 4.350 -0.001 0.000 0.285 349 T C -2.396 172.269 174.700 -0.058 0.000 0.981 349 T CA -1.195 60.867 62.100 -0.063 0.000 0.965 349 T CB 1.065 69.903 68.868 -0.050 0.000 0.927 349 T HN 0.366 nan 8.240 nan 0.000 0.448 350 P HA 0.130 nan 4.420 nan 0.000 0.267 350 P C 0.270 177.548 177.300 -0.038 0.000 1.205 350 P CA -0.307 62.764 63.100 -0.047 0.000 0.765 350 P CB 0.543 32.215 31.700 -0.047 0.000 0.828 351 S N 2.654 118.335 115.700 -0.032 0.000 2.587 351 S HA 0.011 4.480 4.470 -0.001 0.000 0.260 351 S C 0.281 174.867 174.600 -0.024 0.000 1.353 351 S CA -0.613 57.571 58.200 -0.026 0.000 0.995 351 S CB 0.142 63.330 63.200 -0.020 0.000 0.912 351 S HN 0.658 nan 8.310 nan 0.000 0.568 352 C N 3.215 122.502 119.300 -0.021 0.000 2.145 352 C HA 0.556 5.015 4.460 -0.001 0.000 0.374 352 C C 0.245 175.225 174.990 -0.018 0.000 1.035 352 C CA -0.521 58.485 59.018 -0.020 0.000 1.431 352 C CB -2.281 25.449 27.740 -0.018 0.000 1.789 352 C HN 0.774 nan 8.230 nan 0.000 0.483 353 R N 4.465 124.953 120.500 -0.020 0.000 2.795 353 R HA 0.606 4.946 4.340 -0.001 0.000 0.275 353 R C -2.517 173.768 176.300 -0.025 0.000 0.981 353 R CA -1.116 54.973 56.100 -0.019 0.000 0.917 353 R CB 1.811 32.102 30.300 -0.015 0.000 1.202 353 R HN 0.506 nan 8.270 nan 0.000 0.469 354 P HA 0.074 nan 4.420 nan 0.000 0.276 354 P C -0.968 176.307 177.300 -0.042 0.000 1.244 354 P CA -0.321 62.760 63.100 -0.031 0.000 0.801 354 P CB 0.758 32.443 31.700 -0.026 0.000 1.006 355 D N 1.894 122.264 120.400 -0.049 0.000 2.483 355 D HA 0.053 4.692 4.640 -0.001 0.000 0.220 355 D C 0.177 176.437 176.300 -0.066 0.000 1.173 355 D CA -0.154 53.806 54.000 -0.067 0.000 0.964 355 D CB -0.029 40.730 40.800 -0.069 0.000 1.046 355 D HN 0.189 nan 8.370 nan 0.000 0.517 356 R N 3.177 123.636 120.500 -0.068 0.000 4.779 356 R HA 0.095 4.434 4.340 -0.001 0.000 0.217 356 R C -0.248 176.016 176.300 -0.059 0.000 1.934 356 R CA -0.126 55.941 56.100 -0.054 0.000 1.623 356 R CB -0.367 29.904 30.300 -0.048 0.000 1.364 356 R HN 0.338 nan 8.270 nan 0.000 0.799 357 N N -0.092 118.571 118.700 -0.063 0.000 2.629 357 N HA 0.065 4.804 4.740 -0.001 0.000 0.277 357 N C -1.209 174.267 175.510 -0.057 0.000 1.188 357 N CA -0.705 52.310 53.050 -0.058 0.000 0.835 357 N CB 0.924 39.362 38.487 -0.080 0.000 1.420 357 N HN -0.100 nan 8.380 nan 0.000 0.542 358 E N 1.992 122.174 120.200 -0.031 0.000 2.452 358 E HA 0.070 4.420 4.350 -0.001 0.000 0.261 358 E C -1.228 175.307 176.600 -0.108 0.000 0.987 358 E CA -1.062 55.306 56.400 -0.053 0.000 0.926 358 E CB 0.855 30.602 29.700 0.080 0.000 0.934 358 E HN 0.396 nan 8.360 nan 0.000 0.452 359 P HA -0.188 nan 4.420 nan 0.000 0.234 359 P C 0.289 177.487 177.300 -0.171 0.000 1.162 359 P CA 1.159 64.142 63.100 -0.194 0.000 0.759 359 P CB 0.287 31.856 31.700 -0.219 0.000 0.813 360 H N 0.291 119.343 119.070 -0.030 0.000 2.284 360 H HA -0.027 4.528 4.556 -0.001 0.000 0.304 360 H C 2.151 177.462 175.328 -0.030 0.000 1.069 360 H CA 1.403 57.435 56.048 -0.026 0.000 1.327 360 H CB -0.526 29.222 29.762 -0.023 0.000 1.387 360 H HN 0.061 nan 8.280 nan 0.000 0.498 361 R N 1.413 121.973 120.500 0.100 0.000 2.189 361 R HA 0.002 4.341 4.340 -0.001 0.000 0.223 361 R C 2.288 178.585 176.300 -0.006 0.000 1.092 361 R CA 0.633 56.751 56.100 0.029 0.000 0.989 361 R CB -0.846 29.461 30.300 0.011 0.000 0.876 361 R HN 0.319 nan 8.270 nan 0.000 0.457 362 I N -0.123 120.435 120.570 -0.020 0.000 2.286 362 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 362 I C 2.051 178.148 176.117 -0.033 0.000 1.104 362 I CA 1.156 62.429 61.300 -0.044 0.000 1.397 362 I CB -0.229 37.730 38.000 -0.069 0.000 1.072 362 I HN 0.222 nan 8.210 nan 0.000 0.417 363 Q N 0.847 120.636 119.800 -0.019 0.000 2.230 363 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 363 Q C 2.070 178.077 176.000 0.012 0.000 0.963 363 Q CA 1.520 57.319 55.803 -0.007 0.000 0.866 363 Q CB -0.059 28.679 28.738 0.001 0.000 0.931 363 Q HN 0.464 nan 8.270 nan 0.000 0.452 364 Q N -0.385 119.425 119.800 0.016 0.000 1.993 364 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 364 Q C 2.084 178.100 176.000 0.027 0.000 0.984 364 Q CA 1.676 57.492 55.803 0.022 0.000 0.837 364 Q CB -0.196 28.540 28.738 -0.003 0.000 0.902 364 Q HN 0.437 nan 8.270 nan 0.000 0.423 365 I N 0.748 121.311 120.570 -0.013 0.000 2.264 365 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 365 I C 2.212 178.348 176.117 0.032 0.000 1.111 365 I CA 0.972 62.264 61.300 -0.012 0.000 1.382 365 I CB -0.247 37.724 38.000 -0.049 0.000 1.060 365 I HN 0.224 nan 8.210 nan 0.000 0.418 366 L N 0.242 121.469 121.223 0.007 0.000 2.083 366 L HA -0.218 4.121 4.340 -0.001 0.000 0.209 366 L C 2.175 179.059 176.870 0.022 0.000 1.083 366 L CA 1.444 56.284 54.840 -0.001 0.000 0.752 366 L CB -0.516 41.529 42.059 -0.023 0.000 0.899 366 L HN 0.282 nan 8.230 nan 0.000 0.433 367 N N -1.126 117.600 118.700 0.044 0.000 2.148 367 N HA -0.191 4.549 4.740 -0.001 0.000 0.186 367 N C 1.693 177.248 175.510 0.075 0.000 1.031 367 N CA 0.783 53.862 53.050 0.047 0.000 0.848 367 N CB -0.308 38.209 38.487 0.050 0.000 1.005 367 N HN 0.142 nan 8.380 nan 0.000 0.427 368 Y N 1.508 121.790 120.300 -0.031 0.000 2.132 368 Y HA -0.256 4.294 4.550 -0.001 0.000 0.280 368 Y C 2.173 178.048 175.900 -0.042 0.000 1.193 368 Y CA 1.663 59.743 58.100 -0.032 0.000 1.157 368 Y CB -0.379 38.065 38.460 -0.027 0.000 0.966 368 Y HN 0.192 nan 8.280 nan 0.000 0.511 369 I N -0.411 120.220 120.570 0.101 0.000 2.233 369 I HA -0.275 3.895 4.170 -0.001 0.000 0.243 369 I C 2.128 178.220 176.117 -0.041 0.000 1.093 369 I CA 1.383 62.693 61.300 0.015 0.000 1.380 369 I CB -0.323 37.698 38.000 0.034 0.000 1.067 369 I HN 0.163 nan 8.210 nan 0.000 0.413 370 K N 0.864 121.248 120.400 -0.027 0.000 2.127 370 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 370 K C 1.989 178.540 176.600 -0.081 0.000 1.047 370 K CA 1.670 57.934 56.287 -0.039 0.000 0.927 370 K CB -0.572 31.914 32.500 -0.023 0.000 0.716 370 K HN 0.605 nan 8.250 nan 0.000 0.450 371 G N 1.057 109.786 108.800 -0.119 0.000 2.404 371 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.214 371 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.214 371 G C 1.122 175.830 174.900 -0.320 0.000 1.189 371 G CA 0.804 45.785 45.100 -0.200 0.000 0.789 371 G HN 0.326 nan 8.290 nan 0.000 0.533 372 N N -0.004 118.516 118.700 -0.300 0.000 2.184 372 N HA -0.069 4.670 4.740 -0.001 0.000 0.190 372 N C 2.033 177.430 175.510 -0.189 0.000 1.011 372 N CA 0.515 53.416 53.050 -0.248 0.000 0.867 372 N CB -0.165 38.277 38.487 -0.076 0.000 0.993 372 N HN 0.223 nan 8.380 nan 0.000 0.433 373 L N 0.711 121.850 121.223 -0.141 0.000 2.478 373 L HA -0.053 4.286 4.340 -0.001 0.000 0.223 373 L C 1.801 178.610 176.870 -0.102 0.000 1.140 373 L CA 0.645 55.423 54.840 -0.103 0.000 0.842 373 L CB -0.032 41.991 42.059 -0.061 0.000 0.953 373 L HN 0.168 nan 8.230 nan 0.000 0.452 374 K N -0.950 119.369 120.400 -0.135 0.000 2.103 374 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 374 K C 1.694 178.284 176.600 -0.017 0.000 1.052 374 K CA 0.934 57.177 56.287 -0.073 0.000 0.945 374 K CB -0.163 32.293 32.500 -0.073 0.000 0.722 374 K HN 0.480 nan 8.250 nan 0.000 0.443 375 H N 0.197 119.109 119.070 -0.264 0.000 2.545 375 H HA -0.006 4.550 4.556 -0.001 0.000 0.282 375 H C 0.045 175.249 175.328 -0.207 0.000 1.020 375 H CA -0.337 55.498 56.048 -0.355 0.000 1.243 375 H CB 0.216 29.457 29.762 -0.868 0.000 1.377 375 H HN -0.111 nan 8.280 nan 0.000 0.581 376 V N 3.333 123.212 119.914 -0.059 0.000 2.415 376 V HA -0.009 4.110 4.120 -0.001 0.000 0.267 376 V C 0.576 176.675 176.094 0.009 0.000 1.042 376 V CA -0.156 62.093 62.300 -0.086 0.000 1.000 376 V CB 0.737 32.450 31.823 -0.184 0.000 1.015 376 V HN 0.040 nan 8.190 nan 0.000 0.478 377 V N 0.000 119.965 119.914 0.085 0.000 2.409 377 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 377 V CA 0.000 62.332 62.300 0.053 0.000 1.235 377 V CB 0.000 31.861 31.823 0.063 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556