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 1kxq_1_C DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.900 176.000 -0.167 0.000 1.003 1 Q CA 0.000 55.651 55.803 -0.254 0.000 1.022 1 Q CB 0.000 28.461 28.738 -0.461 0.000 1.108 2 Y N -0.054 120.346 120.300 0.167 0.000 2.503 2 Y HA 0.581 5.131 4.550 -0.000 0.000 0.278 2 Y C 0.978 176.962 175.900 0.140 0.000 1.111 2 Y CA 0.226 58.440 58.100 0.190 0.000 1.270 2 Y CB 0.202 38.703 38.460 0.068 0.000 1.063 2 Y HN 0.051 nan 8.280 nan 0.000 0.548 3 A N 3.060 125.966 122.820 0.144 0.000 2.454 3 A HA 0.188 4.508 4.320 -0.000 0.000 0.260 3 A C -1.309 175.992 177.584 -0.472 0.000 1.106 3 A CA -1.201 50.768 52.037 -0.114 0.000 0.780 3 A CB 0.080 19.056 19.000 -0.041 0.000 1.044 3 A HN 0.106 nan 8.150 nan 0.000 0.498 4 P HA -0.167 nan 4.420 nan 0.000 0.220 4 P C -0.061 176.916 177.300 -0.538 0.000 1.148 4 P CA 0.883 62.936 63.100 -1.744 0.000 0.803 4 P CB 0.114 30.691 31.700 -1.871 0.000 0.782 5 Q N -0.940 118.716 119.800 -0.239 0.000 2.489 5 Q HA -0.111 4.229 4.340 -0.000 0.000 0.259 5 Q C 0.343 176.427 176.000 0.139 0.000 0.934 5 Q CA 1.324 57.144 55.803 0.028 0.000 1.131 5 Q CB -3.154 25.623 28.738 0.065 0.000 1.472 5 Q HN 0.492 nan 8.270 nan 0.000 0.560 6 T N -2.937 111.646 114.554 0.048 0.000 2.754 6 T HA 0.343 4.693 4.350 -0.000 0.000 0.286 6 T C 0.536 175.263 174.700 0.044 0.000 0.997 6 T CA -0.568 61.588 62.100 0.094 0.000 0.982 6 T CB 1.473 70.400 68.868 0.099 0.000 1.027 6 T HN 0.264 nan 8.240 nan 0.000 0.529 7 Q N 0.505 120.313 119.800 0.014 0.000 2.364 7 Q HA 0.173 4.513 4.340 -0.000 0.000 0.267 7 Q C -0.327 175.659 176.000 -0.022 0.000 0.999 7 Q CA -0.324 55.468 55.803 -0.018 0.000 0.886 7 Q CB 0.335 29.052 28.738 -0.035 0.000 1.243 7 Q HN 0.762 nan 8.270 nan 0.000 0.415 8 S N 2.166 117.851 115.700 -0.026 0.000 2.593 8 S HA 0.169 4.639 4.470 -0.000 0.000 0.300 8 S C 0.982 175.544 174.600 -0.064 0.000 1.267 8 S CA 0.595 58.774 58.200 -0.036 0.000 1.065 8 S CB 0.313 63.494 63.200 -0.031 0.000 0.807 8 S HN 1.005 nan 8.310 nan 0.000 0.499 9 G N 3.332 112.086 108.800 -0.076 0.000 2.258 9 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.233 9 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.233 9 G C -0.026 174.778 174.900 -0.159 0.000 1.006 9 G CA -0.319 44.705 45.100 -0.127 0.000 0.620 9 G HN 0.665 nan 8.290 nan 0.000 0.511 10 R N 1.153 121.588 120.500 -0.109 0.000 2.234 10 R HA 0.505 4.845 4.340 -0.000 0.000 0.324 10 R C 1.233 177.507 176.300 -0.044 0.000 1.054 10 R CA 0.504 56.541 56.100 -0.105 0.000 0.912 10 R CB 0.757 31.031 30.300 -0.044 0.000 1.030 10 R HN 0.350 nan 8.270 nan 0.000 0.455 11 T N -2.414 112.061 114.554 -0.131 0.000 3.085 11 T HA 0.216 4.566 4.350 -0.000 0.000 0.264 11 T C 0.383 174.759 174.700 -0.539 0.000 1.019 11 T CA -0.280 61.708 62.100 -0.188 0.000 0.910 11 T CB 0.429 69.168 68.868 -0.214 0.000 1.059 11 T HN 0.289 nan 8.240 nan 0.000 0.542 12 S N 1.128 116.612 115.700 -0.361 0.000 2.618 12 S HA 0.800 5.270 4.470 -0.000 0.000 0.277 12 S C -0.842 173.732 174.600 -0.044 0.000 1.138 12 S CA -1.092 56.845 58.200 -0.438 0.000 0.844 12 S CB 1.780 64.784 63.200 -0.327 0.000 1.127 12 S HN 0.577 nan 8.310 nan 0.000 0.474 13 I N -1.472 119.104 120.570 0.010 0.000 2.892 13 I HA 0.918 5.088 4.170 -0.000 0.000 0.306 13 I C -1.315 174.896 176.117 0.156 0.000 1.078 13 I CA -1.138 60.261 61.300 0.164 0.000 1.032 13 I CB 1.798 39.870 38.000 0.120 0.000 1.229 13 I HN 0.305 nan 8.210 nan 0.000 0.435 14 V N 2.380 122.399 119.914 0.175 0.000 2.604 14 V HA 0.296 4.416 4.120 -0.000 0.000 0.305 14 V C -0.831 175.304 176.094 0.068 0.000 1.043 14 V CA -0.515 61.844 62.300 0.099 0.000 0.888 14 V CB 1.602 33.415 31.823 -0.017 0.000 0.995 14 V HN 0.768 nan 8.190 nan 0.000 0.429 15 H N 5.161 124.206 119.070 -0.042 0.000 2.820 15 H HA 0.415 4.971 4.556 -0.000 0.000 0.278 15 H C -0.406 174.859 175.328 -0.105 0.000 1.142 15 H CA -0.673 55.370 56.048 -0.007 0.000 1.346 15 H CB 0.458 30.243 29.762 0.038 0.000 1.438 15 H HN 0.516 nan 8.280 nan 0.000 0.473 16 L N 7.548 128.661 121.223 -0.184 0.000 2.399 16 L HA 0.121 4.461 4.340 -0.000 0.000 0.257 16 L C 0.241 176.987 176.870 -0.206 0.000 1.236 16 L CA -0.454 53.982 54.840 -0.674 0.000 1.144 16 L CB -0.617 40.778 42.059 -1.107 0.000 1.379 16 L HN 0.564 nan 8.230 nan 0.000 0.414 17 F N 4.397 124.092 119.950 -0.425 0.000 2.539 17 F HA -0.095 4.432 4.527 -0.000 0.000 0.393 17 F C 1.148 177.175 175.800 0.378 0.000 1.032 17 F CA 0.316 58.155 58.000 -0.269 0.000 1.120 17 F CB 0.146 38.905 39.000 -0.401 0.000 1.014 17 F HN 0.540 nan 8.300 nan 0.000 0.546 18 E N 2.568 122.840 120.200 0.121 0.000 3.496 18 E HA -0.286 4.064 4.350 -0.000 0.000 0.300 18 E C -0.661 176.080 176.600 0.235 0.000 0.877 18 E CA 0.827 57.267 56.400 0.066 0.000 1.050 18 E CB -1.519 28.071 29.700 -0.184 0.000 1.532 18 E HN 0.644 nan 8.360 nan 0.000 0.447 19 W N 1.672 122.927 121.300 -0.074 0.000 2.158 19 W HA 0.181 4.841 4.660 -0.000 0.000 0.339 19 W C 1.479 177.841 176.519 -0.262 0.000 1.294 19 W CA 0.049 57.223 57.345 -0.285 0.000 1.231 19 W CB 0.271 29.567 29.460 -0.274 0.000 1.143 19 W HN -0.093 nan 8.180 nan 0.000 0.571 20 R N 1.963 122.381 120.500 -0.136 0.000 2.539 20 R HA 0.087 4.427 4.340 -0.000 0.000 0.275 20 R C 0.992 177.310 176.300 0.030 0.000 1.077 20 R CA -0.350 55.601 56.100 -0.248 0.000 1.097 20 R CB 0.525 30.706 30.300 -0.198 0.000 1.018 20 R HN 0.699 nan 8.270 nan 0.000 0.483 21 W N 1.200 122.554 121.300 0.089 0.000 2.342 21 W HA -0.219 4.441 4.660 -0.000 0.000 0.297 21 W C 1.992 178.529 176.519 0.030 0.000 1.213 21 W CA 0.440 57.826 57.345 0.069 0.000 1.251 21 W CB -0.352 29.165 29.460 0.095 0.000 1.136 21 W HN 0.476 nan 8.180 nan 0.000 0.526 22 V N -1.732 118.314 119.914 0.219 0.000 2.407 22 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 22 V C 1.644 177.791 176.094 0.088 0.000 1.055 22 V CA 2.243 64.615 62.300 0.120 0.000 1.049 22 V CB -0.911 30.948 31.823 0.060 0.000 0.662 22 V HN 0.073 nan 8.190 nan 0.000 0.455 23 D N 0.519 120.958 120.400 0.064 0.000 2.149 23 D HA 0.029 4.669 4.640 -0.000 0.000 0.201 23 D C 2.219 178.654 176.300 0.226 0.000 0.972 23 D CA 1.652 55.679 54.000 0.045 0.000 0.835 23 D CB -0.016 40.667 40.800 -0.194 0.000 0.966 23 D HN 0.506 nan 8.370 nan 0.000 0.476 24 I N 1.372 122.117 120.570 0.292 0.000 2.252 24 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 24 I C 2.561 178.739 176.117 0.101 0.000 1.102 24 I CA 0.736 62.170 61.300 0.224 0.000 1.385 24 I CB -0.234 37.898 38.000 0.220 0.000 1.064 24 I HN -0.099 nan 8.210 nan 0.000 0.414 25 A N 1.229 124.103 122.820 0.089 0.000 1.883 25 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 25 A C 2.311 179.920 177.584 0.042 0.000 1.186 25 A CA 1.540 53.594 52.037 0.029 0.000 0.624 25 A CB -0.894 18.124 19.000 0.030 0.000 0.822 25 A HN 0.369 nan 8.150 nan 0.000 0.444 26 L N -1.118 120.145 121.223 0.068 0.000 2.046 26 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 26 L C 2.668 179.593 176.870 0.093 0.000 1.077 26 L CA 1.736 56.617 54.840 0.068 0.000 0.747 26 L CB -0.422 41.673 42.059 0.060 0.000 0.896 26 L HN 0.468 nan 8.230 nan 0.000 0.432 27 E N -0.375 119.903 120.200 0.130 0.000 2.110 27 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 27 E C 2.238 178.903 176.600 0.108 0.000 0.988 27 E CA 1.496 57.990 56.400 0.157 0.000 0.804 27 E CB -0.262 29.553 29.700 0.191 0.000 0.745 27 E HN 0.437 nan 8.360 nan 0.000 0.458 28 c N 0.526 119.154 118.600 0.046 0.000 2.413 28 c HA -0.119 4.451 4.570 -0.000 0.000 0.276 28 c C 2.382 176.496 174.090 0.041 0.000 1.236 28 c CA 1.235 57.574 56.329 0.016 0.000 1.735 28 c CB -0.922 41.570 42.510 -0.031 0.000 2.031 28 c HN 0.549 nan 8.230 nan 0.000 0.474 29 E N 0.540 120.767 120.200 0.045 0.000 2.028 29 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 29 E C 2.348 178.992 176.600 0.073 0.000 0.988 29 E CA 1.093 57.522 56.400 0.048 0.000 0.799 29 E CB -0.305 29.419 29.700 0.041 0.000 0.755 29 E HN 0.689 nan 8.360 nan 0.000 0.447 30 R N -0.676 119.885 120.500 0.101 0.000 2.236 30 R HA -0.077 4.263 4.340 -0.000 0.000 0.208 30 R C 1.264 177.688 176.300 0.206 0.000 1.036 30 R CA 1.257 57.435 56.100 0.130 0.000 1.001 30 R CB 0.021 30.397 30.300 0.127 0.000 0.896 30 R HN 0.307 nan 8.270 nan 0.000 0.464 31 Y N -0.201 120.130 120.300 0.053 0.000 3.147 31 Y HA 0.236 4.786 4.550 -0.000 0.000 0.219 31 Y C 1.709 177.660 175.900 0.085 0.000 1.021 31 Y CA -0.291 57.848 58.100 0.065 0.000 1.440 31 Y CB 0.130 38.618 38.460 0.047 0.000 1.472 31 Y HN -0.148 nan 8.280 nan 0.000 0.408 32 L N 0.510 121.767 121.223 0.057 0.000 2.042 32 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 32 L C 2.475 179.408 176.870 0.104 0.000 1.076 32 L CA 1.747 56.580 54.840 -0.012 0.000 0.749 32 L CB -1.063 40.972 42.059 -0.040 0.000 0.893 32 L HN 0.503 nan 8.230 nan 0.000 0.432 33 G N 0.434 109.272 108.800 0.064 0.000 2.484 33 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 33 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 33 G C -0.619 174.339 174.900 0.096 0.000 1.219 33 G CA 0.702 45.846 45.100 0.072 0.000 0.791 33 G HN 0.302 nan 8.290 nan 0.000 0.550 34 P HA -0.038 nan 4.420 nan 0.000 0.216 34 P C 1.324 178.711 177.300 0.146 0.000 1.150 34 P CA 1.225 64.372 63.100 0.079 0.000 0.837 34 P CB 0.083 31.796 31.700 0.023 0.000 0.786 35 K N -1.469 118.978 120.400 0.079 0.000 2.476 35 K HA 0.308 4.628 4.320 -0.000 0.000 0.196 35 K C 1.128 178.001 176.600 0.454 0.000 1.025 35 K CA 0.530 56.936 56.287 0.199 0.000 1.138 35 K CB -0.962 31.447 32.500 -0.151 0.000 0.860 35 K HN 0.101 nan 8.250 nan 0.000 0.515 36 G N 0.493 109.498 108.800 0.343 0.000 2.160 36 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 36 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 36 G C -0.175 174.722 174.900 -0.005 0.000 1.008 36 G CA -0.263 44.882 45.100 0.074 0.000 0.724 36 G HN 0.213 nan 8.290 nan 0.000 0.514 37 F N 0.429 120.388 119.950 0.015 0.000 2.471 37 F HA 0.485 5.012 4.527 -0.000 0.000 0.353 37 F C 1.840 177.653 175.800 0.021 0.000 1.113 37 F CA 0.883 58.898 58.000 0.024 0.000 1.262 37 F CB 1.216 40.250 39.000 0.055 0.000 1.146 37 F HN -0.009 nan 8.300 nan 0.000 0.578 38 G N 1.318 110.225 108.800 0.177 0.000 2.430 38 G HA2 0.391 4.351 3.960 -0.000 0.000 0.216 38 G HA3 0.391 4.351 3.960 -0.000 0.000 0.216 38 G C 0.499 175.548 174.900 0.248 0.000 1.146 38 G CA 0.688 45.893 45.100 0.175 0.000 0.793 38 G HN 1.037 nan 8.290 nan 0.000 0.537 39 G N -2.126 106.858 108.800 0.306 0.000 2.430 39 G HA2 0.446 4.406 3.960 -0.000 0.000 0.300 39 G HA3 0.446 4.406 3.960 -0.000 0.000 0.300 39 G C -2.198 172.872 174.900 0.283 0.000 1.330 39 G CA -0.252 45.049 45.100 0.336 0.000 0.813 39 G HN 0.477 nan 8.290 nan 0.000 0.487 40 V N 0.454 120.525 119.914 0.262 0.000 2.588 40 V HA 0.567 4.687 4.120 -0.000 0.000 0.304 40 V C -0.132 176.135 176.094 0.288 0.000 1.042 40 V CA -0.645 61.754 62.300 0.164 0.000 0.877 40 V CB 1.661 33.484 31.823 -0.001 0.000 0.996 40 V HN 0.857 nan 8.190 nan 0.000 0.425 41 Q N 3.568 123.539 119.800 0.284 0.000 2.296 41 Q HA 0.592 4.932 4.340 -0.000 0.000 0.257 41 Q C -0.620 175.592 176.000 0.354 0.000 0.942 41 Q CA -0.456 55.546 55.803 0.331 0.000 0.939 41 Q CB 1.718 30.600 28.738 0.241 0.000 1.198 41 Q HN 0.793 nan 8.270 nan 0.000 0.429 42 V N 1.268 121.378 119.914 0.328 0.000 2.837 42 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 42 V C 0.199 176.593 176.094 0.499 0.000 1.059 42 V CA -0.844 61.712 62.300 0.428 0.000 1.004 42 V CB 1.613 33.651 31.823 0.359 0.000 1.045 42 V HN 0.759 nan 8.190 nan 0.000 0.465 43 S N 2.829 118.883 115.700 0.589 0.000 2.589 43 S HA 0.324 4.794 4.470 -0.000 0.000 0.265 43 S C -2.348 172.503 174.600 0.417 0.000 1.342 43 S CA -0.352 58.140 58.200 0.487 0.000 1.005 43 S CB 0.192 63.623 63.200 0.385 0.000 0.909 43 S HN 0.845 nan 8.310 nan 0.000 0.555 44 P HA 0.024 nan 4.420 nan 0.000 0.258 44 P C -1.915 175.555 177.300 0.284 0.000 1.172 44 P CA -0.580 62.621 63.100 0.169 0.000 0.762 44 P CB 0.082 31.746 31.700 -0.060 0.000 0.764 45 P HA -0.031 nan 4.420 nan 0.000 0.255 45 P C -0.311 177.102 177.300 0.189 0.000 1.248 45 P CA 0.481 63.785 63.100 0.340 0.000 0.807 45 P CB 0.260 31.922 31.700 -0.064 0.000 1.150 46 N N 0.358 119.150 118.700 0.154 0.000 2.508 46 N HA 0.078 4.818 4.740 -0.000 0.000 0.285 46 N C -0.256 175.259 175.510 0.009 0.000 1.144 46 N CA -0.501 52.579 53.050 0.050 0.000 0.978 46 N CB 1.456 39.893 38.487 -0.084 0.000 1.180 46 N HN -0.062 nan 8.380 nan 0.000 0.484 47 E N 0.379 120.565 120.200 -0.023 0.000 2.502 47 E HA -0.090 4.260 4.350 -0.000 0.000 0.261 47 E C -0.380 176.198 176.600 -0.037 0.000 0.974 47 E CA 0.115 56.503 56.400 -0.020 0.000 0.936 47 E CB 0.325 30.009 29.700 -0.025 0.000 0.926 47 E HN 0.737 nan 8.360 nan 0.000 0.459 48 N N 3.772 122.466 118.700 -0.010 0.000 2.509 48 N HA 0.262 5.002 4.740 -0.000 0.000 0.280 48 N C -0.741 174.779 175.510 0.018 0.000 1.306 48 N CA -0.786 52.266 53.050 0.003 0.000 0.782 48 N CB 0.861 39.353 38.487 0.008 0.000 1.493 48 N HN 0.339 nan 8.380 nan 0.000 0.498 49 I N 0.715 121.309 120.570 0.040 0.000 2.634 49 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 49 I C -0.294 175.829 176.117 0.010 0.000 1.124 49 I CA -0.313 61.008 61.300 0.034 0.000 1.417 49 I CB 0.877 38.913 38.000 0.061 0.000 1.396 49 I HN 0.293 nan 8.210 nan 0.000 0.571 50 V N 8.071 127.979 119.914 -0.010 0.000 2.432 50 V HA 0.191 4.311 4.120 -0.000 0.000 0.271 50 V C -0.136 175.934 176.094 -0.040 0.000 1.046 50 V CA -0.442 61.840 62.300 -0.031 0.000 0.945 50 V CB 1.106 32.909 31.823 -0.033 0.000 0.992 50 V HN 0.420 nan 8.190 nan 0.000 0.471 51 V N 5.391 125.261 119.914 -0.073 0.000 2.370 51 V HA 0.285 4.405 4.120 -0.000 0.000 0.279 51 V C 1.102 177.117 176.094 -0.132 0.000 1.029 51 V CA 0.276 62.520 62.300 -0.093 0.000 0.870 51 V CB 1.545 33.281 31.823 -0.146 0.000 0.984 51 V HN 1.052 nan 8.190 nan 0.000 0.451 52 T N 0.176 114.668 114.554 -0.104 0.000 2.990 52 T HA 0.138 4.487 4.350 -0.000 0.000 0.250 52 T C 0.646 175.258 174.700 -0.146 0.000 1.041 52 T CA -0.002 62.032 62.100 -0.110 0.000 1.010 52 T CB 0.001 68.826 68.868 -0.071 0.000 1.003 52 T HN 0.428 nan 8.240 nan 0.000 0.499 53 N N 3.276 121.887 118.700 -0.148 0.000 2.696 53 N HA 0.400 5.140 4.740 -0.000 0.000 0.246 53 N C -2.717 172.672 175.510 -0.201 0.000 1.057 53 N CA -1.854 51.090 53.050 -0.176 0.000 0.867 53 N CB 1.520 39.945 38.487 -0.104 0.000 1.141 53 N HN 0.228 nan 8.380 nan 0.000 0.517 54 P HA 0.140 nan 4.420 nan 0.000 0.279 54 P C -0.330 176.657 177.300 -0.521 0.000 1.282 54 P CA -0.459 62.188 63.100 -0.754 0.000 0.788 54 P CB 0.643 31.272 31.700 -1.784 0.000 1.139 55 S N 1.272 116.743 115.700 -0.382 0.000 2.503 55 S HA 0.084 4.554 4.470 -0.000 0.000 0.317 55 S C 0.072 174.692 174.600 0.032 0.000 1.162 55 S CA -0.367 57.786 58.200 -0.078 0.000 1.124 55 S CB -1.261 61.965 63.200 0.043 0.000 1.207 55 S HN 0.376 nan 8.310 nan 0.000 0.538 56 R N 1.414 121.854 120.500 -0.100 0.000 3.209 56 R HA -0.098 4.242 4.340 -0.000 0.000 0.252 56 R C -2.675 173.548 176.300 -0.127 0.000 0.958 56 R CA 0.266 56.295 56.100 -0.117 0.000 0.651 56 R CB -2.927 27.329 30.300 -0.073 0.000 1.142 56 R HN 0.515 nan 8.270 nan 0.000 0.441 57 P HA -0.021 nan 4.420 nan 0.000 0.272 57 P C 1.533 178.562 177.300 -0.452 0.000 1.230 57 P CA -0.468 62.340 63.100 -0.487 0.000 0.788 57 P CB 0.246 31.056 31.700 -1.483 0.000 0.949 58 W N 2.995 124.203 121.300 -0.154 0.000 2.374 58 W HA -0.117 4.543 4.660 -0.000 0.000 0.288 58 W C 1.710 178.384 176.519 0.258 0.000 1.218 58 W CA 0.829 58.223 57.345 0.083 0.000 1.245 58 W CB -1.838 27.833 29.460 0.352 0.000 1.126 58 W HN 0.462 nan 8.180 nan 0.000 0.545 59 W N 3.383 124.252 121.300 -0.718 0.000 2.825 59 W HA -0.022 4.638 4.660 0.000 0.000 0.243 59 W C 1.620 178.104 176.519 -0.059 0.000 1.293 59 W CA 0.971 57.980 57.345 -0.559 0.000 1.403 59 W CB -1.421 27.374 29.460 -1.108 0.000 1.134 59 W HN 0.222 nan 8.180 nan 0.000 0.666 60 E N 1.855 122.065 120.200 0.017 0.000 2.265 60 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 60 E C 1.793 178.467 176.600 0.124 0.000 0.996 60 E CA 0.854 57.312 56.400 0.097 0.000 0.832 60 E CB -0.565 29.088 29.700 -0.078 0.000 0.756 60 E HN 0.266 nan 8.360 nan 0.000 0.491 61 R N -0.376 120.190 120.500 0.110 0.000 2.339 61 R HA -0.019 4.321 4.340 -0.000 0.000 0.199 61 R C 0.380 176.569 176.300 -0.185 0.000 1.018 61 R CA 0.654 56.736 56.100 -0.030 0.000 1.036 61 R CB -0.046 30.215 30.300 -0.063 0.000 0.899 61 R HN 0.328 nan 8.270 nan 0.000 0.473 62 Y N 0.210 120.671 120.300 0.269 0.000 2.625 62 Y HA 0.205 4.755 4.550 -0.000 0.000 0.285 62 Y C 0.175 176.267 175.900 0.319 0.000 1.168 62 Y CA -0.094 58.193 58.100 0.312 0.000 1.250 62 Y CB 0.613 39.295 38.460 0.370 0.000 1.130 62 Y HN -0.095 nan 8.280 nan 0.000 0.526 63 Q N 1.241 121.197 119.800 0.260 0.000 2.907 63 Q HA 0.274 4.614 4.340 -0.000 0.000 0.262 63 Q C -2.713 173.348 176.000 0.101 0.000 0.997 63 Q CA -2.084 53.846 55.803 0.211 0.000 0.797 63 Q CB 1.295 30.145 28.738 0.186 0.000 1.228 63 Q HN 0.081 nan 8.270 nan 0.000 0.466 64 P HA -0.073 nan 4.420 nan 0.000 0.269 64 P C 0.394 177.624 177.300 -0.116 0.000 1.209 64 P CA 0.113 63.159 63.100 -0.090 0.000 0.776 64 P CB 0.941 32.531 31.700 -0.184 0.000 0.876 65 V N -0.897 118.958 119.914 -0.098 0.000 3.451 65 V HA 0.382 4.502 4.120 -0.000 0.000 0.288 65 V C 0.174 176.257 176.094 -0.019 0.000 1.502 65 V CA 0.682 63.025 62.300 0.072 0.000 1.026 65 V CB -0.164 31.759 31.823 0.167 0.000 0.840 65 V HN 0.687 nan 8.190 nan 0.000 0.437 66 S N -1.205 114.327 115.700 -0.280 0.000 2.656 66 S HA 0.566 5.036 4.470 -0.000 0.000 0.265 66 S C -0.918 173.296 174.600 -0.644 0.000 1.132 66 S CA -0.222 57.727 58.200 -0.419 0.000 0.819 66 S CB 0.724 63.835 63.200 -0.148 0.000 1.119 66 S HN 0.089 nan 8.310 nan 0.000 0.476 67 Y N 0.916 121.071 120.300 -0.242 0.000 2.607 67 Y HA 0.462 5.012 4.550 -0.000 0.000 0.266 67 Y C 0.739 176.541 175.900 -0.164 0.000 1.178 67 Y CA -0.743 57.111 58.100 -0.411 0.000 1.226 67 Y CB -0.019 38.129 38.460 -0.519 0.000 1.144 67 Y HN 0.410 nan 8.280 nan 0.000 0.528 68 K N 0.853 121.251 120.400 -0.004 0.000 2.401 68 K HA 0.111 4.431 4.320 -0.000 0.000 0.278 68 K C -0.433 176.198 176.600 0.052 0.000 1.018 68 K CA -0.318 55.993 56.287 0.041 0.000 0.981 68 K CB 0.637 33.154 32.500 0.028 0.000 0.933 68 K HN -0.051 nan 8.250 nan 0.000 0.477 69 L N 3.852 125.113 121.223 0.063 0.000 2.480 69 L HA 0.094 4.434 4.340 -0.000 0.000 0.243 69 L C -0.421 176.524 176.870 0.124 0.000 1.315 69 L CA 0.148 55.012 54.840 0.039 0.000 1.231 69 L CB -0.504 41.500 42.059 -0.091 0.000 1.444 69 L HN 0.584 nan 8.230 nan 0.000 0.409 70 c N 1.651 120.321 118.600 0.117 0.000 2.571 70 c HA 0.776 5.346 4.570 -0.000 0.000 0.343 70 c C 0.355 174.493 174.090 0.081 0.000 1.082 70 c CA 0.034 56.432 56.329 0.115 0.000 1.339 70 c CB 0.149 42.706 42.510 0.078 0.000 1.893 70 c HN 0.845 nan 8.230 nan 0.000 0.445 71 T N 2.217 116.817 114.554 0.076 0.000 2.696 71 T HA 0.500 4.850 4.350 -0.000 0.000 0.291 71 T C 0.902 175.556 174.700 -0.077 0.000 1.095 71 T CA -0.726 61.378 62.100 0.006 0.000 1.026 71 T CB 1.033 69.918 68.868 0.028 0.000 1.390 71 T HN 0.545 nan 8.240 nan 0.000 0.513 72 R N 0.153 120.587 120.500 -0.111 0.000 2.237 72 R HA 0.062 4.402 4.340 -0.000 0.000 0.219 72 R C 2.341 178.485 176.300 -0.259 0.000 1.080 72 R CA 1.102 57.116 56.100 -0.143 0.000 0.995 72 R CB -0.393 29.834 30.300 -0.122 0.000 0.875 72 R HN 0.527 nan 8.270 nan 0.000 0.462 73 S N -0.489 114.945 115.700 -0.443 0.000 2.428 73 S HA 0.108 4.578 4.470 -0.000 0.000 0.230 73 S C 0.785 174.795 174.600 -0.982 0.000 1.014 73 S CA 0.836 58.489 58.200 -0.912 0.000 0.957 73 S CB 0.474 62.596 63.200 -1.797 0.000 0.784 73 S HN 0.645 nan 8.310 nan 0.000 0.499 74 G N 0.288 108.774 108.800 -0.522 0.000 2.368 74 G HA2 0.109 4.069 3.960 -0.000 0.000 0.302 74 G HA3 0.109 4.069 3.960 -0.000 0.000 0.302 74 G C -1.398 173.629 174.900 0.212 0.000 1.329 74 G CA -1.028 43.999 45.100 -0.123 0.000 0.935 74 G HN 0.261 nan 8.290 nan 0.000 0.590 75 N N -0.872 117.997 118.700 0.280 0.000 2.491 75 N HA 0.354 5.094 4.740 -0.000 0.000 0.279 75 N C 1.231 176.945 175.510 0.340 0.000 1.236 75 N CA -0.159 53.046 53.050 0.258 0.000 0.982 75 N CB 1.658 40.243 38.487 0.163 0.000 1.194 75 N HN 0.732 nan 8.380 nan 0.000 0.582 76 E N 0.628 120.967 120.200 0.231 0.000 2.118 76 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 76 E C 1.371 178.113 176.600 0.238 0.000 0.992 76 E CA 1.461 57.991 56.400 0.216 0.000 0.804 76 E CB 0.003 29.786 29.700 0.138 0.000 0.741 76 E HN 0.582 nan 8.360 nan 0.000 0.458 77 N N 1.027 119.842 118.700 0.191 0.000 2.043 77 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 77 N C 1.454 177.068 175.510 0.173 0.000 1.037 77 N CA 1.986 55.130 53.050 0.156 0.000 0.851 77 N CB -0.696 37.867 38.487 0.127 0.000 1.027 77 N HN 0.355 nan 8.380 nan 0.000 0.422 78 E N -0.578 119.764 120.200 0.237 0.000 2.150 78 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 78 E C 1.674 178.421 176.600 0.245 0.000 0.985 78 E CA 0.577 57.137 56.400 0.267 0.000 0.814 78 E CB -0.302 29.608 29.700 0.351 0.000 0.752 78 E HN 0.344 nan 8.360 nan 0.000 0.466 79 F N 1.905 121.903 119.950 0.080 0.000 2.113 79 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 79 F C 2.199 177.871 175.800 -0.214 0.000 1.103 79 F CA 1.428 59.221 58.000 -0.345 0.000 1.248 79 F CB 0.107 38.877 39.000 -0.382 0.000 0.999 79 F HN -0.216 nan 8.300 nan 0.000 0.475 80 R N -0.051 120.475 120.500 0.044 0.000 2.073 80 R HA -0.195 4.144 4.340 -0.000 0.000 0.234 80 R C 1.966 178.214 176.300 -0.086 0.000 1.134 80 R CA 1.771 57.864 56.100 -0.012 0.000 0.952 80 R CB -0.820 29.539 30.300 0.099 0.000 0.850 80 R HN 0.300 nan 8.270 nan 0.000 0.433 81 D N 0.551 120.935 120.400 -0.027 0.000 2.123 81 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 81 D C 1.904 178.148 176.300 -0.094 0.000 0.992 81 D CA 1.286 55.275 54.000 -0.019 0.000 0.833 81 D CB 0.027 40.847 40.800 0.034 0.000 0.954 81 D HN 0.107 nan 8.370 nan 0.000 0.455 82 M N -0.369 119.130 119.600 -0.168 0.000 2.086 82 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 82 M C 1.838 177.920 176.300 -0.364 0.000 1.067 82 M CA 1.345 56.505 55.300 -0.233 0.000 1.116 82 M CB -0.084 32.347 32.600 -0.283 0.000 1.348 82 M HN -0.022 nan 8.290 nan 0.000 0.407 83 V N 0.566 120.154 119.914 -0.542 0.000 2.343 83 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 83 V C 2.338 178.124 176.094 -0.512 0.000 1.051 83 V CA 2.333 64.292 62.300 -0.569 0.000 1.036 83 V CB -1.257 30.200 31.823 -0.611 0.000 0.654 83 V HN 0.594 nan 8.190 nan 0.000 0.451 84 T N -0.322 114.042 114.554 -0.318 0.000 2.674 84 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 84 T C 2.093 176.707 174.700 -0.142 0.000 1.039 84 T CA 1.633 63.636 62.100 -0.162 0.000 1.150 84 T CB -0.231 68.695 68.868 0.097 0.000 0.864 84 T HN 0.414 nan 8.240 nan 0.000 0.427 85 R N 0.015 120.448 120.500 -0.111 0.000 2.096 85 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 85 R C 2.773 179.001 176.300 -0.120 0.000 1.127 85 R CA 1.279 57.337 56.100 -0.071 0.000 0.968 85 R CB -0.685 29.590 30.300 -0.042 0.000 0.861 85 R HN 0.381 nan 8.270 nan 0.000 0.440 86 c N 0.546 119.025 118.600 -0.202 0.000 2.453 86 c HA -0.001 4.569 4.570 -0.000 0.000 0.277 86 c C 2.309 176.232 174.090 -0.279 0.000 1.262 86 c CA 0.373 56.578 56.329 -0.208 0.000 1.718 86 c CB -0.919 41.450 42.510 -0.236 0.000 2.031 86 c HN 0.512 nan 8.230 nan 0.000 0.480 87 N N 1.673 120.076 118.700 -0.497 0.000 2.149 87 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 87 N C 1.298 176.587 175.510 -0.369 0.000 1.019 87 N CA 1.164 53.786 53.050 -0.713 0.000 0.857 87 N CB -0.655 36.774 38.487 -1.762 0.000 0.997 87 N HN 0.514 nan 8.380 nan 0.000 0.426 88 N N 0.426 119.042 118.700 -0.140 0.000 2.364 88 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 88 N C 1.280 176.802 175.510 0.020 0.000 1.022 88 N CA 0.589 53.689 53.050 0.083 0.000 0.883 88 N CB 0.042 38.606 38.487 0.127 0.000 0.965 88 N HN 0.268 nan 8.380 nan 0.000 0.438 89 V N -4.255 115.639 119.914 -0.034 0.000 3.177 89 V HA 0.562 4.682 4.120 -0.000 0.000 0.342 89 V C 1.037 177.115 176.094 -0.026 0.000 1.379 89 V CA 0.035 62.327 62.300 -0.013 0.000 1.191 89 V CB -0.077 31.745 31.823 -0.001 0.000 1.167 89 V HN 0.162 nan 8.190 nan 0.000 0.471 90 G N 0.256 109.018 108.800 -0.063 0.000 2.147 90 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 90 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 90 G C -0.076 174.787 174.900 -0.061 0.000 1.005 90 G CA 0.173 45.232 45.100 -0.068 0.000 0.713 90 G HN 0.999 nan 8.290 nan 0.000 0.515 91 V N 2.169 122.029 119.914 -0.091 0.000 2.378 91 V HA 0.526 4.646 4.120 -0.000 0.000 0.288 91 V C 0.697 176.715 176.094 -0.128 0.000 1.016 91 V CA -1.300 60.969 62.300 -0.052 0.000 0.840 91 V CB 1.381 33.187 31.823 -0.027 0.000 0.994 91 V HN 0.381 nan 8.190 nan 0.000 0.431 92 R N 4.411 124.865 120.500 -0.076 0.000 2.637 92 R HA 0.580 4.920 4.340 -0.000 0.000 0.269 92 R C -0.612 175.514 176.300 -0.290 0.000 1.089 92 R CA -0.408 55.561 56.100 -0.218 0.000 1.177 92 R CB 1.282 31.439 30.300 -0.238 0.000 1.091 92 R HN 0.530 nan 8.270 nan 0.000 0.540 93 I N 1.976 122.253 120.570 -0.490 0.000 2.406 93 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 93 I C -0.933 174.831 176.117 -0.588 0.000 0.999 93 I CA -0.831 60.230 61.300 -0.399 0.000 1.124 93 I CB 1.262 39.019 38.000 -0.406 0.000 1.289 93 I HN 0.363 nan 8.210 nan 0.000 0.441 94 Y N 4.846 125.128 120.300 -0.030 0.000 2.350 94 Y HA 0.437 4.987 4.550 -0.000 0.000 0.338 94 Y C -0.014 175.884 175.900 -0.004 0.000 0.961 94 Y CA -0.871 57.214 58.100 -0.025 0.000 1.100 94 Y CB 1.970 40.554 38.460 0.206 0.000 1.179 94 Y HN 0.163 nan 8.280 nan 0.000 0.454 95 V N 3.202 123.127 119.914 0.018 0.000 2.439 95 V HA 0.104 4.224 4.120 -0.000 0.000 0.282 95 V C -0.208 176.015 176.094 0.215 0.000 1.039 95 V CA -0.695 61.700 62.300 0.158 0.000 0.913 95 V CB 1.429 33.370 31.823 0.196 0.000 0.983 95 V HN 0.665 nan 8.190 nan 0.000 0.460 96 D N 4.494 125.018 120.400 0.207 0.000 2.374 96 D HA 0.302 4.942 4.640 -0.000 0.000 0.240 96 D C 0.137 176.555 176.300 0.197 0.000 1.229 96 D CA -0.069 54.034 54.000 0.172 0.000 0.895 96 D CB 1.121 42.052 40.800 0.219 0.000 1.046 96 D HN 0.665 nan 8.370 nan 0.000 0.498 97 A N 4.247 127.159 122.820 0.154 0.000 2.316 97 A HA 0.383 4.703 4.320 -0.000 0.000 0.311 97 A C -0.111 177.535 177.584 0.103 0.000 1.339 97 A CA -0.649 51.466 52.037 0.130 0.000 0.960 97 A CB 0.482 19.448 19.000 -0.057 0.000 1.152 97 A HN 0.374 nan 8.150 nan 0.000 0.547 98 V N 5.519 125.508 119.914 0.124 0.000 2.284 98 V HA 0.184 4.304 4.120 -0.000 0.000 0.260 98 V C 0.874 176.943 176.094 -0.042 0.000 1.084 98 V CA 0.264 62.584 62.300 0.033 0.000 0.894 98 V CB -0.252 31.590 31.823 0.032 0.000 1.119 98 V HN 0.882 nan 8.190 nan 0.000 0.484 99 I N 0.808 121.335 120.570 -0.071 0.000 4.240 99 I HA 0.335 4.505 4.170 -0.000 0.000 0.331 99 I C 1.518 177.588 176.117 -0.078 0.000 1.381 99 I CA 0.260 61.530 61.300 -0.050 0.000 1.136 99 I CB 0.208 38.179 38.000 -0.048 0.000 1.137 99 I HN 0.477 nan 8.210 nan 0.000 0.411 100 N N 1.604 120.231 118.700 -0.121 0.000 2.354 100 N HA -0.071 4.669 4.740 -0.000 0.000 0.179 100 N C 0.344 175.893 175.510 0.064 0.000 1.021 100 N CA 1.222 54.283 53.050 0.018 0.000 0.887 100 N CB 0.023 38.627 38.487 0.195 0.000 0.974 100 N HN 0.788 nan 8.380 nan 0.000 0.437 101 H N -4.177 114.924 119.070 0.051 0.000 2.960 101 H HA 0.493 5.049 4.556 -0.000 0.000 0.323 101 H C -0.618 174.719 175.328 0.014 0.000 1.326 101 H CA -1.095 54.982 56.048 0.048 0.000 1.124 101 H CB 0.570 30.361 29.762 0.048 0.000 1.853 101 H HN -0.258 nan 8.280 nan 0.000 0.536 102 M N 0.405 120.095 119.600 0.150 0.000 2.492 102 M HA 0.389 4.869 4.480 -0.000 0.000 0.238 102 M C 0.756 177.110 176.300 0.089 0.000 0.928 102 M CA -0.897 54.347 55.300 -0.094 0.000 1.392 102 M CB 0.575 32.819 32.600 -0.593 0.000 1.317 102 M HN 0.957 nan 8.290 nan 0.000 0.739 103 C N -0.008 119.321 119.300 0.048 0.000 2.640 103 C HA 0.704 5.164 4.460 -0.000 0.000 0.330 103 C C 1.042 176.096 174.990 0.107 0.000 1.416 103 C CA -0.925 58.178 59.018 0.142 0.000 2.396 103 C CB -0.899 26.949 27.740 0.179 0.000 2.330 103 C HN 0.849 nan 8.230 nan 0.000 0.704 104 G N 0.780 109.622 108.800 0.070 0.000 2.432 104 G HA2 0.357 4.317 3.960 -0.000 0.000 0.239 104 G HA3 0.357 4.317 3.960 -0.000 0.000 0.239 104 G C 0.973 175.879 174.900 0.010 0.000 1.291 104 G CA 0.391 45.499 45.100 0.014 0.000 0.863 104 G HN 1.559 nan 8.290 nan 0.000 0.560 105 S N 1.288 116.973 115.700 -0.025 0.000 2.419 105 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 105 S C 2.176 176.750 174.600 -0.043 0.000 1.019 105 S CA 1.277 59.452 58.200 -0.043 0.000 0.982 105 S CB -0.153 63.013 63.200 -0.056 0.000 0.789 105 S HN 0.889 nan 8.310 nan 0.000 0.490 106 G N 0.858 109.637 108.800 -0.035 0.000 2.985 106 G HA2 0.498 4.458 3.960 -0.000 0.000 0.209 106 G HA3 0.498 4.458 3.960 -0.000 0.000 0.209 106 G C 0.439 175.320 174.900 -0.032 0.000 1.165 106 G CA 0.081 45.160 45.100 -0.036 0.000 0.776 106 G HN 0.819 nan 8.290 nan 0.000 0.541 107 A N 0.395 123.202 122.820 -0.022 0.000 2.483 107 A HA 0.607 4.927 4.320 -0.000 0.000 0.238 107 A C 0.905 178.454 177.584 -0.059 0.000 1.070 107 A CA 0.345 52.368 52.037 -0.022 0.000 0.770 107 A CB 0.218 19.222 19.000 0.006 0.000 1.008 107 A HN 0.950 nan 8.150 nan 0.000 0.497 108 A N 1.580 124.363 122.820 -0.062 0.000 2.440 108 A HA 0.555 4.875 4.320 -0.000 0.000 0.251 108 A C 0.847 178.350 177.584 -0.136 0.000 1.089 108 A CA 0.205 52.193 52.037 -0.081 0.000 0.779 108 A CB -0.218 18.746 19.000 -0.059 0.000 1.022 108 A HN 2.165 nan 8.150 nan 0.000 0.492 109 A N 1.688 124.416 122.820 -0.153 0.000 2.462 109 A HA 0.644 4.964 4.320 -0.000 0.000 0.243 109 A C 0.987 178.439 177.584 -0.220 0.000 1.076 109 A CA 0.768 52.648 52.037 -0.260 0.000 0.773 109 A CB -0.218 18.686 19.000 -0.159 0.000 1.010 109 A HN 2.703 nan 8.150 nan 0.000 0.493 110 G N -0.039 108.501 108.800 -0.434 0.000 2.302 110 G HA2 0.368 4.328 3.960 -0.000 0.000 0.264 110 G HA3 0.368 4.328 3.960 -0.000 0.000 0.264 110 G C 0.082 174.885 174.900 -0.161 0.000 1.335 110 G CA 0.461 45.477 45.100 -0.139 0.000 0.982 110 G HN 1.699 nan 8.290 nan 0.000 0.473 111 T N -1.944 112.610 114.554 -0.000 0.000 3.269 111 T HA 0.516 4.866 4.350 -0.000 0.000 0.269 111 T C 1.094 175.789 174.700 -0.008 0.000 0.993 111 T CA 1.040 63.149 62.100 0.015 0.000 0.909 111 T CB 0.538 69.453 68.868 0.078 0.000 1.115 111 T HN 1.699 nan 8.240 nan 0.000 0.543 112 G N 2.440 111.219 108.800 -0.034 0.000 3.213 112 G HA2 0.455 4.415 3.960 -0.000 0.000 0.263 112 G HA3 0.455 4.415 3.960 -0.000 0.000 0.263 112 G C 0.139 175.025 174.900 -0.024 0.000 0.829 112 G CA -0.300 44.784 45.100 -0.027 0.000 1.983 112 G HN 0.679 nan 8.290 nan 0.000 0.616 113 T N -3.015 111.531 114.554 -0.013 0.000 2.883 113 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 113 T C 1.360 176.059 174.700 -0.002 0.000 1.117 113 T CA 0.087 62.184 62.100 -0.005 0.000 1.006 113 T CB 1.581 70.450 68.868 0.001 0.000 1.191 113 T HN 0.164 nan 8.240 nan 0.000 0.508 114 T N -2.574 111.980 114.554 -0.001 0.000 3.051 114 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 114 T C 1.417 176.121 174.700 0.008 0.000 1.127 114 T CA 0.725 62.823 62.100 -0.003 0.000 1.107 114 T CB -0.599 68.265 68.868 -0.007 0.000 0.898 114 T HN 0.671 nan 8.240 nan 0.000 0.517 115 c N 0.582 119.191 118.600 0.015 0.000 3.385 115 c HA 0.676 5.246 4.570 -0.000 0.000 0.288 115 c C 2.057 176.163 174.090 0.027 0.000 1.429 115 c CA -0.070 56.274 56.329 0.025 0.000 1.778 115 c CB -0.977 41.552 42.510 0.031 0.000 2.503 115 c HN 0.891 nan 8.230 nan 0.000 0.646 116 G N 1.500 110.314 108.800 0.024 0.000 2.179 116 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 116 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 116 G C 0.233 175.163 174.900 0.050 0.000 0.977 116 G CA 0.579 45.698 45.100 0.032 0.000 0.641 116 G HN 0.578 nan 8.290 nan 0.000 0.533 117 S N -0.452 115.277 115.700 0.048 0.000 2.573 117 S HA 0.438 4.908 4.470 -0.000 0.000 0.277 117 S C 0.012 174.665 174.600 0.087 0.000 1.346 117 S CA -0.209 58.034 58.200 0.072 0.000 1.034 117 S CB 0.919 64.153 63.200 0.057 0.000 0.879 117 S HN 0.564 nan 8.310 nan 0.000 0.528 118 Y N 1.717 122.015 120.300 -0.004 0.000 2.307 118 Y HA 0.501 5.051 4.550 -0.000 0.000 0.324 118 Y C 0.161 176.030 175.900 -0.051 0.000 1.238 118 Y CA -0.764 57.320 58.100 -0.027 0.000 1.280 118 Y CB 0.564 39.005 38.460 -0.033 0.000 1.248 118 Y HN 0.904 nan 8.280 nan 0.000 0.508 119 C N 4.183 122.915 119.300 -0.946 0.000 3.285 119 C HA 0.535 4.995 4.460 -0.000 0.000 0.325 119 C C -1.490 172.874 174.990 -1.045 0.000 1.304 119 C CA -1.087 57.455 59.018 -0.794 0.000 1.319 119 C CB 1.564 28.994 27.740 -0.516 0.000 1.640 119 C HN 0.896 nan 8.230 nan 0.000 0.477 120 N N 1.619 119.859 118.700 -0.767 0.000 2.762 120 N HA 0.410 5.150 4.740 -0.000 0.000 0.252 120 N C -2.084 173.140 175.510 -0.476 0.000 1.269 120 N CA -1.616 51.140 53.050 -0.489 0.000 0.799 120 N CB 1.474 39.843 38.487 -0.197 0.000 1.173 120 N HN 0.476 nan 8.380 nan 0.000 0.516 121 P HA -0.084 nan 4.420 nan 0.000 0.216 121 P C 1.315 178.503 177.300 -0.187 0.000 1.154 121 P CA 1.376 64.316 63.100 -0.266 0.000 0.865 121 P CB 0.182 31.819 31.700 -0.104 0.000 0.789 122 G N -1.228 107.480 108.800 -0.153 0.000 2.442 122 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 122 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 122 G C 1.483 176.319 174.900 -0.107 0.000 1.141 122 G CA 0.797 45.831 45.100 -0.110 0.000 0.763 122 G HN 0.247 nan 8.290 nan 0.000 0.554 123 S N -0.384 115.243 115.700 -0.121 0.000 2.597 123 S HA 0.248 4.718 4.470 -0.000 0.000 0.224 123 S C 0.843 175.391 174.600 -0.087 0.000 0.955 123 S CA -0.407 57.742 58.200 -0.086 0.000 0.933 123 S CB 0.143 63.306 63.200 -0.061 0.000 0.788 123 S HN 0.329 nan 8.310 nan 0.000 0.488 124 R N 1.780 122.184 120.500 -0.161 0.000 3.516 124 R HA -0.147 4.193 4.340 -0.000 0.000 0.271 124 R C -0.950 175.391 176.300 0.069 0.000 1.098 124 R CA 0.575 56.576 56.100 -0.165 0.000 0.732 124 R CB -2.249 27.942 30.300 -0.182 0.000 1.152 124 R HN 0.506 nan 8.270 nan 0.000 0.455 125 E N -0.046 120.034 120.200 -0.199 0.000 2.133 125 E HA 0.357 4.707 4.350 -0.000 0.000 0.274 125 E C -0.619 175.700 176.600 -0.468 0.000 0.930 125 E CA -0.467 55.868 56.400 -0.108 0.000 0.770 125 E CB 0.743 30.409 29.700 -0.058 0.000 1.104 125 E HN 0.064 nan 8.360 nan 0.000 0.403 126 F N 4.017 124.104 119.950 0.228 0.000 2.660 126 F HA 0.228 4.755 4.527 -0.000 0.000 0.352 126 F C -1.587 174.295 175.800 0.137 0.000 1.257 126 F CA -1.792 56.309 58.000 0.168 0.000 1.200 126 F CB 1.338 40.483 39.000 0.241 0.000 1.473 126 F HN 0.370 nan 8.300 nan 0.000 0.561 127 P HA -0.214 nan 4.420 nan 0.000 0.221 127 P C 1.341 178.714 177.300 0.123 0.000 1.145 127 P CA 1.289 64.486 63.100 0.162 0.000 0.795 127 P CB 0.310 32.099 31.700 0.148 0.000 0.775 128 A N -0.602 122.288 122.820 0.117 0.000 2.209 128 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 128 A C 2.224 179.809 177.584 0.002 0.000 1.158 128 A CA 0.861 52.934 52.037 0.060 0.000 0.742 128 A CB -1.079 17.951 19.000 0.050 0.000 0.790 128 A HN 0.095 nan 8.150 nan 0.000 0.472 129 V N 0.489 120.385 119.914 -0.029 0.000 2.326 129 V HA 0.042 4.162 4.120 -0.000 0.000 0.238 129 V C -1.397 174.645 176.094 -0.087 0.000 1.038 129 V CA 1.180 63.373 62.300 -0.177 0.000 1.032 129 V CB -0.845 30.637 31.823 -0.569 0.000 0.675 129 V HN 0.495 nan 8.190 nan 0.000 0.467 130 P HA 0.411 nan 4.420 nan 0.000 0.296 130 P C -2.014 175.403 177.300 0.195 0.000 1.310 130 P CA -0.231 62.931 63.100 0.103 0.000 0.900 130 P CB 1.748 33.550 31.700 0.170 0.000 1.111 131 Y N -0.594 119.930 120.300 0.374 0.000 2.499 131 Y HA 0.508 5.058 4.550 -0.000 0.000 0.347 131 Y C 0.625 176.801 175.900 0.459 0.000 0.987 131 Y CA -0.462 57.888 58.100 0.417 0.000 1.044 131 Y CB 2.503 41.180 38.460 0.361 0.000 1.245 131 Y HN 0.323 nan 8.280 nan 0.000 0.461 132 S N -0.119 115.962 115.700 0.634 0.000 2.740 132 S HA 0.643 5.113 4.470 -0.000 0.000 0.300 132 S C 0.863 175.803 174.600 0.566 0.000 1.147 132 S CA -0.228 58.240 58.200 0.446 0.000 0.871 132 S CB 1.562 64.854 63.200 0.153 0.000 1.173 132 S HN 0.799 nan 8.310 nan 0.000 0.510 133 A N 1.094 124.122 122.820 0.347 0.000 1.927 133 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 133 A C 1.681 179.573 177.584 0.513 0.000 1.185 133 A CA 2.385 54.649 52.037 0.378 0.000 0.639 133 A CB -1.043 18.044 19.000 0.146 0.000 0.820 133 A HN 0.965 nan 8.150 nan 0.000 0.451 134 W N 0.233 121.642 121.300 0.182 0.000 2.961 134 W HA 0.192 4.852 4.660 -0.000 0.000 0.240 134 W C -0.282 176.278 176.519 0.069 0.000 1.305 134 W CA 0.129 57.541 57.345 0.112 0.000 1.465 134 W CB -0.978 28.516 29.460 0.056 0.000 1.135 134 W HN 0.282 nan 8.180 nan 0.000 0.688 135 D N -0.184 120.447 120.400 0.385 0.000 2.340 135 D HA 0.091 4.731 4.640 -0.000 0.000 0.217 135 D C -0.460 175.565 176.300 -0.459 0.000 1.081 135 D CA 0.327 54.281 54.000 -0.076 0.000 0.842 135 D CB -0.151 40.591 40.800 -0.097 0.000 0.934 135 D HN 0.017 nan 8.370 nan 0.000 0.511 136 F N 0.183 120.185 119.950 0.087 0.000 2.575 136 F HA 0.313 4.840 4.527 -0.000 0.000 0.330 136 F C 1.455 177.293 175.800 0.064 0.000 1.056 136 F CA -1.039 56.987 58.000 0.044 0.000 0.964 136 F CB 0.863 39.903 39.000 0.066 0.000 1.258 136 F HN -0.373 nan 8.300 nan 0.000 0.484 137 N N 0.689 119.539 118.700 0.249 0.000 2.449 137 N HA -0.029 4.711 4.740 -0.000 0.000 0.191 137 N C 0.577 176.180 175.510 0.156 0.000 1.161 137 N CA 0.400 53.553 53.050 0.172 0.000 0.863 137 N CB -0.366 38.212 38.487 0.152 0.000 0.980 137 N HN 0.629 nan 8.380 nan 0.000 0.458 138 D N -0.155 120.346 120.400 0.169 0.000 2.158 138 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 138 D C 1.814 178.173 176.300 0.098 0.000 0.995 138 D CA 1.235 55.304 54.000 0.114 0.000 0.846 138 D CB -0.236 40.624 40.800 0.099 0.000 0.941 138 D HN 0.292 nan 8.370 nan 0.000 0.456 139 G N -0.222 108.644 108.800 0.111 0.000 2.920 139 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.208 139 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.208 139 G C 1.258 176.207 174.900 0.083 0.000 1.159 139 G CA 0.058 45.212 45.100 0.091 0.000 0.784 139 G HN 0.197 nan 8.290 nan 0.000 0.535 140 K N -0.688 119.770 120.400 0.096 0.000 2.391 140 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 140 K C 0.418 177.083 176.600 0.109 0.000 1.087 140 K CA -0.331 56.017 56.287 0.103 0.000 1.012 140 K CB 0.283 32.858 32.500 0.126 0.000 0.925 140 K HN 0.162 nan 8.250 nan 0.000 0.547 141 c N 2.177 120.834 118.600 0.096 0.000 2.514 141 c HA 0.309 4.879 4.570 -0.000 0.000 0.392 141 c C 0.719 174.844 174.090 0.058 0.000 1.294 141 c CA -0.336 56.043 56.329 0.083 0.000 1.957 141 c CB -0.006 42.545 42.510 0.068 0.000 2.541 141 c HN 0.405 nan 8.230 nan 0.000 0.569 142 K N 2.819 123.250 120.400 0.052 0.000 2.410 142 K HA 0.105 4.425 4.320 -0.000 0.000 0.200 142 K C 0.734 177.345 176.600 0.020 0.000 1.023 142 K CA 0.089 56.394 56.287 0.030 0.000 1.149 142 K CB 0.243 32.755 32.500 0.020 0.000 0.859 142 K HN 0.888 nan 8.250 nan 0.000 0.514 143 T N -2.844 111.721 114.554 0.018 0.000 2.875 143 T HA 0.430 4.780 4.350 -0.000 0.000 0.284 143 T C 1.228 175.932 174.700 0.007 0.000 0.995 143 T CA -0.720 61.385 62.100 0.008 0.000 1.060 143 T CB 1.962 70.828 68.868 -0.002 0.000 0.967 143 T HN 0.021 nan 8.240 nan 0.000 0.476 144 A N 2.283 125.105 122.820 0.004 0.000 2.015 144 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 144 A C 2.448 180.032 177.584 0.000 0.000 1.163 144 A CA 1.507 53.546 52.037 0.003 0.000 0.646 144 A CB -1.040 17.961 19.000 0.003 0.000 0.806 144 A HN 1.135 nan 8.150 nan 0.000 0.448 145 S N -2.235 113.464 115.700 -0.002 0.000 2.528 145 S HA 0.352 4.822 4.470 -0.000 0.000 0.219 145 S C 1.559 176.153 174.600 -0.009 0.000 0.985 145 S CA 1.150 59.346 58.200 -0.007 0.000 0.914 145 S CB -0.215 62.981 63.200 -0.008 0.000 0.776 145 S HN 1.852 nan 8.310 nan 0.000 0.526 146 G N 0.203 109.000 108.800 -0.005 0.000 2.205 146 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.261 146 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.261 146 G C 0.399 175.291 174.900 -0.014 0.000 0.980 146 G CA 0.045 45.144 45.100 -0.003 0.000 0.632 146 G HN 1.152 nan 8.290 nan 0.000 0.533 147 G N -0.911 107.873 108.800 -0.026 0.000 2.667 147 G HA2 0.668 4.628 3.960 -0.000 0.000 0.310 147 G HA3 0.668 4.628 3.960 -0.000 0.000 0.310 147 G C -0.044 174.810 174.900 -0.076 0.000 1.259 147 G CA -1.022 44.049 45.100 -0.048 0.000 1.019 147 G HN 0.603 nan 8.290 nan 0.000 0.496 148 I N 0.863 121.349 120.570 -0.141 0.000 2.436 148 I HA 0.115 4.285 4.170 -0.000 0.000 0.289 148 I C 0.832 176.831 176.117 -0.198 0.000 1.083 148 I CA 0.222 61.347 61.300 -0.292 0.000 1.372 148 I CB 1.110 38.711 38.000 -0.665 0.000 1.408 148 I HN 0.702 nan 8.210 nan 0.000 0.516 149 E N 2.896 123.023 120.200 -0.122 0.000 2.152 149 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 149 E C 0.539 177.169 176.600 0.051 0.000 0.934 149 E CA 0.237 56.636 56.400 -0.001 0.000 0.869 149 E CB 0.392 30.094 29.700 0.003 0.000 0.842 149 E HN 0.537 nan 8.360 nan 0.000 0.472 150 S N -0.210 115.490 115.700 0.001 0.000 2.438 150 S HA 0.189 4.659 4.470 -0.000 0.000 0.316 150 S C -0.270 174.342 174.600 0.021 0.000 1.084 150 S CA -0.572 57.668 58.200 0.067 0.000 1.107 150 S CB 0.261 63.490 63.200 0.047 0.000 0.981 150 S HN 0.186 nan 8.310 nan 0.000 0.466 151 Y N 3.710 124.020 120.300 0.017 0.000 2.502 151 Y HA 0.213 4.763 4.550 -0.000 0.000 0.295 151 Y C 1.678 177.579 175.900 0.001 0.000 1.193 151 Y CA -0.145 57.962 58.100 0.011 0.000 1.295 151 Y CB 0.152 38.618 38.460 0.011 0.000 1.059 151 Y HN 0.620 nan 8.280 nan 0.000 0.514 152 N N -0.309 118.458 118.700 0.113 0.000 2.299 152 N HA -0.046 4.694 4.740 -0.000 0.000 0.187 152 N C -0.381 175.160 175.510 0.052 0.000 1.099 152 N CA 0.425 53.519 53.050 0.073 0.000 0.867 152 N CB 0.286 38.814 38.487 0.068 0.000 0.974 152 N HN 0.241 nan 8.380 nan 0.000 0.477 153 D N 1.114 121.538 120.400 0.040 0.000 2.412 153 D HA 0.239 4.879 4.640 -0.000 0.000 0.224 153 D C -1.837 174.483 176.300 0.034 0.000 1.093 153 D CA -2.214 51.827 54.000 0.070 0.000 0.850 153 D CB 1.754 42.599 40.800 0.076 0.000 1.046 153 D HN -0.093 nan 8.370 nan 0.000 0.507 154 P HA -0.163 nan 4.420 nan 0.000 0.217 154 P C 0.730 177.870 177.300 -0.268 0.000 1.148 154 P CA 1.130 64.126 63.100 -0.174 0.000 0.828 154 P CB 0.040 31.633 31.700 -0.179 0.000 0.783 155 Y N 0.487 120.807 120.300 0.033 0.000 2.145 155 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 155 Y C 2.730 178.648 175.900 0.031 0.000 1.145 155 Y CA 1.684 59.876 58.100 0.153 0.000 1.148 155 Y CB -1.318 37.268 38.460 0.211 0.000 0.981 155 Y HN 0.116 nan 8.280 nan 0.000 0.507 156 Q N 0.400 120.279 119.800 0.132 0.000 2.230 156 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 156 Q C 1.964 177.916 176.000 -0.081 0.000 0.963 156 Q CA 1.745 57.564 55.803 0.026 0.000 0.866 156 Q CB -0.845 27.888 28.738 -0.009 0.000 0.931 156 Q HN 0.463 nan 8.270 nan 0.000 0.452 157 V N -1.292 118.534 119.914 -0.147 0.000 2.626 157 V HA -0.107 4.013 4.120 -0.000 0.000 0.252 157 V C 1.914 177.943 176.094 -0.109 0.000 1.067 157 V CA 1.592 63.794 62.300 -0.163 0.000 1.081 157 V CB -0.561 31.135 31.823 -0.211 0.000 0.686 157 V HN 0.222 nan 8.190 nan 0.000 0.468 158 R N -0.258 120.083 120.500 -0.265 0.000 2.225 158 R HA 0.163 4.503 4.340 -0.000 0.000 0.194 158 R C 1.435 177.687 176.300 -0.079 0.000 0.957 158 R CA 0.759 56.658 56.100 -0.335 0.000 1.042 158 R CB 0.053 29.710 30.300 -1.072 0.000 1.004 158 R HN 0.463 nan 8.270 nan 0.000 0.509 159 D N -0.642 119.780 120.400 0.038 0.000 2.389 159 D HA 0.082 4.722 4.640 -0.000 0.000 0.206 159 D C 0.286 176.644 176.300 0.098 0.000 1.055 159 D CA 0.304 54.392 54.000 0.147 0.000 0.856 159 D CB 0.371 41.324 40.800 0.254 0.000 0.957 159 D HN 0.078 nan 8.370 nan 0.000 0.509 160 c N 0.769 119.395 118.600 0.044 0.000 2.354 160 c HA 0.400 4.970 4.570 -0.000 0.000 0.381 160 c C 0.461 174.546 174.090 -0.009 0.000 1.240 160 c CA -0.897 55.442 56.329 0.017 0.000 2.089 160 c CB 1.147 43.646 42.510 -0.018 0.000 2.234 160 c HN 0.134 nan 8.230 nan 0.000 0.544 161 Q N 1.071 120.857 119.800 -0.023 0.000 2.286 161 Q HA 0.237 4.577 4.340 -0.000 0.000 0.267 161 Q C -0.439 175.490 176.000 -0.118 0.000 1.028 161 Q CA 0.146 55.917 55.803 -0.053 0.000 0.901 161 Q CB 0.490 29.201 28.738 -0.044 0.000 1.183 161 Q HN 0.547 nan 8.270 nan 0.000 0.392 162 L N 5.065 126.171 121.223 -0.195 0.000 2.485 162 L HA 0.006 4.346 4.340 -0.000 0.000 0.279 162 L C 0.276 177.025 176.870 -0.203 0.000 1.124 162 L CA -0.200 54.469 54.840 -0.285 0.000 0.888 162 L CB 0.166 41.900 42.059 -0.542 0.000 1.217 162 L HN 0.786 nan 8.230 nan 0.000 0.464 163 V N 2.541 122.389 119.914 -0.111 0.000 5.257 163 V HA -0.285 3.835 4.120 -0.000 0.000 0.265 163 V C 1.084 177.107 176.094 -0.117 0.000 0.646 163 V CA 0.930 63.173 62.300 -0.094 0.000 0.650 163 V CB -2.603 29.158 31.823 -0.104 0.000 0.424 163 V HN 1.374 nan 8.190 nan 0.000 0.862 164 G N -0.342 108.398 108.800 -0.100 0.000 2.179 164 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 164 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 164 G C 0.084 174.929 174.900 -0.091 0.000 0.977 164 G CA 0.121 45.169 45.100 -0.086 0.000 0.641 164 G HN 1.354 nan 8.290 nan 0.000 0.533 165 L N 1.415 122.553 121.223 -0.142 0.000 2.500 165 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 165 L C 1.316 178.168 176.870 -0.031 0.000 1.149 165 L CA -0.433 54.319 54.840 -0.148 0.000 0.897 165 L CB 0.500 42.290 42.059 -0.450 0.000 1.178 165 L HN 0.114 nan 8.230 nan 0.000 0.473 166 L N 3.739 124.975 121.223 0.021 0.000 2.584 166 L HA -0.062 4.278 4.340 -0.000 0.000 0.272 166 L C 0.318 177.341 176.870 0.254 0.000 1.195 166 L CA 0.243 55.102 54.840 0.031 0.000 0.920 166 L CB -0.084 41.860 42.059 -0.191 0.000 1.173 166 L HN 0.553 nan 8.230 nan 0.000 0.489 167 D N 3.388 123.948 120.400 0.268 0.000 2.316 167 D HA 0.264 4.904 4.640 -0.000 0.000 0.245 167 D C -0.328 176.145 176.300 0.288 0.000 1.171 167 D CA -0.497 53.658 54.000 0.259 0.000 0.856 167 D CB 0.787 41.679 40.800 0.153 0.000 1.090 167 D HN 0.102 nan 8.370 nan 0.000 0.476 168 L N 2.754 124.026 121.223 0.081 0.000 2.456 168 L HA 0.289 4.628 4.340 -0.000 0.000 0.272 168 L C 0.457 177.252 176.870 -0.125 0.000 1.189 168 L CA -0.304 54.385 54.840 -0.251 0.000 0.846 168 L CB 0.402 42.259 42.059 -0.336 0.000 1.111 168 L HN 0.527 nan 8.230 nan 0.000 0.475 169 A N 5.188 127.891 122.820 -0.194 0.000 2.915 169 A HA 0.178 4.498 4.320 -0.000 0.000 0.292 169 A C 1.136 178.687 177.584 -0.054 0.000 1.632 169 A CA -0.340 51.659 52.037 -0.063 0.000 1.337 169 A CB -0.640 18.324 19.000 -0.060 0.000 1.111 169 A HN 0.694 nan 8.150 nan 0.000 0.569 170 L N 1.271 122.492 121.223 -0.003 0.000 2.633 170 L HA -0.097 4.243 4.340 -0.000 0.000 0.235 170 L C 2.420 179.302 176.870 0.020 0.000 1.163 170 L CA 1.694 56.541 54.840 0.012 0.000 0.859 170 L CB -0.607 41.488 42.059 0.059 0.000 0.973 170 L HN 0.905 nan 8.230 nan 0.000 0.451 171 E N 0.321 120.531 120.200 0.016 0.000 2.385 171 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 171 E C 0.345 176.928 176.600 -0.029 0.000 1.013 171 E CA 0.026 56.420 56.400 -0.010 0.000 0.866 171 E CB 0.085 29.771 29.700 -0.024 0.000 0.832 171 E HN 0.303 nan 8.360 nan 0.000 0.500 172 K N 1.649 122.030 120.400 -0.032 0.000 2.322 172 K HA 0.024 4.344 4.320 -0.000 0.000 0.283 172 K C 0.207 176.799 176.600 -0.012 0.000 1.042 172 K CA 0.200 56.466 56.287 -0.035 0.000 0.958 172 K CB 1.043 33.517 32.500 -0.044 0.000 0.984 172 K HN -0.080 nan 8.250 nan 0.000 0.473 173 D N 1.904 122.298 120.400 -0.009 0.000 2.178 173 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 173 D C 1.455 177.767 176.300 0.020 0.000 0.980 173 D CA 1.274 55.272 54.000 -0.004 0.000 0.842 173 D CB 0.059 40.857 40.800 -0.004 0.000 0.948 173 D HN 0.623 nan 8.370 nan 0.000 0.472 174 Y N 0.199 120.466 120.300 -0.056 0.000 2.181 174 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 174 Y C 2.031 177.951 175.900 0.034 0.000 1.146 174 Y CA 1.432 59.520 58.100 -0.020 0.000 1.164 174 Y CB -0.373 38.063 38.460 -0.041 0.000 0.982 174 Y HN -0.078 nan 8.280 nan 0.000 0.515 175 V N 0.294 120.242 119.914 0.057 0.000 2.379 175 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 175 V C 2.350 178.413 176.094 -0.051 0.000 1.044 175 V CA 2.157 64.475 62.300 0.030 0.000 1.036 175 V CB -0.582 31.226 31.823 -0.025 0.000 0.664 175 V HN 0.251 nan 8.190 nan 0.000 0.453 176 R N 0.224 120.688 120.500 -0.060 0.000 2.105 176 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 176 R C 2.530 178.758 176.300 -0.120 0.000 1.135 176 R CA 1.742 57.794 56.100 -0.079 0.000 0.967 176 R CB -0.459 29.806 30.300 -0.058 0.000 0.861 176 R HN 0.459 nan 8.270 nan 0.000 0.442 177 S N 0.062 115.679 115.700 -0.138 0.000 2.406 177 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 177 S C 1.676 176.145 174.600 -0.219 0.000 1.020 177 S CA 0.933 59.036 58.200 -0.162 0.000 0.965 177 S CB -0.096 63.022 63.200 -0.138 0.000 0.798 177 S HN 0.155 nan 8.310 nan 0.000 0.488 178 M N 1.812 121.240 119.600 -0.286 0.000 2.132 178 M HA 0.084 4.564 4.480 -0.000 0.000 0.263 178 M C 1.645 177.770 176.300 -0.292 0.000 1.065 178 M CA 1.426 56.550 55.300 -0.295 0.000 1.122 178 M CB -0.602 31.810 32.600 -0.314 0.000 1.365 178 M HN 0.251 nan 8.290 nan 0.000 0.411 179 I N -0.542 119.876 120.570 -0.254 0.000 2.202 179 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 179 I C 2.349 178.290 176.117 -0.294 0.000 1.091 179 I CA 1.122 62.220 61.300 -0.337 0.000 1.368 179 I CB -0.788 37.092 38.000 -0.200 0.000 1.058 179 I HN 0.332 nan 8.210 nan 0.000 0.410 180 A N 0.508 123.182 122.820 -0.244 0.000 1.940 180 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 180 A C 1.916 179.343 177.584 -0.263 0.000 1.176 180 A CA 2.105 53.989 52.037 -0.254 0.000 0.631 180 A CB -0.600 18.279 19.000 -0.200 0.000 0.814 180 A HN 0.345 nan 8.150 nan 0.000 0.446 181 D N -1.709 118.561 120.400 -0.217 0.000 2.117 181 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 181 D C 1.657 177.868 176.300 -0.147 0.000 0.987 181 D CA 1.608 55.506 54.000 -0.170 0.000 0.829 181 D CB -0.450 40.275 40.800 -0.125 0.000 0.961 181 D HN 0.720 nan 8.370 nan 0.000 0.460 182 Y N 1.131 121.225 120.300 -0.343 0.000 2.163 182 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 182 Y C 2.131 177.873 175.900 -0.262 0.000 1.136 182 Y CA 1.236 59.131 58.100 -0.342 0.000 1.147 182 Y CB -0.199 37.859 38.460 -0.671 0.000 0.987 182 Y HN -0.106 nan 8.280 nan 0.000 0.509 183 L N 0.502 121.392 121.223 -0.555 0.000 2.093 183 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 183 L C 2.022 178.725 176.870 -0.277 0.000 1.085 183 L CA 1.124 55.591 54.840 -0.622 0.000 0.755 183 L CB -0.657 40.943 42.059 -0.765 0.000 0.904 183 L HN 0.325 nan 8.230 nan 0.000 0.435 184 N N 0.334 118.859 118.700 -0.291 0.000 2.270 184 N HA -0.168 4.571 4.740 -0.000 0.000 0.181 184 N C 1.762 177.202 175.510 -0.117 0.000 1.016 184 N CA 0.934 53.820 53.050 -0.273 0.000 0.870 184 N CB -0.055 38.085 38.487 -0.578 0.000 0.979 184 N HN 0.343 nan 8.380 nan 0.000 0.431 185 K N 0.640 120.975 120.400 -0.108 0.000 2.057 185 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 185 K C 1.554 178.149 176.600 -0.009 0.000 1.049 185 K CA 0.894 57.165 56.287 -0.027 0.000 0.931 185 K CB 0.036 32.530 32.500 -0.010 0.000 0.714 185 K HN -0.075 nan 8.250 nan 0.000 0.440 186 L N 1.362 122.540 121.223 -0.074 0.000 2.056 186 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 186 L C 2.208 179.101 176.870 0.038 0.000 1.078 186 L CA 1.443 56.281 54.840 -0.003 0.000 0.749 186 L CB -0.518 41.513 42.059 -0.047 0.000 0.901 186 L HN 0.230 nan 8.230 nan 0.000 0.433 187 I N -0.360 120.237 120.570 0.044 0.000 2.226 187 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 187 I C 1.923 178.086 176.117 0.076 0.000 1.100 187 I CA 1.200 62.514 61.300 0.024 0.000 1.374 187 I CB -0.376 37.651 38.000 0.046 0.000 1.057 187 I HN 0.261 nan 8.210 nan 0.000 0.413 188 D N 0.804 121.267 120.400 0.105 0.000 2.218 188 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 188 D C 2.168 178.565 176.300 0.161 0.000 0.976 188 D CA 1.180 55.264 54.000 0.141 0.000 0.853 188 D CB -0.136 40.746 40.800 0.137 0.000 0.939 188 D HN 0.363 nan 8.370 nan 0.000 0.481 189 I N -0.537 120.117 120.570 0.140 0.000 2.546 189 I HA -0.046 4.124 4.170 -0.000 0.000 0.255 189 I C 1.655 177.866 176.117 0.157 0.000 1.163 189 I CA 1.164 62.557 61.300 0.156 0.000 1.457 189 I CB 0.161 38.264 38.000 0.172 0.000 1.092 189 I HN 0.171 nan 8.210 nan 0.000 0.434 190 G N -0.100 108.769 108.800 0.115 0.000 2.370 190 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.174 190 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.174 190 G C 0.159 175.010 174.900 -0.081 0.000 1.002 190 G CA -0.439 44.706 45.100 0.075 0.000 0.730 190 G HN 0.022 nan 8.290 nan 0.000 0.497 191 V N 1.303 121.127 119.914 -0.150 0.000 2.763 191 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 191 V C 1.697 177.543 176.094 -0.413 0.000 1.059 191 V CA 1.153 63.263 62.300 -0.317 0.000 1.138 191 V CB 1.494 33.113 31.823 -0.340 0.000 0.940 191 V HN 0.791 nan 8.190 nan 0.000 0.489 192 A N 3.026 125.519 122.820 -0.546 0.000 2.195 192 A HA 0.643 4.963 4.320 -0.000 0.000 0.210 192 A C 0.941 178.271 177.584 -0.423 0.000 1.165 192 A CA 0.857 52.556 52.037 -0.564 0.000 0.806 192 A CB -0.015 18.715 19.000 -0.449 0.000 0.847 192 A HN 1.330 nan 8.150 nan 0.000 0.482 193 G N -2.065 106.404 108.800 -0.551 0.000 2.321 193 G HA2 0.479 4.439 3.960 -0.000 0.000 0.296 193 G HA3 0.479 4.439 3.960 -0.000 0.000 0.296 193 G C -1.540 172.949 174.900 -0.687 0.000 1.287 193 G CA -0.711 44.197 45.100 -0.319 0.000 0.846 193 G HN 0.224 nan 8.290 nan 0.000 0.508 194 F N -0.593 119.359 119.950 0.004 0.000 2.613 194 F HA 0.706 5.233 4.527 -0.000 0.000 0.310 194 F C 0.199 175.567 175.800 -0.721 0.000 1.085 194 F CA -0.898 56.972 58.000 -0.216 0.000 0.945 194 F CB 2.475 41.348 39.000 -0.212 0.000 1.298 194 F HN 0.509 nan 8.300 nan 0.000 0.455 195 R N 2.771 122.891 120.500 -0.633 0.000 2.229 195 R HA 0.603 4.943 4.340 -0.000 0.000 0.328 195 R C -1.320 174.756 176.300 -0.373 0.000 1.009 195 R CA -0.325 55.105 56.100 -1.116 0.000 0.864 195 R CB 0.520 30.373 30.300 -0.744 0.000 1.085 195 R HN 0.767 nan 8.270 nan 0.000 0.453 196 I N 4.533 124.923 120.570 -0.299 0.000 2.281 196 I HA 0.065 4.235 4.170 -0.000 0.000 0.293 196 I C 0.146 176.238 176.117 -0.042 0.000 1.085 196 I CA -0.540 60.686 61.300 -0.123 0.000 1.257 196 I CB 0.890 38.829 38.000 -0.102 0.000 1.430 196 I HN 0.660 nan 8.210 nan 0.000 0.489 197 D N 5.588 126.011 120.400 0.038 0.000 2.423 197 D HA 0.218 4.858 4.640 -0.000 0.000 0.238 197 D C 0.973 177.352 176.300 0.132 0.000 1.142 197 D CA 0.501 54.584 54.000 0.138 0.000 0.884 197 D CB 0.811 41.772 40.800 0.268 0.000 1.199 197 D HN 0.772 nan 8.370 nan 0.000 0.438 198 A N 2.550 125.471 122.820 0.168 0.000 2.704 198 A HA -0.247 4.073 4.320 -0.000 0.000 0.299 198 A C 1.806 179.463 177.584 0.122 0.000 1.507 198 A CA 1.220 53.391 52.037 0.224 0.000 0.776 198 A CB -2.056 17.149 19.000 0.341 0.000 1.027 198 A HN 0.447 nan 8.150 nan 0.000 0.475 199 S N -0.568 115.115 115.700 -0.028 0.000 2.399 199 S HA -0.161 4.308 4.470 -0.000 0.000 0.231 199 S C 1.843 176.285 174.600 -0.264 0.000 1.022 199 S CA 1.497 59.607 58.200 -0.150 0.000 0.983 199 S CB -0.149 62.869 63.200 -0.302 0.000 0.803 199 S HN 0.872 nan 8.310 nan 0.000 0.480 200 K N 0.685 120.867 120.400 -0.365 0.000 2.211 200 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 200 K C 0.899 177.236 176.600 -0.438 0.000 1.047 200 K CA 1.361 57.402 56.287 -0.410 0.000 0.935 200 K CB -0.137 32.076 32.500 -0.479 0.000 0.728 200 K HN 0.477 nan 8.250 nan 0.000 0.452 201 H N -0.696 118.335 119.070 -0.065 0.000 2.536 201 H HA 0.227 4.783 4.556 -0.000 0.000 0.276 201 H C -0.264 174.999 175.328 -0.109 0.000 1.019 201 H CA 0.073 56.069 56.048 -0.087 0.000 1.159 201 H CB 0.173 29.924 29.762 -0.018 0.000 1.373 201 H HN 0.056 nan 8.280 nan 0.000 0.584 202 M N -0.641 118.939 119.600 -0.033 0.000 2.572 202 M HA 0.218 4.698 4.480 -0.000 0.000 0.299 202 M C -1.198 175.078 176.300 -0.040 0.000 1.205 202 M CA -0.846 54.448 55.300 -0.010 0.000 0.876 202 M CB 2.356 35.014 32.600 0.096 0.000 1.728 202 M HN 0.126 nan 8.290 nan 0.000 0.458 203 W N 2.080 123.396 121.300 0.026 0.000 2.253 203 W HA 0.237 4.897 4.660 -0.000 0.000 0.322 203 W C -1.779 174.697 176.519 -0.072 0.000 1.342 203 W CA -0.939 56.372 57.345 -0.056 0.000 1.218 203 W CB -0.167 29.243 29.460 -0.084 0.000 1.205 203 W HN 0.478 nan 8.180 nan 0.000 0.551 204 P HA -0.220 nan 4.420 nan 0.000 0.217 204 P C 1.692 178.993 177.300 0.001 0.000 1.151 204 P CA 2.432 65.438 63.100 -0.157 0.000 0.849 204 P CB 0.109 31.544 31.700 -0.441 0.000 0.787 205 G N -0.787 108.035 108.800 0.037 0.000 2.422 205 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 205 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 205 G C 1.204 176.122 174.900 0.030 0.000 1.140 205 G CA 0.645 45.754 45.100 0.015 0.000 0.775 205 G HN 0.185 nan 8.290 nan 0.000 0.545 206 D N 0.554 121.004 120.400 0.083 0.000 2.149 206 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 206 D C 2.556 178.883 176.300 0.044 0.000 0.972 206 D CA 0.226 54.266 54.000 0.066 0.000 0.835 206 D CB -0.070 40.807 40.800 0.127 0.000 0.966 206 D HN 0.331 nan 8.370 nan 0.000 0.476 207 I N 0.639 121.250 120.570 0.069 0.000 2.179 207 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 207 I C 2.302 178.425 176.117 0.011 0.000 1.088 207 I CA 0.977 62.304 61.300 0.045 0.000 1.357 207 I CB -0.088 37.973 38.000 0.101 0.000 1.051 207 I HN -0.085 nan 8.210 nan 0.000 0.409 208 K N 1.568 121.978 120.400 0.018 0.000 2.063 208 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 208 K C 2.055 178.645 176.600 -0.017 0.000 1.048 208 K CA 1.779 58.066 56.287 -0.000 0.000 0.928 208 K CB -0.466 32.036 32.500 0.004 0.000 0.713 208 K HN 0.288 nan 8.250 nan 0.000 0.442 209 A N -0.115 122.695 122.820 -0.016 0.000 1.940 209 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 209 A C 2.296 179.854 177.584 -0.044 0.000 1.176 209 A CA 1.888 53.909 52.037 -0.027 0.000 0.631 209 A CB -0.654 18.331 19.000 -0.024 0.000 0.814 209 A HN 0.139 nan 8.150 nan 0.000 0.446 210 V N -0.517 119.365 119.914 -0.053 0.000 2.379 210 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 210 V C 2.412 178.444 176.094 -0.104 0.000 1.044 210 V CA 1.586 63.833 62.300 -0.089 0.000 1.036 210 V CB -0.678 31.081 31.823 -0.106 0.000 0.664 210 V HN 0.461 nan 8.190 nan 0.000 0.453 211 L N 0.131 121.303 121.223 -0.085 0.000 2.131 211 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 211 L C 1.982 178.816 176.870 -0.060 0.000 1.092 211 L CA 1.725 56.516 54.840 -0.082 0.000 0.759 211 L CB -1.061 40.962 42.059 -0.059 0.000 0.903 211 L HN 0.322 nan 8.230 nan 0.000 0.435 212 D N -0.517 119.856 120.400 -0.045 0.000 2.348 212 D HA -0.107 4.533 4.640 -0.000 0.000 0.216 212 D C 1.864 178.148 176.300 -0.027 0.000 0.970 212 D CA 0.694 54.677 54.000 -0.029 0.000 0.889 212 D CB 0.044 40.831 40.800 -0.021 0.000 0.912 212 D HN 0.331 nan 8.370 nan 0.000 0.524 213 K N -0.183 120.186 120.400 -0.050 0.000 2.426 213 K HA 0.148 4.468 4.320 -0.000 0.000 0.193 213 K C 0.526 177.082 176.600 -0.073 0.000 1.028 213 K CA -0.042 56.213 56.287 -0.053 0.000 1.047 213 K CB 0.587 33.036 32.500 -0.085 0.000 0.821 213 K HN 0.095 nan 8.250 nan 0.000 0.513 214 L N 1.595 122.772 121.223 -0.076 0.000 2.380 214 L HA 0.129 4.469 4.340 -0.000 0.000 0.273 214 L C 0.525 177.417 176.870 0.038 0.000 1.138 214 L CA -0.301 54.486 54.840 -0.089 0.000 0.832 214 L CB 0.358 42.378 42.059 -0.065 0.000 1.124 214 L HN 0.201 nan 8.230 nan 0.000 0.454 215 H N 1.453 120.509 119.070 -0.023 0.000 2.671 215 H HA 0.131 4.687 4.556 -0.000 0.000 0.372 215 H C -0.095 175.218 175.328 -0.025 0.000 1.227 215 H CA -0.996 55.041 56.048 -0.019 0.000 1.426 215 H CB 0.697 30.451 29.762 -0.012 0.000 1.480 215 H HN 0.545 nan 8.280 nan 0.000 0.611 216 N N 0.773 119.536 118.700 0.104 0.000 2.399 216 N HA 0.058 4.798 4.740 -0.000 0.000 0.250 216 N C 0.019 175.532 175.510 0.004 0.000 1.272 216 N CA -0.278 52.786 53.050 0.024 0.000 0.928 216 N CB 0.679 39.173 38.487 0.011 0.000 1.158 216 N HN 0.314 nan 8.380 nan 0.000 0.463 217 L N 0.977 122.142 121.223 -0.096 0.000 2.482 217 L HA 0.020 4.360 4.340 -0.000 0.000 0.273 217 L C 1.290 178.191 176.870 0.051 0.000 1.228 217 L CA -0.270 54.455 54.840 -0.192 0.000 0.827 217 L CB 0.070 41.675 42.059 -0.755 0.000 1.099 217 L HN 0.483 nan 8.230 nan 0.000 0.494 218 N N 1.120 119.936 118.700 0.194 0.000 2.414 218 N HA -0.073 4.667 4.740 -0.000 0.000 0.268 218 N C 0.939 176.657 175.510 0.348 0.000 1.286 218 N CA 0.282 53.513 53.050 0.301 0.000 0.896 218 N CB 1.006 39.758 38.487 0.441 0.000 1.093 218 N HN 0.672 nan 8.380 nan 0.000 0.480 219 T N 0.812 115.459 114.554 0.154 0.000 3.155 219 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 219 T C 1.130 175.812 174.700 -0.030 0.000 1.160 219 T CA 0.505 62.659 62.100 0.090 0.000 1.075 219 T CB -0.074 68.811 68.868 0.029 0.000 0.921 219 T HN 0.361 nan 8.240 nan 0.000 0.533 220 N N 0.121 118.734 118.700 -0.145 0.000 2.331 220 N HA 0.056 4.796 4.740 -0.000 0.000 0.180 220 N C 0.866 175.996 175.510 -0.634 0.000 1.019 220 N CA 0.859 53.598 53.050 -0.519 0.000 0.881 220 N CB -0.064 37.828 38.487 -0.993 0.000 0.972 220 N HN 0.602 nan 8.380 nan 0.000 0.435 221 W N -1.577 119.666 121.300 -0.095 0.000 2.782 221 W HA 0.331 4.991 4.660 -0.000 0.000 0.268 221 W C -0.522 175.691 176.519 -0.510 0.000 1.043 221 W CA -0.231 56.903 57.345 -0.352 0.000 1.387 221 W CB 0.111 29.223 29.460 -0.580 0.000 0.904 221 W HN -0.166 nan 8.180 nan 0.000 0.625 222 F N 2.025 122.077 119.950 0.171 0.000 2.538 222 F HA 0.496 5.023 4.527 0.000 0.000 0.325 222 F C -1.706 174.119 175.800 0.042 0.000 1.066 222 F CA -2.656 55.398 58.000 0.090 0.000 0.946 222 F CB 0.336 39.382 39.000 0.076 0.000 1.199 222 F HN -0.440 nan 8.300 nan 0.000 0.473 223 P HA 0.170 nan 4.420 nan 0.000 0.272 223 P C -0.797 176.567 177.300 0.106 0.000 1.230 223 P CA -0.319 62.849 63.100 0.113 0.000 0.788 223 P CB 0.658 32.408 31.700 0.083 0.000 0.949 224 A N 1.154 124.010 122.820 0.061 0.000 2.561 224 A HA 0.373 4.693 4.320 -0.000 0.000 0.234 224 A C 1.462 179.069 177.584 0.039 0.000 1.055 224 A CA 0.733 52.796 52.037 0.043 0.000 0.756 224 A CB -1.538 17.475 19.000 0.022 0.000 0.986 224 A HN 0.940 nan 8.150 nan 0.000 0.505 225 G N 1.498 110.315 108.800 0.028 0.000 2.198 225 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 225 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 225 G C 0.321 175.232 174.900 0.018 0.000 1.025 225 G CA 0.426 45.538 45.100 0.019 0.000 0.769 225 G HN 1.189 nan 8.290 nan 0.000 0.507 226 S N -0.459 115.252 115.700 0.018 0.000 2.513 226 S HA 0.604 5.074 4.470 -0.000 0.000 0.276 226 S C 0.541 175.110 174.600 -0.053 0.000 1.254 226 S CA -0.460 57.737 58.200 -0.006 0.000 1.053 226 S CB 1.567 64.773 63.200 0.009 0.000 0.958 226 S HN 0.539 nan 8.310 nan 0.000 0.491 227 R N 3.646 124.122 120.500 -0.041 0.000 2.404 227 R HA 0.417 4.757 4.340 -0.000 0.000 0.291 227 R C -2.479 173.790 176.300 -0.053 0.000 1.025 227 R CA -1.897 54.180 56.100 -0.038 0.000 0.991 227 R CB 0.497 30.785 30.300 -0.020 0.000 1.053 227 R HN 0.329 nan 8.270 nan 0.000 0.479 228 P HA -0.068 nan 4.420 nan 0.000 0.268 228 P C -0.702 176.661 177.300 0.106 0.000 1.205 228 P CA 0.149 63.238 63.100 -0.019 0.000 0.771 228 P CB 0.393 32.122 31.700 0.049 0.000 0.858 229 F N 3.538 123.477 119.950 -0.019 0.000 2.495 229 F HA 0.355 4.882 4.527 -0.000 0.000 0.365 229 F C -0.013 175.858 175.800 0.118 0.000 1.090 229 F CA -0.408 57.619 58.000 0.045 0.000 1.235 229 F CB 0.285 39.362 39.000 0.129 0.000 1.119 229 F HN 0.135 nan 8.300 nan 0.000 0.562 230 I N 7.895 128.291 120.570 -0.290 0.000 2.447 230 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 230 I C -1.261 174.616 176.117 -0.400 0.000 1.023 230 I CA -0.756 60.364 61.300 -0.300 0.000 1.083 230 I CB 1.671 39.599 38.000 -0.121 0.000 1.245 230 I HN 0.481 nan 8.210 nan 0.000 0.434 231 F N 3.236 122.877 119.950 -0.515 0.000 2.536 231 F HA 0.654 5.181 4.527 -0.000 0.000 0.322 231 F C -0.680 175.042 175.800 -0.130 0.000 1.144 231 F CA -0.819 56.973 58.000 -0.347 0.000 0.924 231 F CB 0.963 39.706 39.000 -0.429 0.000 1.181 231 F HN 0.333 nan 8.300 nan 0.000 0.438 232 Q N 2.719 122.550 119.800 0.051 0.000 2.256 232 Q HA 0.192 4.532 4.340 -0.000 0.000 0.254 232 Q C -0.544 175.486 176.000 0.052 0.000 0.916 232 Q CA -0.682 55.116 55.803 -0.008 0.000 0.932 232 Q CB 2.048 30.779 28.738 -0.012 0.000 1.207 232 Q HN 0.705 nan 8.270 nan 0.000 0.426 233 E N 2.997 123.218 120.200 0.035 0.000 2.129 233 E HA 0.228 4.578 4.350 -0.000 0.000 0.283 233 E C -1.398 175.220 176.600 0.030 0.000 1.080 233 E CA -0.219 56.270 56.400 0.147 0.000 0.867 233 E CB 0.554 30.352 29.700 0.163 0.000 1.056 233 E HN 0.315 nan 8.360 nan 0.000 0.404 234 V N 6.360 126.326 119.914 0.086 0.000 2.612 234 V HA 0.266 4.386 4.120 -0.000 0.000 0.301 234 V C -0.586 175.538 176.094 0.049 0.000 1.059 234 V CA -0.818 61.434 62.300 -0.080 0.000 0.886 234 V CB 1.584 33.260 31.823 -0.244 0.000 1.007 234 V HN 0.575 nan 8.190 nan 0.000 0.426 235 I N 4.309 124.793 120.570 -0.143 0.000 2.297 235 I HA 0.507 4.677 4.170 -0.000 0.000 0.291 235 I C -0.259 175.808 176.117 -0.082 0.000 1.033 235 I CA 0.297 61.445 61.300 -0.253 0.000 1.253 235 I CB 1.017 38.700 38.000 -0.527 0.000 1.396 235 I HN 0.592 nan 8.210 nan 0.000 0.476 236 D N 6.707 127.123 120.400 0.028 0.000 2.386 236 D HA 0.238 4.878 4.640 -0.000 0.000 0.247 236 D C -0.138 176.202 176.300 0.066 0.000 1.336 236 D CA -0.361 53.660 54.000 0.035 0.000 0.976 236 D CB 1.077 41.906 40.800 0.049 0.000 1.257 236 D HN 0.159 nan 8.370 nan 0.000 0.570 237 L N 2.478 123.731 121.223 0.050 0.000 2.611 237 L HA 0.486 4.826 4.340 -0.000 0.000 0.229 237 L C 1.126 178.040 176.870 0.073 0.000 1.137 237 L CA 0.548 55.430 54.840 0.070 0.000 0.901 237 L CB -1.152 40.946 42.059 0.064 0.000 1.098 237 L HN 0.733 nan 8.230 nan 0.000 0.456 238 G N -1.143 107.693 108.800 0.061 0.000 2.784 238 G HA2 0.232 4.192 3.960 -0.000 0.000 0.686 238 G HA3 0.232 4.192 3.960 -0.000 0.000 0.686 238 G C 0.498 175.421 174.900 0.038 0.000 1.156 238 G CA -0.313 44.821 45.100 0.056 0.000 0.757 238 G HN 0.527 nan 8.290 nan 0.000 0.642 239 G N 0.168 108.987 108.800 0.032 0.000 2.295 239 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.287 239 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.287 239 G C 0.221 175.135 174.900 0.022 0.000 1.055 239 G CA 1.563 46.678 45.100 0.024 0.000 0.922 239 G HN 1.061 nan 8.290 nan 0.000 0.503 240 E N -1.472 118.741 120.200 0.021 0.000 2.299 240 E HA 0.724 5.074 4.350 -0.000 0.000 0.260 240 E C 1.496 178.107 176.600 0.017 0.000 0.944 240 E CA -0.403 56.008 56.400 0.019 0.000 0.815 240 E CB 1.217 30.925 29.700 0.014 0.000 1.252 240 E HN 0.353 nan 8.360 nan 0.000 0.418 241 A N 1.328 124.160 122.820 0.020 0.000 1.902 241 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 241 A C 0.693 178.276 177.584 -0.002 0.000 1.181 241 A CA 1.227 53.273 52.037 0.015 0.000 0.623 241 A CB -0.139 18.875 19.000 0.022 0.000 0.818 241 A HN 0.379 nan 8.150 nan 0.000 0.443 242 I N -0.151 120.414 120.570 -0.008 0.000 2.404 242 I HA 0.319 4.489 4.170 -0.000 0.000 0.293 242 I C -0.243 175.884 176.117 0.016 0.000 0.992 242 I CA -0.249 61.047 61.300 -0.007 0.000 1.149 242 I CB 2.002 39.987 38.000 -0.025 0.000 1.315 242 I HN 0.073 nan 8.210 nan 0.000 0.446 243 K N 3.219 123.631 120.400 0.020 0.000 2.156 243 K HA 0.376 4.696 4.320 -0.000 0.000 0.254 243 K C 0.958 177.573 176.600 0.025 0.000 0.950 243 K CA -0.449 55.842 56.287 0.008 0.000 0.849 243 K CB 1.585 34.069 32.500 -0.026 0.000 1.100 243 K HN 0.662 nan 8.250 nan 0.000 0.434 244 S N 0.058 115.763 115.700 0.008 0.000 2.400 244 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 244 S C 1.852 176.243 174.600 -0.348 0.000 1.025 244 S CA 1.641 59.848 58.200 0.012 0.000 0.993 244 S CB -0.503 62.770 63.200 0.121 0.000 0.808 244 S HN 0.685 nan 8.310 nan 0.000 0.478 245 S N 2.103 117.403 115.700 -0.667 0.000 2.440 245 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 245 S C 1.530 175.690 174.600 -0.733 0.000 1.010 245 S CA 1.040 58.404 58.200 -1.393 0.000 0.972 245 S CB -0.687 62.134 63.200 -0.632 0.000 0.774 245 S HN 0.722 nan 8.310 nan 0.000 0.501 246 E N -0.009 119.988 120.200 -0.340 0.000 2.338 246 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 246 E C 0.611 176.961 176.600 -0.416 0.000 1.007 246 E CA 0.993 57.196 56.400 -0.327 0.000 0.849 246 E CB -0.244 29.235 29.700 -0.368 0.000 0.774 246 E HN 0.822 nan 8.360 nan 0.000 0.506 247 Y N -1.626 118.585 120.300 -0.148 0.000 2.467 247 Y HA 0.101 4.651 4.550 -0.000 0.000 0.250 247 Y C 1.151 177.185 175.900 0.223 0.000 1.155 247 Y CA -0.484 57.633 58.100 0.028 0.000 1.249 247 Y CB 0.360 38.848 38.460 0.046 0.000 1.146 247 Y HN -0.008 nan 8.280 nan 0.000 0.524 248 F N -0.127 119.950 119.950 0.212 0.000 2.333 248 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 248 F C 2.241 178.206 175.800 0.275 0.000 1.083 248 F CA 0.886 59.021 58.000 0.225 0.000 1.395 248 F CB -1.200 37.886 39.000 0.142 0.000 1.056 248 F HN 0.101 nan 8.300 nan 0.000 0.529 249 G N -0.578 108.436 108.800 0.356 0.000 2.534 249 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 249 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 249 G C 1.533 176.545 174.900 0.186 0.000 1.128 249 G CA 0.397 45.653 45.100 0.261 0.000 0.784 249 G HN 0.256 nan 8.290 nan 0.000 0.542 250 N N 0.347 119.153 118.700 0.177 0.000 2.388 250 N HA 0.240 4.980 4.740 -0.000 0.000 0.176 250 N C 1.109 176.600 175.510 -0.031 0.000 1.062 250 N CA 0.986 54.078 53.050 0.070 0.000 0.895 250 N CB 1.111 39.663 38.487 0.109 0.000 1.018 250 N HN 0.440 nan 8.380 nan 0.000 0.456 251 G N -0.282 108.552 108.800 0.057 0.000 2.351 251 G HA2 0.099 4.059 3.960 -0.000 0.000 0.279 251 G HA3 0.099 4.059 3.960 -0.000 0.000 0.279 251 G C -1.265 173.829 174.900 0.324 0.000 1.297 251 G CA -0.925 44.136 45.100 -0.065 0.000 0.886 251 G HN -0.032 nan 8.290 nan 0.000 0.493 252 R N -1.252 119.404 120.500 0.260 0.000 2.726 252 R HA 0.622 4.962 4.340 -0.000 0.000 0.272 252 R C -0.526 175.925 176.300 0.252 0.000 1.097 252 R CA -0.303 55.957 56.100 0.267 0.000 1.198 252 R CB 0.976 31.398 30.300 0.203 0.000 1.114 252 R HN 0.354 nan 8.270 nan 0.000 0.550 253 V N 0.202 120.275 119.914 0.265 0.000 2.841 253 V HA 0.165 4.285 4.120 -0.000 0.000 0.310 253 V C -0.115 176.125 176.094 0.243 0.000 1.090 253 V CA -1.060 61.408 62.300 0.279 0.000 0.930 253 V CB 2.131 34.186 31.823 0.387 0.000 1.014 253 V HN 0.965 nan 8.190 nan 0.000 0.425 254 T N 0.210 114.924 114.554 0.266 0.000 2.853 254 T HA 0.248 4.598 4.350 -0.000 0.000 0.298 254 T C -0.085 174.735 174.700 0.199 0.000 0.978 254 T CA -0.185 62.075 62.100 0.267 0.000 1.152 254 T CB 0.700 69.772 68.868 0.340 0.000 0.914 254 T HN 0.705 nan 8.240 nan 0.000 0.539 255 E N 2.625 122.826 120.200 0.002 0.000 1.998 255 E HA 0.294 4.644 4.350 -0.000 0.000 0.257 255 E C -0.309 176.106 176.600 -0.309 0.000 1.038 255 E CA -0.985 55.366 56.400 -0.082 0.000 0.869 255 E CB -0.647 28.986 29.700 -0.111 0.000 1.135 255 E HN 0.676 nan 8.360 nan 0.000 0.430 256 F N 2.422 122.303 119.950 -0.116 0.000 2.546 256 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 256 F C 1.715 177.396 175.800 -0.198 0.000 1.120 256 F CA 0.714 58.631 58.000 -0.139 0.000 1.456 256 F CB 0.171 39.196 39.000 0.042 0.000 1.088 256 F HN 0.382 nan 8.300 nan 0.000 0.572 257 K N -0.920 119.406 120.400 -0.122 0.000 2.211 257 K HA -0.221 4.099 4.320 -0.000 0.000 0.203 257 K C 1.758 178.097 176.600 -0.435 0.000 1.050 257 K CA 1.186 57.346 56.287 -0.211 0.000 0.945 257 K CB -0.396 31.939 32.500 -0.275 0.000 0.732 257 K HN 0.256 nan 8.250 nan 0.000 0.451 258 Y N 1.294 121.078 120.300 -0.860 0.000 2.049 258 Y HA -0.247 4.303 4.550 -0.000 0.000 0.277 258 Y C 2.426 178.191 175.900 -0.224 0.000 1.143 258 Y CA 2.093 59.750 58.100 -0.738 0.000 1.115 258 Y CB -0.730 37.302 38.460 -0.713 0.000 0.975 258 Y HN 0.055 nan 8.280 nan 0.000 0.487 259 G N -0.934 107.836 108.800 -0.051 0.000 2.422 259 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 259 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 259 G C 1.746 176.660 174.900 0.023 0.000 1.140 259 G CA 0.769 45.876 45.100 0.012 0.000 0.775 259 G HN 0.619 nan 8.290 nan 0.000 0.545 260 A N 0.919 123.762 122.820 0.038 0.000 1.877 260 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 260 A C 2.395 180.034 177.584 0.091 0.000 1.186 260 A CA 1.753 53.842 52.037 0.086 0.000 0.620 260 A CB -0.245 18.823 19.000 0.114 0.000 0.822 260 A HN 0.198 nan 8.150 nan 0.000 0.443 261 K N -0.341 120.137 120.400 0.130 0.000 2.031 261 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 261 K C 1.988 178.584 176.600 -0.005 0.000 1.049 261 K CA 0.780 57.194 56.287 0.211 0.000 0.939 261 K CB -0.731 32.054 32.500 0.474 0.000 0.717 261 K HN 0.499 nan 8.250 nan 0.000 0.438 262 L N 0.514 121.668 121.223 -0.115 0.000 2.083 262 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 262 L C 2.250 178.920 176.870 -0.333 0.000 1.083 262 L CA 1.563 56.134 54.840 -0.448 0.000 0.752 262 L CB -0.721 41.059 42.059 -0.464 0.000 0.899 262 L HN 0.281 nan 8.230 nan 0.000 0.433 263 G N -1.419 107.271 108.800 -0.184 0.000 2.402 263 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 263 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 263 G C 1.472 176.205 174.900 -0.279 0.000 1.162 263 G CA 1.108 46.087 45.100 -0.202 0.000 0.777 263 G HN 0.308 nan 8.290 nan 0.000 0.539 264 T N 0.889 115.352 114.554 -0.151 0.000 2.746 264 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 264 T C 2.553 177.176 174.700 -0.129 0.000 1.039 264 T CA 1.205 63.257 62.100 -0.080 0.000 1.142 264 T CB -0.233 68.704 68.868 0.114 0.000 0.866 264 T HN 0.061 nan 8.240 nan 0.000 0.444 265 V N 1.228 121.041 119.914 -0.168 0.000 2.261 265 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 265 V C 2.669 178.567 176.094 -0.326 0.000 1.047 265 V CA 1.361 63.522 62.300 -0.232 0.000 1.015 265 V CB -0.673 30.924 31.823 -0.376 0.000 0.642 265 V HN 0.305 nan 8.190 nan 0.000 0.446 266 V N -0.218 119.456 119.914 -0.400 0.000 2.626 266 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 266 V C 2.416 178.310 176.094 -0.334 0.000 1.067 266 V CA 1.735 63.802 62.300 -0.388 0.000 1.081 266 V CB -0.816 30.770 31.823 -0.396 0.000 0.686 266 V HN 0.465 nan 8.190 nan 0.000 0.468 267 R N -0.211 120.040 120.500 -0.415 0.000 2.275 267 R HA 0.064 4.404 4.340 -0.000 0.000 0.199 267 R C 0.681 176.798 176.300 -0.306 0.000 0.989 267 R CA 0.063 55.843 56.100 -0.534 0.000 1.016 267 R CB -0.051 29.503 30.300 -1.243 0.000 0.918 267 R HN 0.407 nan 8.270 nan 0.000 0.473 268 K N -0.556 119.728 120.400 -0.193 0.000 3.096 268 K HA -0.172 4.148 4.320 -0.000 0.000 0.266 268 K C -0.968 175.735 176.600 0.172 0.000 1.043 268 K CA 0.367 56.628 56.287 -0.044 0.000 0.758 268 K CB -0.943 31.524 32.500 -0.055 0.000 1.260 268 K HN 0.138 nan 8.250 nan 0.000 0.481 269 W N 0.415 121.692 121.300 -0.039 0.000 2.283 269 W HA 0.262 4.922 4.660 -0.000 0.000 0.341 269 W C 1.146 177.666 176.519 0.001 0.000 1.206 269 W CA -0.985 56.350 57.345 -0.016 0.000 1.294 269 W CB 0.768 30.223 29.460 -0.008 0.000 1.154 269 W HN 0.164 nan 8.180 nan 0.000 0.613 270 S N 1.161 116.980 115.700 0.198 0.000 3.491 270 S HA -0.101 4.369 4.470 -0.000 0.000 0.371 270 S C 1.024 175.692 174.600 0.113 0.000 0.980 270 S CA 1.539 59.807 58.200 0.113 0.000 1.204 270 S CB -1.514 61.758 63.200 0.119 0.000 0.915 270 S HN 1.511 nan 8.310 nan 0.000 0.482 271 G N -0.437 108.424 108.800 0.102 0.000 2.155 271 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 271 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 271 G C -0.157 174.805 174.900 0.103 0.000 0.983 271 G CA 0.503 45.660 45.100 0.094 0.000 0.676 271 G HN 0.623 nan 8.290 nan 0.000 0.528 272 E N 0.374 120.628 120.200 0.090 0.000 2.373 272 E HA 0.518 4.868 4.350 -0.000 0.000 0.263 272 E C 0.523 176.992 176.600 -0.218 0.000 1.073 272 E CA 0.218 56.641 56.400 0.038 0.000 0.894 272 E CB 0.874 30.633 29.700 0.098 0.000 1.008 272 E HN 0.514 nan 8.360 nan 0.000 0.420 273 K N 1.518 121.565 120.400 -0.590 0.000 2.426 273 K HA 0.306 4.626 4.320 -0.000 0.000 0.251 273 K C 0.872 177.151 176.600 -0.536 0.000 0.941 273 K CA -0.549 55.338 56.287 -0.666 0.000 0.808 273 K CB 2.014 33.925 32.500 -0.982 0.000 1.265 273 K HN 0.310 nan 8.250 nan 0.000 0.432 274 M N 1.301 120.670 119.600 -0.386 0.000 2.279 274 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 274 M C 1.629 177.840 176.300 -0.149 0.000 1.062 274 M CA 1.889 56.979 55.300 -0.350 0.000 1.099 274 M CB 0.052 32.428 32.600 -0.374 0.000 1.394 274 M HN 0.758 nan 8.290 nan 0.000 0.426 275 S N -0.775 114.868 115.700 -0.095 0.000 2.469 275 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 275 S C 1.555 176.371 174.600 0.360 0.000 0.998 275 S CA 0.826 59.141 58.200 0.192 0.000 0.957 275 S CB -1.108 62.154 63.200 0.103 0.000 0.764 275 S HN 0.687 nan 8.310 nan 0.000 0.514 276 Y N 1.186 121.549 120.300 0.105 0.000 2.571 276 Y HA 0.177 4.727 4.550 -0.000 0.000 0.294 276 Y C 1.777 177.832 175.900 0.259 0.000 1.141 276 Y CA -0.032 58.156 58.100 0.147 0.000 1.308 276 Y CB -0.299 38.270 38.460 0.182 0.000 1.002 276 Y HN 0.281 nan 8.280 nan 0.000 0.551 277 L N 0.517 121.865 121.223 0.209 0.000 2.610 277 L HA -0.128 4.212 4.340 -0.000 0.000 0.232 277 L C 2.298 179.042 176.870 -0.210 0.000 1.149 277 L CA 0.575 55.361 54.840 -0.090 0.000 0.872 277 L CB -0.347 41.354 42.059 -0.596 0.000 0.992 277 L HN 0.194 nan 8.230 nan 0.000 0.447 278 K N 2.106 122.186 120.400 -0.533 0.000 2.074 278 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 278 K C 1.202 177.417 176.600 -0.641 0.000 1.048 278 K CA 2.082 57.540 56.287 -1.381 0.000 0.926 278 K CB -0.075 31.759 32.500 -1.110 0.000 0.713 278 K HN 0.625 nan 8.250 nan 0.000 0.444 279 N N -0.758 117.808 118.700 -0.223 0.000 2.376 279 N HA -0.025 4.715 4.740 -0.000 0.000 0.249 279 N C -0.286 175.242 175.510 0.030 0.000 1.140 279 N CA -0.740 52.237 53.050 -0.121 0.000 0.870 279 N CB -0.053 38.382 38.487 -0.086 0.000 1.124 279 N HN 0.206 nan 8.380 nan 0.000 0.505 280 W N 1.731 122.805 121.300 -0.378 0.000 2.377 280 W HA 0.145 4.805 4.660 -0.000 0.000 0.341 280 W C 0.674 176.822 176.519 -0.618 0.000 1.240 280 W CA 1.915 58.811 57.345 -0.748 0.000 1.311 280 W CB 0.501 29.452 29.460 -0.849 0.000 1.175 280 W HN 0.519 nan 8.180 nan 0.000 0.571 281 G N 3.691 111.674 108.800 -1.361 0.000 2.460 281 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.207 281 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.207 281 G C 0.315 174.714 174.900 -0.836 0.000 1.170 281 G CA 0.123 44.529 45.100 -1.156 0.000 1.151 281 G HN 0.473 nan 8.290 nan 0.000 0.575 282 E N 0.777 120.806 120.200 -0.285 0.000 2.209 282 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 282 E C 2.524 178.999 176.600 -0.208 0.000 0.993 282 E CA 1.864 58.184 56.400 -0.134 0.000 0.819 282 E CB -0.584 29.121 29.700 0.009 0.000 0.745 282 E HN 0.860 nan 8.360 nan 0.000 0.477 283 G N -0.483 108.188 108.800 -0.215 0.000 2.470 283 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 283 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 283 G C 0.501 175.257 174.900 -0.240 0.000 1.121 283 G CA 0.353 45.350 45.100 -0.172 0.000 0.766 283 G HN 0.264 nan 8.290 nan 0.000 0.553 284 W N 0.053 120.926 121.300 -0.712 0.000 3.330 284 W HA 0.448 5.108 4.660 0.000 0.000 0.348 284 W C 1.615 177.761 176.519 -0.622 0.000 1.205 284 W CA -0.272 56.600 57.345 -0.787 0.000 1.841 284 W CB 0.045 28.715 29.460 -1.317 0.000 1.084 284 W HN 0.298 nan 8.180 nan 0.000 0.665 285 G N -0.423 108.225 108.800 -0.253 0.000 2.143 285 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.249 285 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.249 285 G C 0.269 175.275 174.900 0.177 0.000 0.981 285 G CA -0.521 44.560 45.100 -0.032 0.000 0.665 285 G HN 0.254 nan 8.290 nan 0.000 0.528 286 F N 0.852 120.749 119.950 -0.089 0.000 2.399 286 F HA 0.551 5.078 4.527 -0.000 0.000 0.313 286 F C 1.797 177.647 175.800 0.082 0.000 1.202 286 F CA -0.842 57.117 58.000 -0.068 0.000 1.192 286 F CB 0.463 39.259 39.000 -0.339 0.000 1.256 286 F HN 0.242 nan 8.300 nan 0.000 0.558 287 M N 0.847 120.680 119.600 0.389 0.000 2.113 287 M HA 0.342 4.822 4.480 -0.000 0.000 0.288 287 M C -2.697 173.754 176.300 0.252 0.000 1.225 287 M CA -1.566 53.934 55.300 0.334 0.000 1.148 287 M CB -0.638 32.195 32.600 0.387 0.000 1.388 287 M HN 0.075 nan 8.290 nan 0.000 0.469 288 P HA 0.019 nan 4.420 nan 0.000 0.265 288 P C 0.260 177.468 177.300 -0.153 0.000 1.193 288 P CA 0.137 63.210 63.100 -0.045 0.000 0.765 288 P CB 0.858 32.447 31.700 -0.185 0.000 0.823 289 S N 2.984 118.560 115.700 -0.206 0.000 2.374 289 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 289 S C 1.345 175.707 174.600 -0.396 0.000 1.037 289 S CA 2.066 59.906 58.200 -0.599 0.000 1.024 289 S CB -0.921 62.010 63.200 -0.449 0.000 0.861 289 S HN 0.640 nan 8.310 nan 0.000 0.456 290 D N -0.285 119.952 120.400 -0.272 0.000 2.378 290 D HA -0.039 4.601 4.640 -0.000 0.000 0.227 290 D C 1.453 177.593 176.300 -0.267 0.000 1.012 290 D CA 0.373 54.233 54.000 -0.234 0.000 0.905 290 D CB -0.255 40.411 40.800 -0.223 0.000 0.895 290 D HN 0.318 nan 8.370 nan 0.000 0.532 291 R N -0.375 119.938 120.500 -0.312 0.000 2.509 291 R HA 0.419 4.759 4.340 -0.000 0.000 0.297 291 R C 0.107 176.337 176.300 -0.116 0.000 0.951 291 R CA -0.022 55.893 56.100 -0.308 0.000 1.103 291 R CB 0.841 30.662 30.300 -0.800 0.000 1.283 291 R HN 0.180 nan 8.270 nan 0.000 0.534 292 A N 1.454 124.195 122.820 -0.133 0.000 2.301 292 A HA 0.574 4.894 4.320 -0.000 0.000 0.312 292 A C -0.713 176.862 177.584 -0.017 0.000 1.182 292 A CA -0.451 51.548 52.037 -0.062 0.000 0.826 292 A CB 0.771 19.686 19.000 -0.142 0.000 1.134 292 A HN 0.210 nan 8.150 nan 0.000 0.501 293 L N 4.076 125.319 121.223 0.033 0.000 2.319 293 L HA 0.669 5.009 4.340 -0.000 0.000 0.281 293 L C -0.357 176.512 176.870 -0.002 0.000 1.005 293 L CA -0.542 54.320 54.840 0.038 0.000 0.828 293 L CB 1.570 43.620 42.059 -0.014 0.000 1.227 293 L HN 0.699 nan 8.230 nan 0.000 0.415 294 V N 2.051 121.884 119.914 -0.134 0.000 2.994 294 V HA 0.823 4.943 4.120 -0.000 0.000 0.318 294 V C -0.711 175.255 176.094 -0.213 0.000 1.085 294 V CA -0.663 61.360 62.300 -0.463 0.000 0.998 294 V CB 1.712 32.937 31.823 -0.995 0.000 1.063 294 V HN 0.776 nan 8.190 nan 0.000 0.447 295 F N -0.953 118.764 119.950 -0.388 0.000 2.744 295 F HA 0.724 5.251 4.527 -0.000 0.000 0.311 295 F C -0.016 175.777 175.800 -0.011 0.000 1.144 295 F CA -0.873 57.019 58.000 -0.181 0.000 0.938 295 F CB 0.805 39.710 39.000 -0.158 0.000 1.292 295 F HN 0.252 nan 8.300 nan 0.000 0.444 296 V N 0.071 120.106 119.914 0.202 0.000 2.379 296 V HA 0.032 4.152 4.120 -0.000 0.000 0.243 296 V C 0.060 176.326 176.094 0.287 0.000 1.035 296 V CA 1.996 64.408 62.300 0.188 0.000 1.035 296 V CB -0.501 31.374 31.823 0.087 0.000 0.673 296 V HN 0.903 nan 8.190 nan 0.000 0.457 297 D N -0.575 120.077 120.400 0.420 0.000 2.596 297 D HA 0.285 4.925 4.640 -0.000 0.000 0.234 297 D C -0.993 175.500 176.300 0.321 0.000 1.181 297 D CA -0.644 53.590 54.000 0.390 0.000 0.856 297 D CB 1.694 42.681 40.800 0.311 0.000 1.498 297 D HN 0.257 nan 8.370 nan 0.000 0.446 298 N N -1.522 117.264 118.700 0.144 0.000 2.701 298 N HA 0.143 4.883 4.740 -0.000 0.000 0.290 298 N C 0.840 176.227 175.510 -0.206 0.000 1.338 298 N CA -0.399 52.576 53.050 -0.125 0.000 0.799 298 N CB 0.510 38.754 38.487 -0.406 0.000 1.491 298 N HN 0.644 nan 8.380 nan 0.000 0.540 299 H N -1.939 116.932 119.070 -0.331 0.000 2.457 299 H HA -0.014 4.542 4.556 -0.000 0.000 0.297 299 H C 0.915 175.807 175.328 -0.726 0.000 1.092 299 H CA 1.962 57.541 56.048 -0.782 0.000 1.309 299 H CB -0.042 28.932 29.762 -1.314 0.000 1.382 299 H HN 0.728 nan 8.280 nan 0.000 0.535 300 D N 0.578 120.310 120.400 -1.113 0.000 2.202 300 D HA -0.152 4.488 4.640 -0.000 0.000 0.214 300 D C 1.953 178.066 176.300 -0.311 0.000 0.967 300 D CA 1.108 54.694 54.000 -0.691 0.000 0.871 300 D CB -0.192 40.288 40.800 -0.534 0.000 1.020 300 D HN 0.513 nan 8.370 nan 0.000 0.474 301 N N 0.650 119.258 118.700 -0.154 0.000 2.550 301 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 301 N C 1.360 176.902 175.510 0.053 0.000 1.110 301 N CA 0.863 53.913 53.050 -0.000 0.000 0.912 301 N CB -0.822 37.754 38.487 0.149 0.000 0.968 301 N HN 0.521 nan 8.380 nan 0.000 0.448 302 Q N -0.244 119.570 119.800 0.023 0.000 2.488 302 Q HA 0.068 4.408 4.340 -0.000 0.000 0.211 302 Q C 1.294 177.436 176.000 0.237 0.000 0.967 302 Q CA 0.531 56.413 55.803 0.132 0.000 0.926 302 Q CB -0.131 28.683 28.738 0.126 0.000 0.992 302 Q HN 0.245 nan 8.270 nan 0.000 0.506 303 R N -0.197 120.378 120.500 0.124 0.000 2.310 303 R HA 0.135 4.475 4.340 -0.000 0.000 0.202 303 R C 0.861 177.317 176.300 0.260 0.000 0.933 303 R CA 0.596 56.831 56.100 0.225 0.000 1.054 303 R CB 0.369 30.689 30.300 0.034 0.000 0.985 303 R HN 0.572 nan 8.270 nan 0.000 0.489 304 G N 0.861 109.788 108.800 0.212 0.000 2.234 304 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.235 304 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.235 304 G C 0.217 175.298 174.900 0.301 0.000 0.997 304 G CA 0.447 45.721 45.100 0.289 0.000 0.623 304 G HN 0.676 nan 8.290 nan 0.000 0.514 305 H N -1.348 117.822 119.070 0.168 0.000 2.676 305 H HA 0.647 5.203 4.556 -0.000 0.000 0.238 305 H C 0.774 176.151 175.328 0.082 0.000 1.276 305 H CA 0.122 56.245 56.048 0.124 0.000 0.983 305 H CB 0.167 30.002 29.762 0.121 0.000 2.000 305 H HN 0.590 nan 8.280 nan 0.000 0.584 306 G N 0.177 108.984 108.800 0.012 0.000 2.890 306 G HA2 0.567 4.527 3.960 -0.000 0.000 0.189 306 G HA3 0.567 4.527 3.960 -0.000 0.000 0.189 306 G C -0.487 174.425 174.900 0.021 0.000 1.342 306 G CA -0.847 44.237 45.100 -0.027 0.000 1.026 306 G HN 0.535 nan 8.290 nan 0.000 0.579 307 A N -1.085 121.727 122.820 -0.013 0.000 2.476 307 A HA 0.519 4.839 4.320 -0.000 0.000 0.275 307 A C 1.286 178.958 177.584 0.145 0.000 1.133 307 A CA 1.183 53.231 52.037 0.017 0.000 0.797 307 A CB -0.844 18.085 19.000 -0.119 0.000 1.081 307 A HN 2.401 nan 8.150 nan 0.000 0.510 308 G N 1.621 110.495 108.800 0.123 0.000 2.231 308 G HA2 0.199 4.159 3.960 -0.000 0.000 0.206 308 G HA3 0.199 4.159 3.960 -0.000 0.000 0.206 308 G C 1.640 176.633 174.900 0.156 0.000 0.996 308 G CA 0.636 45.823 45.100 0.145 0.000 0.645 308 G HN 2.692 nan 8.290 nan 0.000 0.498 309 G N 0.335 109.224 108.800 0.150 0.000 2.614 309 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.303 309 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.303 309 G C 1.629 176.654 174.900 0.209 0.000 1.270 309 G CA 2.638 47.844 45.100 0.177 0.000 0.988 309 G HN 2.035 nan 8.290 nan 0.000 0.551 310 S N 0.042 115.890 115.700 0.246 0.000 2.474 310 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 310 S C 2.450 177.254 174.600 0.340 0.000 0.997 310 S CA 1.997 60.379 58.200 0.303 0.000 0.949 310 S CB -0.388 63.002 63.200 0.318 0.000 0.766 310 S HN 2.023 nan 8.310 nan 0.000 0.517 311 S N 1.620 117.512 115.700 0.320 0.000 2.428 311 S HA 0.116 4.586 4.470 -0.000 0.000 0.230 311 S C 0.855 175.426 174.600 -0.049 0.000 1.014 311 S CA -0.147 58.096 58.200 0.073 0.000 0.957 311 S CB -0.771 62.531 63.200 0.169 0.000 0.784 311 S HN 0.406 nan 8.310 nan 0.000 0.499 312 I N 2.928 123.540 120.570 0.070 0.000 2.741 312 I HA 0.103 4.273 4.170 -0.000 0.000 0.288 312 I C 0.391 176.547 176.117 0.065 0.000 1.192 312 I CA -0.115 61.236 61.300 0.086 0.000 1.426 312 I CB -0.520 37.569 38.000 0.149 0.000 1.367 312 I HN 0.339 nan 8.210 nan 0.000 0.563 313 L N 6.995 128.271 121.223 0.088 0.000 2.350 313 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 313 L C 0.683 177.703 176.870 0.251 0.000 1.099 313 L CA -0.143 54.783 54.840 0.144 0.000 0.808 313 L CB 1.493 43.653 42.059 0.167 0.000 1.149 313 L HN 0.797 nan 8.230 nan 0.000 0.442 314 T N -1.688 112.885 114.554 0.032 0.000 2.804 314 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 314 T C 0.724 174.974 174.700 -0.750 0.000 1.099 314 T CA -0.621 61.240 62.100 -0.399 0.000 1.011 314 T CB 0.722 69.474 68.868 -0.194 0.000 1.291 314 T HN 0.409 nan 8.240 nan 0.000 0.523 315 F N -1.200 118.246 119.950 -0.841 0.000 2.408 315 F HA 0.192 4.719 4.527 0.000 0.000 0.300 315 F C 1.613 177.336 175.800 -0.128 0.000 1.090 315 F CA -0.048 57.672 58.000 -0.466 0.000 1.427 315 F CB -0.956 37.764 39.000 -0.466 0.000 1.070 315 F HN 0.548 nan 8.300 nan 0.000 0.549 316 W N 1.521 122.351 121.300 -0.783 0.000 2.425 316 W HA -0.067 4.593 4.660 0.000 0.000 0.277 316 W C 0.541 176.969 176.519 -0.152 0.000 1.231 316 W CA 0.670 57.728 57.345 -0.480 0.000 1.248 316 W CB -0.060 29.069 29.460 -0.553 0.000 1.117 316 W HN -0.015 nan 8.180 nan 0.000 0.568 317 D N -0.183 120.283 120.400 0.110 0.000 3.018 317 D HA 0.251 4.891 4.640 -0.000 0.000 0.331 317 D C 1.298 177.718 176.300 0.200 0.000 1.334 317 D CA 0.129 54.205 54.000 0.126 0.000 0.900 317 D CB 0.404 41.253 40.800 0.081 0.000 1.059 317 D HN 0.000 nan 8.370 nan 0.000 0.498 318 A N 1.215 124.178 122.820 0.238 0.000 1.915 318 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 318 A C 2.196 179.963 177.584 0.305 0.000 1.198 318 A CA 1.580 53.825 52.037 0.347 0.000 0.647 318 A CB -0.344 18.725 19.000 0.115 0.000 0.825 318 A HN 0.315 nan 8.150 nan 0.000 0.456 319 R N -1.155 119.446 120.500 0.168 0.000 2.070 319 R HA -0.126 4.214 4.340 -0.000 0.000 0.233 319 R C 1.926 178.321 176.300 0.157 0.000 1.137 319 R CA 1.762 57.950 56.100 0.147 0.000 0.945 319 R CB -0.385 29.967 30.300 0.087 0.000 0.845 319 R HN 0.405 nan 8.270 nan 0.000 0.430 320 L N -0.418 120.874 121.223 0.115 0.000 2.093 320 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 320 L C 2.123 179.048 176.870 0.092 0.000 1.085 320 L CA 1.457 56.323 54.840 0.044 0.000 0.755 320 L CB -0.978 41.070 42.059 -0.018 0.000 0.904 320 L HN 0.235 nan 8.230 nan 0.000 0.435 321 Y N 0.757 121.105 120.300 0.079 0.000 2.128 321 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 321 Y C 2.460 178.455 175.900 0.158 0.000 1.154 321 Y CA 1.720 59.895 58.100 0.125 0.000 1.149 321 Y CB -0.121 38.478 38.460 0.233 0.000 0.976 321 Y HN 0.100 nan 8.280 nan 0.000 0.505 322 K N -0.189 120.388 120.400 0.294 0.000 2.097 322 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 322 K C 2.057 178.644 176.600 -0.023 0.000 1.049 322 K CA 1.763 58.209 56.287 0.266 0.000 0.933 322 K CB -0.243 32.557 32.500 0.501 0.000 0.717 322 K HN 0.379 nan 8.250 nan 0.000 0.442 323 I N 0.685 121.142 120.570 -0.188 0.000 2.286 323 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 323 I C 2.461 178.340 176.117 -0.397 0.000 1.104 323 I CA 0.830 61.798 61.300 -0.552 0.000 1.397 323 I CB -0.299 37.485 38.000 -0.360 0.000 1.072 323 I HN 0.135 nan 8.210 nan 0.000 0.417 324 A N 0.512 123.155 122.820 -0.295 0.000 1.877 324 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 324 A C 2.408 179.891 177.584 -0.168 0.000 1.186 324 A CA 1.701 53.574 52.037 -0.273 0.000 0.620 324 A CB -0.973 17.889 19.000 -0.230 0.000 0.822 324 A HN 0.222 nan 8.150 nan 0.000 0.443 325 V N -0.012 119.762 119.914 -0.234 0.000 2.407 325 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 325 V C 2.781 178.866 176.094 -0.015 0.000 1.055 325 V CA 1.935 64.139 62.300 -0.159 0.000 1.049 325 V CB -1.417 30.241 31.823 -0.274 0.000 0.662 325 V HN 0.627 nan 8.190 nan 0.000 0.455 326 G N -1.025 107.770 108.800 -0.008 0.000 2.418 326 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 326 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 326 G C 1.562 176.556 174.900 0.157 0.000 1.158 326 G CA 0.910 46.065 45.100 0.092 0.000 0.771 326 G HN 0.473 nan 8.290 nan 0.000 0.545 327 F N 0.928 120.873 119.950 -0.007 0.000 2.102 327 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 327 F C 2.671 178.556 175.800 0.142 0.000 1.105 327 F CA 2.115 60.105 58.000 -0.016 0.000 1.239 327 F CB -0.114 38.550 39.000 -0.561 0.000 0.991 327 F HN 0.154 nan 8.300 nan 0.000 0.474 328 M N -0.468 119.274 119.600 0.236 0.000 2.080 328 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 328 M C 1.824 178.236 176.300 0.187 0.000 1.068 328 M CA 1.749 57.243 55.300 0.324 0.000 1.109 328 M CB -0.346 32.436 32.600 0.303 0.000 1.342 328 M HN 0.227 nan 8.290 nan 0.000 0.405 329 L N 0.512 121.787 121.223 0.086 0.000 2.275 329 L HA -0.023 4.317 4.340 -0.000 0.000 0.215 329 L C 2.652 179.560 176.870 0.064 0.000 1.119 329 L CA 1.814 56.678 54.840 0.039 0.000 0.790 329 L CB -1.582 40.481 42.059 0.006 0.000 0.919 329 L HN 0.419 nan 8.230 nan 0.000 0.443 330 A N -2.610 120.224 122.820 0.023 0.000 1.975 330 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 330 A C 1.295 179.118 177.584 0.398 0.000 1.170 330 A CA 0.174 52.235 52.037 0.041 0.000 0.656 330 A CB -0.510 18.274 19.000 -0.360 0.000 0.821 330 A HN 0.368 nan 8.150 nan 0.000 0.449 331 H N 1.002 120.247 119.070 0.291 0.000 2.764 331 H HA 0.136 4.692 4.556 -0.000 0.000 0.341 331 H C -1.607 173.876 175.328 0.258 0.000 1.072 331 H CA -1.182 55.030 56.048 0.273 0.000 1.444 331 H CB 1.415 31.204 29.762 0.045 0.000 1.458 331 H HN 0.118 nan 8.280 nan 0.000 0.572 332 P HA -0.162 nan 4.420 nan 0.000 0.222 332 P C 0.313 177.729 177.300 0.193 0.000 1.147 332 P CA 0.659 63.813 63.100 0.091 0.000 0.790 332 P CB -0.155 31.554 31.700 0.015 0.000 0.780 333 Y N 2.295 122.800 120.300 0.341 0.000 2.721 333 Y HA 0.284 4.834 4.550 -0.000 0.000 0.329 333 Y C 1.331 177.296 175.900 0.109 0.000 1.211 333 Y CA 1.440 59.682 58.100 0.237 0.000 1.512 333 Y CB -0.447 38.173 38.460 0.266 0.000 1.249 333 Y HN 0.315 nan 8.280 nan 0.000 0.549 334 G N 4.723 113.160 108.800 -0.605 0.000 2.877 334 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.279 334 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.279 334 G C -1.256 173.555 174.900 -0.148 0.000 1.431 334 G CA -0.242 44.592 45.100 -0.444 0.000 0.883 334 G HN 0.925 nan 8.290 nan 0.000 0.547 335 F N 1.922 121.746 119.950 -0.211 0.000 2.404 335 F HA 0.625 5.152 4.527 -0.000 0.000 0.354 335 F C 1.206 176.903 175.800 -0.171 0.000 1.122 335 F CA 0.084 57.983 58.000 -0.168 0.000 1.080 335 F CB 1.394 40.304 39.000 -0.150 0.000 1.131 335 F HN 0.821 nan 8.300 nan 0.000 0.471 336 T N 4.244 118.352 114.554 -0.742 0.000 2.817 336 T HA 0.396 4.745 4.350 -0.000 0.000 0.293 336 T C -0.332 174.128 174.700 -0.399 0.000 0.964 336 T CA -0.855 60.962 62.100 -0.472 0.000 1.085 336 T CB 1.259 69.914 68.868 -0.355 0.000 0.921 336 T HN 0.797 nan 8.240 nan 0.000 0.502 337 R N 2.433 122.844 120.500 -0.149 0.000 2.480 337 R HA 0.605 4.945 4.340 -0.000 0.000 0.306 337 R C -1.501 174.818 176.300 0.032 0.000 0.958 337 R CA -0.720 55.347 56.100 -0.054 0.000 0.861 337 R CB 1.497 31.760 30.300 -0.062 0.000 1.171 337 R HN 0.603 nan 8.270 nan 0.000 0.445 338 V N 5.357 125.313 119.914 0.070 0.000 2.532 338 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 338 V C 0.164 176.347 176.094 0.148 0.000 1.041 338 V CA -0.743 61.634 62.300 0.128 0.000 0.926 338 V CB 1.607 33.544 31.823 0.190 0.000 0.992 338 V HN 0.802 nan 8.190 nan 0.000 0.457 339 M N 3.829 123.535 119.600 0.177 0.000 2.314 339 M HA 0.524 5.004 4.480 -0.000 0.000 0.342 339 M C -0.194 176.161 176.300 0.091 0.000 1.171 339 M CA 0.630 56.022 55.300 0.154 0.000 1.098 339 M CB 1.553 34.271 32.600 0.196 0.000 1.559 339 M HN 0.619 nan 8.290 nan 0.000 0.459 340 S N 2.430 118.144 115.700 0.023 0.000 2.733 340 S HA 0.789 5.259 4.470 -0.000 0.000 0.294 340 S C -1.234 173.435 174.600 0.114 0.000 1.149 340 S CA -0.614 57.604 58.200 0.030 0.000 1.034 340 S CB 0.688 63.810 63.200 -0.129 0.000 1.015 340 S HN 0.839 nan 8.310 nan 0.000 0.486 341 S N 2.824 118.558 115.700 0.057 0.000 2.798 341 S HA 0.809 5.279 4.470 -0.000 0.000 0.312 341 S C -1.350 173.316 174.600 0.111 0.000 1.122 341 S CA -0.731 57.503 58.200 0.056 0.000 0.949 341 S CB 0.755 63.846 63.200 -0.182 0.000 1.235 341 S HN 0.778 nan 8.310 nan 0.000 0.552 342 Y N -0.932 119.418 120.300 0.083 0.000 2.570 342 Y HA 0.758 5.308 4.550 -0.000 0.000 0.345 342 Y C -0.372 175.537 175.900 0.014 0.000 1.014 342 Y CA -1.399 56.640 58.100 -0.101 0.000 1.063 342 Y CB 0.735 38.987 38.460 -0.346 0.000 1.272 342 Y HN 0.387 nan 8.280 nan 0.000 0.477 343 R N 1.251 121.843 120.500 0.154 0.000 2.500 343 R HA 0.512 4.852 4.340 -0.000 0.000 0.275 343 R C -1.459 175.215 176.300 0.622 0.000 1.051 343 R CA -0.417 55.846 56.100 0.271 0.000 1.088 343 R CB 1.134 31.468 30.300 0.057 0.000 1.063 343 R HN 1.000 nan 8.270 nan 0.000 0.511 344 W N -1.211 120.363 121.300 0.457 0.000 3.074 344 W HA 0.609 5.269 4.660 -0.000 0.000 0.332 344 W C -1.742 174.930 176.519 0.256 0.000 1.253 344 W CA -1.226 56.287 57.345 0.281 0.000 1.180 344 W CB 0.804 30.403 29.460 0.232 0.000 1.445 344 W HN 0.582 nan 8.180 nan 0.000 0.573 345 A N 3.281 126.195 122.820 0.157 0.000 2.376 345 A HA 0.522 4.842 4.320 -0.000 0.000 0.298 345 A C 0.138 177.658 177.584 -0.108 0.000 1.271 345 A CA -0.609 51.409 52.037 -0.031 0.000 0.926 345 A CB -0.130 18.885 19.000 0.025 0.000 1.141 345 A HN 0.608 nan 8.150 nan 0.000 0.539 346 R N 2.005 122.252 120.500 -0.423 0.000 2.539 346 R HA 0.223 4.563 4.340 -0.000 0.000 0.275 346 R C -0.367 175.741 176.300 -0.321 0.000 1.077 346 R CA -0.302 55.519 56.100 -0.464 0.000 1.097 346 R CB 0.525 30.307 30.300 -0.863 0.000 1.018 346 R HN 0.701 nan 8.270 nan 0.000 0.483 347 N N 2.786 121.287 118.700 -0.332 0.000 2.640 347 N HA 0.138 4.878 4.740 -0.000 0.000 0.262 347 N C -1.637 173.761 175.510 -0.187 0.000 1.174 347 N CA -0.357 52.600 53.050 -0.155 0.000 0.791 347 N CB 0.398 38.878 38.487 -0.013 0.000 1.279 347 N HN 0.285 nan 8.380 nan 0.000 0.535 348 F N 1.451 121.409 119.950 0.014 0.000 2.412 348 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 348 F C 0.830 176.644 175.800 0.023 0.000 1.102 348 F CA -0.510 57.503 58.000 0.021 0.000 1.196 348 F CB 1.241 40.234 39.000 -0.012 0.000 1.144 348 F HN 0.134 nan 8.300 nan 0.000 0.541 349 V N 0.048 120.104 119.914 0.237 0.000 2.482 349 V HA 0.415 4.535 4.120 -0.000 0.000 0.295 349 V C -0.147 176.017 176.094 0.116 0.000 1.026 349 V CA -1.383 60.998 62.300 0.134 0.000 0.856 349 V CB 1.044 32.921 31.823 0.090 0.000 1.001 349 V HN 0.915 nan 8.190 nan 0.000 0.424 350 N N 3.493 122.240 118.700 0.078 0.000 2.710 350 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 350 N C 1.211 176.753 175.510 0.053 0.000 1.059 350 N CA 0.816 53.891 53.050 0.043 0.000 0.720 350 N CB -0.969 37.534 38.487 0.027 0.000 0.983 350 N HN 1.869 nan 8.380 nan 0.000 0.544 351 G N -0.610 108.239 108.800 0.082 0.000 2.199 351 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 351 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 351 G C -0.229 174.850 174.900 0.298 0.000 0.982 351 G CA 0.521 45.667 45.100 0.076 0.000 0.632 351 G HN 0.510 nan 8.290 nan 0.000 0.529 352 E N 1.055 121.434 120.200 0.297 0.000 2.175 352 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 352 E C -1.261 175.494 176.600 0.259 0.000 0.969 352 E CA -0.636 55.916 56.400 0.253 0.000 0.796 352 E CB 1.154 30.867 29.700 0.021 0.000 1.104 352 E HN 0.098 nan 8.360 nan 0.000 0.395 353 D N 4.062 124.571 120.400 0.182 0.000 2.393 353 D HA 0.019 4.659 4.640 -0.000 0.000 0.232 353 D C 1.146 177.505 176.300 0.098 0.000 1.192 353 D CA -0.296 53.621 54.000 -0.138 0.000 0.882 353 D CB 0.769 41.447 40.800 -0.204 0.000 1.038 353 D HN 0.262 nan 8.370 nan 0.000 0.499 354 V N 1.800 121.766 119.914 0.086 0.000 3.380 354 V HA 0.063 4.183 4.120 -0.000 0.000 0.268 354 V C 0.868 177.151 176.094 0.315 0.000 1.168 354 V CA 0.642 63.061 62.300 0.199 0.000 1.156 354 V CB -0.454 31.466 31.823 0.162 0.000 0.785 354 V HN 0.260 nan 8.190 nan 0.000 0.487 355 N N 1.864 120.678 118.700 0.191 0.000 2.276 355 N HA 0.048 4.788 4.740 -0.000 0.000 0.212 355 N C 1.083 176.570 175.510 -0.038 0.000 1.127 355 N CA 0.782 53.872 53.050 0.067 0.000 0.834 355 N CB -0.076 38.446 38.487 0.059 0.000 1.014 355 N HN 0.806 nan 8.380 nan 0.000 0.491 356 D N -0.344 120.174 120.400 0.196 0.000 2.378 356 D HA -0.168 4.472 4.640 -0.000 0.000 0.222 356 D C 1.621 178.110 176.300 0.316 0.000 0.980 356 D CA 0.337 54.440 54.000 0.172 0.000 0.907 356 D CB -0.579 40.444 40.800 0.371 0.000 0.899 356 D HN 0.519 nan 8.370 nan 0.000 0.527 357 W N 1.152 122.661 121.300 0.349 0.000 2.518 357 W HA 0.192 4.852 4.660 -0.000 0.000 0.273 357 W C 0.484 177.069 176.519 0.111 0.000 1.247 357 W CA -0.702 56.833 57.345 0.317 0.000 1.288 357 W CB -0.829 28.812 29.460 0.302 0.000 1.107 357 W HN -0.222 nan 8.180 nan 0.000 0.586 358 I N 2.888 122.994 120.570 -0.773 0.000 2.996 358 I HA -0.073 4.097 4.170 -0.000 0.000 0.310 358 I C 1.497 177.565 176.117 -0.081 0.000 1.225 358 I CA 1.012 61.834 61.300 -0.796 0.000 1.442 358 I CB -0.143 37.419 38.000 -0.730 0.000 1.334 358 I HN -0.079 nan 8.210 nan 0.000 0.550 359 G N 7.950 116.706 108.800 -0.074 0.000 2.563 359 G HA2 0.403 4.363 3.960 -0.000 0.000 0.283 359 G HA3 0.403 4.363 3.960 -0.000 0.000 0.283 359 G C -2.438 172.111 174.900 -0.585 0.000 1.309 359 G CA -0.950 44.097 45.100 -0.088 0.000 1.022 359 G HN 0.435 nan 8.290 nan 0.000 0.501 360 P HA 0.144 nan 4.420 nan 0.000 0.269 360 P C -2.643 174.111 177.300 -0.910 0.000 1.217 360 P CA -0.890 61.296 63.100 -1.522 0.000 0.783 360 P CB -0.166 31.028 31.700 -0.843 0.000 0.898 361 P HA -0.002 nan 4.420 nan 0.000 0.261 361 P C -0.298 176.769 177.300 -0.388 0.000 1.173 361 P CA 0.905 63.623 63.100 -0.638 0.000 0.760 361 P CB -0.232 30.940 31.700 -0.881 0.000 0.783 362 N N 0.839 119.392 118.700 -0.246 0.000 2.823 362 N HA 0.360 5.100 4.740 -0.000 0.000 0.251 362 N C -1.598 173.851 175.510 -0.102 0.000 1.392 362 N CA -1.057 51.900 53.050 -0.155 0.000 0.864 362 N CB 1.166 39.564 38.487 -0.148 0.000 1.481 362 N HN 0.069 nan 8.380 nan 0.000 0.508 363 N N 0.093 118.750 118.700 -0.072 0.000 2.569 363 N HA 0.350 5.090 4.740 -0.000 0.000 0.254 363 N C -1.231 174.254 175.510 -0.041 0.000 1.004 363 N CA -0.640 52.380 53.050 -0.049 0.000 0.904 363 N CB 0.742 39.205 38.487 -0.039 0.000 1.165 363 N HN 0.697 nan 8.380 nan 0.000 0.513 364 N N 1.857 120.536 118.700 -0.033 0.000 2.721 364 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 364 N C 0.914 176.404 175.510 -0.034 0.000 1.072 364 N CA 1.427 54.462 53.050 -0.026 0.000 0.710 364 N CB -0.950 37.525 38.487 -0.021 0.000 0.993 364 N HN 0.981 nan 8.380 nan 0.000 0.547 365 G N -2.848 105.924 108.800 -0.046 0.000 2.217 365 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 365 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 365 G C 0.087 174.947 174.900 -0.066 0.000 0.990 365 G CA 0.315 45.382 45.100 -0.056 0.000 0.627 365 G HN 1.310 nan 8.290 nan 0.000 0.522 366 V N 0.530 120.408 119.914 -0.060 0.000 2.406 366 V HA 0.721 4.841 4.120 -0.000 0.000 0.272 366 V C 0.925 176.976 176.094 -0.070 0.000 1.043 366 V CA -1.861 60.403 62.300 -0.061 0.000 0.915 366 V CB 1.058 32.854 31.823 -0.045 0.000 0.988 366 V HN 0.257 nan 8.190 nan 0.000 0.466 367 I N 4.187 124.711 120.570 -0.077 0.000 2.752 367 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 367 I C 1.017 177.126 176.117 -0.013 0.000 1.197 367 I CA 0.386 61.650 61.300 -0.059 0.000 1.432 367 I CB -0.255 37.719 38.000 -0.042 0.000 1.359 367 I HN 0.767 nan 8.210 nan 0.000 0.571 368 K N 5.628 126.041 120.400 0.022 0.000 2.237 368 K HA 0.134 4.454 4.320 -0.000 0.000 0.270 368 K C 0.441 177.130 176.600 0.148 0.000 1.015 368 K CA -0.507 55.817 56.287 0.062 0.000 0.949 368 K CB 0.755 33.271 32.500 0.026 0.000 0.976 368 K HN 0.603 nan 8.250 nan 0.000 0.472 369 E N 0.561 120.780 120.200 0.032 0.000 2.408 369 E HA 0.084 4.434 4.350 -0.000 0.000 0.259 369 E C -0.709 175.816 176.600 -0.124 0.000 1.110 369 E CA -0.717 55.630 56.400 -0.088 0.000 0.929 369 E CB 0.569 30.223 29.700 -0.077 0.000 0.971 369 E HN 0.051 nan 8.360 nan 0.000 0.438 370 V N 2.579 122.202 119.914 -0.484 0.000 2.385 370 V HA 0.164 4.284 4.120 -0.000 0.000 0.269 370 V C 0.287 176.222 176.094 -0.266 0.000 1.043 370 V CA -0.317 61.575 62.300 -0.679 0.000 0.906 370 V CB 0.602 31.617 31.823 -1.346 0.000 0.995 370 V HN 0.833 nan 8.190 nan 0.000 0.467 371 T N 4.170 118.669 114.554 -0.092 0.000 2.875 371 T HA 0.687 5.037 4.350 -0.000 0.000 0.284 371 T C -0.496 174.187 174.700 -0.029 0.000 0.995 371 T CA -0.727 61.349 62.100 -0.040 0.000 1.060 371 T CB 1.497 70.367 68.868 0.003 0.000 0.967 371 T HN 0.232 nan 8.240 nan 0.000 0.476 372 I N 2.730 123.289 120.570 -0.019 0.000 2.404 372 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 372 I C 0.322 176.443 176.117 0.007 0.000 0.992 372 I CA -0.964 60.332 61.300 -0.006 0.000 1.149 372 I CB 1.097 39.096 38.000 -0.002 0.000 1.315 372 I HN 0.787 nan 8.210 nan 0.000 0.446 373 N N 2.928 121.635 118.700 0.012 0.000 2.476 373 N HA 0.434 5.174 4.740 -0.000 0.000 0.275 373 N C 1.127 176.647 175.510 0.018 0.000 1.190 373 N CA -0.416 52.644 53.050 0.016 0.000 0.977 373 N CB 1.407 39.906 38.487 0.020 0.000 1.200 373 N HN 0.696 nan 8.380 nan 0.000 0.515 374 A N 0.572 123.402 122.820 0.017 0.000 1.972 374 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 374 A C 1.245 178.842 177.584 0.021 0.000 1.169 374 A CA 1.749 53.797 52.037 0.018 0.000 0.635 374 A CB -0.518 18.490 19.000 0.014 0.000 0.810 374 A HN 0.865 nan 8.150 nan 0.000 0.446 375 D N -1.487 118.925 120.400 0.020 0.000 2.336 375 D HA -0.011 4.628 4.640 -0.000 0.000 0.229 375 D C 0.922 177.241 176.300 0.032 0.000 1.061 375 D CA 1.317 55.330 54.000 0.022 0.000 0.875 375 D CB -0.915 39.893 40.800 0.014 0.000 0.904 375 D HN 0.726 nan 8.370 nan 0.000 0.525 376 T N -4.624 109.948 114.554 0.030 0.000 5.979 376 T HA -0.254 4.096 4.350 -0.000 0.000 0.273 376 T C 0.511 175.211 174.700 -0.001 0.000 2.195 376 T CA 1.246 63.359 62.100 0.022 0.000 3.693 376 T CB -3.097 65.803 68.868 0.053 0.000 0.944 376 T HN 0.564 nan 8.240 nan 0.000 1.117 377 T N -0.988 113.582 114.554 0.027 0.000 2.770 377 T HA 0.685 5.035 4.350 -0.000 0.000 0.281 377 T C 0.827 175.550 174.700 0.038 0.000 0.981 377 T CA -0.265 61.867 62.100 0.053 0.000 0.955 377 T CB 1.355 70.267 68.868 0.074 0.000 1.060 377 T HN 0.637 nan 8.240 nan 0.000 0.531 378 c N -0.025 118.617 118.600 0.070 0.000 2.470 378 c HA 0.925 5.495 4.570 -0.000 0.000 0.341 378 c C 1.259 175.403 174.090 0.090 0.000 1.190 378 c CA -0.401 55.972 56.329 0.073 0.000 1.904 378 c CB 1.020 43.599 42.510 0.114 0.000 2.354 378 c HN 1.216 nan 8.230 nan 0.000 0.509 379 G N 0.041 108.894 108.800 0.089 0.000 2.938 379 G HA2 0.492 4.452 3.960 -0.000 0.000 0.258 379 G HA3 0.492 4.452 3.960 -0.000 0.000 0.258 379 G C -0.210 174.760 174.900 0.117 0.000 1.356 379 G CA -0.234 44.912 45.100 0.076 0.000 1.052 379 G HN 0.741 nan 8.290 nan 0.000 0.550 380 N N 0.251 118.977 118.700 0.043 0.000 2.725 380 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 380 N C 0.028 175.394 175.510 -0.240 0.000 1.103 380 N CA 1.270 54.300 53.050 -0.032 0.000 0.707 380 N CB -0.619 37.917 38.487 0.081 0.000 1.043 380 N HN 0.661 nan 8.380 nan 0.000 0.553 381 D N -4.105 116.204 120.400 -0.152 0.000 3.079 381 D HA -0.236 4.404 4.640 -0.000 0.000 0.214 381 D C -0.413 175.738 176.300 -0.249 0.000 1.145 381 D CA 1.120 55.001 54.000 -0.199 0.000 0.958 381 D CB -1.446 39.210 40.800 -0.240 0.000 1.117 381 D HN 0.562 nan 8.370 nan 0.000 0.416 382 W N 0.564 121.832 121.300 -0.053 0.000 2.322 382 W HA 0.393 5.053 4.660 -0.000 0.000 0.307 382 W C 1.622 178.115 176.519 -0.045 0.000 1.220 382 W CA -0.732 56.589 57.345 -0.040 0.000 1.210 382 W CB 0.861 30.239 29.460 -0.136 0.000 1.223 382 W HN -0.199 nan 8.180 nan 0.000 0.511 383 V N 4.010 123.968 119.914 0.074 0.000 2.488 383 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 383 V C 1.125 177.241 176.094 0.037 0.000 1.046 383 V CA 1.052 63.298 62.300 -0.090 0.000 1.053 383 V CB -0.586 30.866 31.823 -0.618 0.000 0.679 383 V HN 0.841 nan 8.190 nan 0.000 0.458 384 c N 1.460 120.130 118.600 0.118 0.000 4.056 384 c HA -0.146 4.424 4.570 -0.000 0.000 0.302 384 c C 1.450 175.356 174.090 -0.306 0.000 1.356 384 c CA 0.773 57.149 56.329 0.079 0.000 2.074 384 c CB -2.923 39.619 42.510 0.053 0.000 1.328 384 c HN 0.806 nan 8.230 nan 0.000 0.684 385 E N 0.431 120.335 120.200 -0.493 0.000 2.160 385 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 385 E C 1.949 178.279 176.600 -0.449 0.000 0.991 385 E CA 1.658 57.391 56.400 -1.113 0.000 0.810 385 E CB -0.169 29.087 29.700 -0.740 0.000 0.742 385 E HN 0.969 nan 8.360 nan 0.000 0.466 386 H N -0.154 118.813 119.070 -0.172 0.000 2.545 386 H HA 0.093 4.649 4.556 -0.000 0.000 0.282 386 H C 1.351 176.794 175.328 0.190 0.000 1.020 386 H CA 0.921 57.020 56.048 0.085 0.000 1.243 386 H CB -0.019 29.735 29.762 -0.013 0.000 1.377 386 H HN 0.084 nan 8.280 nan 0.000 0.581 387 R N -0.748 119.455 120.500 -0.495 0.000 2.290 387 R HA 0.056 4.396 4.340 -0.000 0.000 0.197 387 R C -0.116 176.298 176.300 0.190 0.000 0.913 387 R CA -0.445 55.476 56.100 -0.298 0.000 1.040 387 R CB 0.267 30.218 30.300 -0.582 0.000 0.992 387 R HN 0.094 nan 8.270 nan 0.000 0.500 388 W N 2.043 123.367 121.300 0.040 0.000 2.295 388 W HA 0.042 4.702 4.660 -0.000 0.000 0.335 388 W C 1.598 178.195 176.519 0.130 0.000 1.351 388 W CA -0.669 56.731 57.345 0.092 0.000 1.273 388 W CB -0.002 29.543 29.460 0.141 0.000 1.214 388 W HN 0.109 nan 8.180 nan 0.000 0.563 389 R N 1.703 122.377 120.500 0.290 0.000 2.103 389 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 389 R C 1.431 177.855 176.300 0.206 0.000 1.142 389 R CA 2.335 58.558 56.100 0.204 0.000 0.960 389 R CB 0.093 30.453 30.300 0.101 0.000 0.858 389 R HN 0.439 nan 8.270 nan 0.000 0.439 390 E N -0.070 120.258 120.200 0.214 0.000 2.204 390 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 390 E C 1.644 178.417 176.600 0.289 0.000 0.990 390 E CA 1.235 57.754 56.400 0.198 0.000 0.821 390 E CB -0.023 29.812 29.700 0.226 0.000 0.750 390 E HN 0.384 nan 8.360 nan 0.000 0.477 391 I N -0.316 120.466 120.570 0.354 0.000 2.556 391 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 391 I C 2.273 178.562 176.117 0.286 0.000 1.105 391 I CA 0.531 62.016 61.300 0.308 0.000 1.436 391 I CB -0.368 37.820 38.000 0.313 0.000 1.139 391 I HN -0.044 nan 8.210 nan 0.000 0.438 392 R N 1.205 121.921 120.500 0.360 0.000 2.096 392 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 392 R C 1.697 178.158 176.300 0.269 0.000 1.139 392 R CA 1.994 58.332 56.100 0.397 0.000 0.952 392 R CB -0.368 30.210 30.300 0.464 0.000 0.854 392 R HN 0.326 nan 8.270 nan 0.000 0.436 393 N N -0.095 118.750 118.700 0.242 0.000 2.396 393 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 393 N C 1.483 177.176 175.510 0.304 0.000 1.028 393 N CA 0.897 54.097 53.050 0.250 0.000 0.893 393 N CB -0.037 38.558 38.487 0.181 0.000 0.967 393 N HN 0.254 nan 8.380 nan 0.000 0.440 394 M N 0.049 119.783 119.600 0.222 0.000 2.388 394 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 394 M C 1.929 178.311 176.300 0.138 0.000 1.088 394 M CA 0.506 55.910 55.300 0.174 0.000 1.134 394 M CB -0.624 32.033 32.600 0.096 0.000 1.384 394 M HN 0.002 nan 8.290 nan 0.000 0.447 395 V N -2.783 117.164 119.914 0.056 0.000 2.427 395 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 395 V C 2.184 178.227 176.094 -0.084 0.000 1.051 395 V CA 1.192 63.404 62.300 -0.145 0.000 1.048 395 V CB -1.252 30.247 31.823 -0.540 0.000 0.666 395 V HN 0.541 nan 8.190 nan 0.000 0.456 396 W N 0.516 121.749 121.300 -0.112 0.000 2.381 396 W HA -0.172 4.488 4.660 -0.000 0.000 0.301 396 W C 2.446 178.890 176.519 -0.124 0.000 1.205 396 W CA 1.764 59.045 57.345 -0.107 0.000 1.285 396 W CB -0.462 28.981 29.460 -0.029 0.000 1.133 396 W HN 0.380 nan 8.180 nan 0.000 0.521 397 F N 1.587 121.550 119.950 0.022 0.000 2.091 397 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 397 F C 2.814 178.511 175.800 -0.172 0.000 1.103 397 F CA 2.865 60.807 58.000 -0.097 0.000 1.228 397 F CB -0.635 38.422 39.000 0.096 0.000 0.984 397 F HN -0.236 nan 8.300 nan 0.000 0.477 398 R N 0.511 121.137 120.500 0.209 0.000 2.120 398 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 398 R C 1.972 178.186 176.300 -0.142 0.000 1.123 398 R CA 1.999 58.139 56.100 0.067 0.000 0.975 398 R CB -0.502 29.791 30.300 -0.012 0.000 0.866 398 R HN 0.498 nan 8.270 nan 0.000 0.446 399 N N -0.686 117.842 118.700 -0.285 0.000 2.106 399 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 399 N C 1.742 177.018 175.510 -0.390 0.000 1.029 399 N CA 1.322 54.140 53.050 -0.387 0.000 0.848 399 N CB 0.043 38.154 38.487 -0.625 0.000 1.007 399 N HN -0.008 nan 8.380 nan 0.000 0.423 400 V N 1.365 120.982 119.914 -0.495 0.000 2.332 400 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 400 V C 2.102 178.008 176.094 -0.313 0.000 1.055 400 V CA 1.595 63.636 62.300 -0.431 0.000 1.038 400 V CB -0.461 31.015 31.823 -0.579 0.000 0.651 400 V HN 0.364 nan 8.190 nan 0.000 0.450 401 V N -1.928 117.792 119.914 -0.322 0.000 3.633 401 V HA 0.226 4.346 4.120 -0.000 0.000 0.283 401 V C 0.658 176.690 176.094 -0.104 0.000 1.305 401 V CA -0.177 61.996 62.300 -0.211 0.000 1.153 401 V CB -0.500 31.183 31.823 -0.234 0.000 0.950 401 V HN 0.458 nan 8.190 nan 0.000 0.432 402 D N 1.717 122.046 120.400 -0.119 0.000 2.586 402 D HA 0.328 4.968 4.640 -0.000 0.000 0.234 402 D C 1.523 177.793 176.300 -0.050 0.000 1.132 402 D CA 2.093 56.046 54.000 -0.078 0.000 0.860 402 D CB 0.406 41.144 40.800 -0.103 0.000 1.159 402 D HN 0.654 nan 8.370 nan 0.000 0.490 403 G N 3.111 111.898 108.800 -0.022 0.000 2.253 403 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 403 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 403 G C 0.246 175.150 174.900 0.006 0.000 0.998 403 G CA 0.143 45.237 45.100 -0.010 0.000 0.621 403 G HN 0.589 nan 8.290 nan 0.000 0.524 404 Q N 1.604 121.409 119.800 0.009 0.000 2.314 404 Q HA 0.397 4.737 4.340 -0.000 0.000 0.258 404 Q C -1.979 174.063 176.000 0.069 0.000 0.954 404 Q CA -1.346 54.475 55.803 0.029 0.000 0.890 404 Q CB 1.484 30.231 28.738 0.015 0.000 1.210 404 Q HN 0.436 nan 8.270 nan 0.000 0.410 405 P HA 0.086 nan 4.420 nan 0.000 0.274 405 P C -0.490 176.926 177.300 0.193 0.000 1.231 405 P CA -0.449 62.727 63.100 0.127 0.000 0.790 405 P CB 0.489 32.254 31.700 0.108 0.000 0.951 406 F N 2.061 122.042 119.950 0.052 0.000 2.578 406 F HA 0.339 4.866 4.527 -0.000 0.000 0.376 406 F C -0.124 175.771 175.800 0.157 0.000 1.085 406 F CA 0.624 58.672 58.000 0.081 0.000 1.260 406 F CB 0.077 39.033 39.000 -0.074 0.000 1.095 406 F HN 0.563 nan 8.300 nan 0.000 0.573 407 A N 4.212 126.904 122.820 -0.213 0.000 2.599 407 A HA 0.448 4.768 4.320 -0.000 0.000 0.290 407 A C -0.131 177.430 177.584 -0.038 0.000 1.101 407 A CA -0.628 51.362 52.037 -0.078 0.000 0.674 407 A CB 0.780 19.813 19.000 0.055 0.000 1.277 407 A HN 0.862 nan 8.150 nan 0.000 0.419 408 N N -0.171 118.581 118.700 0.087 0.000 2.725 408 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 408 N C -0.357 175.331 175.510 0.296 0.000 1.031 408 N CA 1.248 54.412 53.050 0.191 0.000 0.720 408 N CB -0.723 37.875 38.487 0.185 0.000 0.930 408 N HN 0.686 nan 8.380 nan 0.000 0.543 409 W N 0.940 122.289 121.300 0.082 0.000 2.190 409 W HA 0.378 5.037 4.660 -0.000 0.000 0.330 409 W C -0.213 176.511 176.519 0.341 0.000 1.299 409 W CA -0.332 57.126 57.345 0.188 0.000 1.215 409 W CB 0.407 29.976 29.460 0.181 0.000 1.147 409 W HN 0.310 nan 8.180 nan 0.000 0.563 410 W N 7.785 128.710 121.300 -0.624 0.000 3.217 410 W HA 0.390 5.050 4.660 -0.000 0.000 0.323 410 W C -1.789 174.383 176.519 -0.577 0.000 1.216 410 W CA -0.686 56.459 57.345 -0.334 0.000 1.194 410 W CB 1.091 30.494 29.460 -0.095 0.000 1.397 410 W HN 0.483 nan 8.180 nan 0.000 0.537 411 D N 1.792 121.328 120.400 -1.439 0.000 2.623 411 D HA 0.226 4.866 4.640 -0.000 0.000 0.241 411 D C -0.409 175.052 176.300 -1.398 0.000 1.241 411 D CA -0.686 52.493 54.000 -1.368 0.000 0.788 411 D CB 1.208 41.813 40.800 -0.324 0.000 1.413 411 D HN 0.299 nan 8.370 nan 0.000 0.429 412 N N 0.662 118.798 118.700 -0.941 0.000 2.295 412 N HA 0.190 4.930 4.740 -0.000 0.000 0.221 412 N C 1.296 176.754 175.510 -0.087 0.000 1.129 412 N CA 0.240 53.082 53.050 -0.346 0.000 0.836 412 N CB 0.217 38.688 38.487 -0.028 0.000 1.040 412 N HN 1.053 nan 8.380 nan 0.000 0.494 413 G N -1.344 107.393 108.800 -0.104 0.000 2.168 413 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 413 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 413 G C 0.341 175.262 174.900 0.035 0.000 0.977 413 G CA 0.790 45.901 45.100 0.018 0.000 0.659 413 G HN 0.653 nan 8.290 nan 0.000 0.533 414 S N -1.257 114.435 115.700 -0.013 0.000 3.894 414 S HA 0.429 4.899 4.470 -0.000 0.000 0.189 414 S C 0.869 175.371 174.600 -0.164 0.000 1.096 414 S CA 0.476 58.658 58.200 -0.031 0.000 1.481 414 S CB 0.272 63.552 63.200 0.134 0.000 1.321 414 S HN 0.196 nan 8.310 nan 0.000 0.828 415 N N 1.415 119.985 118.700 -0.217 0.000 2.235 415 N HA 0.293 5.033 4.740 -0.000 0.000 0.231 415 N C -1.112 174.254 175.510 -0.240 0.000 1.177 415 N CA 0.076 52.966 53.050 -0.267 0.000 0.874 415 N CB 0.979 39.284 38.487 -0.303 0.000 1.097 415 N HN 0.461 nan 8.380 nan 0.000 0.518 416 Q N 0.868 120.542 119.800 -0.210 0.000 2.322 416 Q HA 0.581 4.921 4.340 -0.000 0.000 0.265 416 Q C -0.828 175.042 176.000 -0.218 0.000 0.985 416 Q CA -0.443 55.298 55.803 -0.103 0.000 0.849 416 Q CB 2.886 31.648 28.738 0.041 0.000 1.274 416 Q HN -0.136 nan 8.270 nan 0.000 0.449 417 V N 0.661 120.548 119.914 -0.045 0.000 3.114 417 V HA 0.930 5.050 4.120 -0.000 0.000 0.308 417 V C -1.234 174.883 176.094 0.039 0.000 1.168 417 V CA -0.765 61.410 62.300 -0.208 0.000 1.015 417 V CB 2.217 33.894 31.823 -0.244 0.000 1.050 417 V HN 0.852 nan 8.190 nan 0.000 0.433 418 A N 2.738 125.456 122.820 -0.170 0.000 2.589 418 A HA 1.020 5.340 4.320 -0.000 0.000 0.296 418 A C -1.456 175.993 177.584 -0.224 0.000 1.062 418 A CA -0.473 51.417 52.037 -0.244 0.000 0.686 418 A CB 1.874 20.753 19.000 -0.201 0.000 1.282 418 A HN 1.823 nan 8.150 nan 0.000 0.404 419 F N -0.769 118.852 119.950 -0.548 0.000 2.741 419 F HA 0.847 5.374 4.527 -0.000 0.000 0.311 419 F C -0.058 175.605 175.800 -0.229 0.000 1.149 419 F CA -0.240 57.609 58.000 -0.252 0.000 0.930 419 F CB 0.761 39.704 39.000 -0.095 0.000 1.312 419 F HN 1.112 nan 8.300 nan 0.000 0.450 420 G N 0.535 109.493 108.800 0.263 0.000 2.816 420 G HA2 0.706 4.666 3.960 -0.000 0.000 0.288 420 G HA3 0.706 4.666 3.960 -0.000 0.000 0.288 420 G C -1.645 173.417 174.900 0.270 0.000 1.334 420 G CA -1.336 43.948 45.100 0.306 0.000 0.978 420 G HN 0.598 nan 8.290 nan 0.000 0.493 421 R N 0.181 120.805 120.500 0.206 0.000 2.407 421 R HA 0.502 4.842 4.340 -0.000 0.000 0.298 421 R C 0.820 177.168 176.300 0.080 0.000 1.166 421 R CA 0.029 56.226 56.100 0.163 0.000 1.006 421 R CB 0.412 30.804 30.300 0.153 0.000 1.145 421 R HN 1.316 nan 8.270 nan 0.000 0.538 422 G N 3.645 112.492 108.800 0.079 0.000 2.634 422 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.309 422 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.309 422 G C 0.332 175.247 174.900 0.025 0.000 1.265 422 G CA 0.693 45.820 45.100 0.045 0.000 0.998 422 G HN 0.672 nan 8.290 nan 0.000 0.551 423 N N 0.756 119.459 118.700 0.005 0.000 2.275 423 N HA 0.187 4.927 4.740 -0.000 0.000 0.236 423 N C 1.320 176.821 175.510 -0.015 0.000 1.154 423 N CA 0.172 53.217 53.050 -0.009 0.000 0.866 423 N CB 0.472 38.956 38.487 -0.005 0.000 1.093 423 N HN 0.703 nan 8.380 nan 0.000 0.515 424 R N -0.984 119.498 120.500 -0.031 0.000 2.373 424 R HA 0.332 4.672 4.340 -0.000 0.000 0.221 424 R C 0.254 176.478 176.300 -0.127 0.000 0.893 424 R CA 0.333 56.397 56.100 -0.061 0.000 1.049 424 R CB 1.148 31.393 30.300 -0.091 0.000 1.119 424 R HN 0.227 nan 8.270 nan 0.000 0.535 425 G N 0.414 109.144 108.800 -0.117 0.000 2.673 425 G HA2 0.499 4.459 3.960 -0.000 0.000 0.292 425 G HA3 0.499 4.459 3.960 -0.000 0.000 0.292 425 G C -2.118 172.891 174.900 0.181 0.000 1.450 425 G CA -0.405 44.602 45.100 -0.156 0.000 0.837 425 G HN 0.002 nan 8.290 nan 0.000 0.505 426 F N 0.878 120.884 119.950 0.093 0.000 2.628 426 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 426 F C -1.573 174.170 175.800 -0.095 0.000 1.108 426 F CA -1.218 56.765 58.000 -0.029 0.000 0.971 426 F CB 2.103 41.038 39.000 -0.109 0.000 1.279 426 F HN 0.481 nan 8.300 nan 0.000 0.441 427 I N 5.740 125.681 120.570 -1.049 0.000 2.686 427 I HA 0.646 4.816 4.170 -0.000 0.000 0.295 427 I C -2.005 173.368 176.117 -1.240 0.000 1.114 427 I CA -0.883 59.812 61.300 -1.007 0.000 1.038 427 I CB 1.864 39.259 38.000 -1.008 0.000 1.238 427 I HN 0.469 nan 8.210 nan 0.000 0.420 428 V N 7.876 127.180 119.914 -1.018 0.000 2.577 428 V HA 0.628 4.748 4.120 -0.000 0.000 0.303 428 V C -1.613 174.134 176.094 -0.578 0.000 1.042 428 V CA -0.308 61.531 62.300 -0.768 0.000 0.872 428 V CB 1.902 33.191 31.823 -0.890 0.000 0.998 428 V HN 0.525 nan 8.190 nan 0.000 0.423 429 F N 4.767 124.637 119.950 -0.132 0.000 2.508 429 F HA 0.599 5.126 4.527 -0.000 0.000 0.325 429 F C 0.215 175.985 175.800 -0.050 0.000 1.090 429 F CA -0.669 57.298 58.000 -0.056 0.000 0.945 429 F CB 1.956 40.888 39.000 -0.113 0.000 1.156 429 F HN 0.525 nan 8.300 nan 0.000 0.463 430 N N 1.831 120.619 118.700 0.147 0.000 2.626 430 N HA 0.172 4.912 4.740 -0.000 0.000 0.249 430 N C -0.822 174.656 175.510 -0.053 0.000 1.021 430 N CA -0.234 52.824 53.050 0.014 0.000 0.886 430 N CB 0.384 38.870 38.487 -0.002 0.000 1.149 430 N HN 0.558 nan 8.380 nan 0.000 0.517 431 N N 1.934 120.551 118.700 -0.139 0.000 2.275 431 N HA 0.163 4.903 4.740 -0.000 0.000 0.236 431 N C -1.053 174.289 175.510 -0.279 0.000 1.154 431 N CA -0.169 52.772 53.050 -0.183 0.000 0.866 431 N CB 0.292 38.652 38.487 -0.211 0.000 1.093 431 N HN 0.482 nan 8.380 nan 0.000 0.515 432 D N -0.613 119.531 120.400 -0.426 0.000 2.387 432 D HA 0.169 4.809 4.640 -0.000 0.000 0.255 432 D C -0.269 175.720 176.300 -0.519 0.000 1.081 432 D CA -0.217 53.352 54.000 -0.719 0.000 0.994 432 D CB 1.037 40.895 40.800 -1.570 0.000 1.127 432 D HN 0.065 nan 8.370 nan 0.000 0.513 433 D N 0.901 121.079 120.400 -0.369 0.000 2.519 433 D HA 0.150 4.790 4.640 -0.000 0.000 0.238 433 D C -0.167 176.251 176.300 0.197 0.000 1.192 433 D CA -0.029 53.961 54.000 -0.016 0.000 0.835 433 D CB -0.172 40.698 40.800 0.116 0.000 0.975 433 D HN 0.298 nan 8.370 nan 0.000 0.490 434 W N -0.842 120.480 121.300 0.035 0.000 3.025 434 W HA 0.339 4.999 4.660 -0.000 0.000 0.343 434 W C -0.660 175.891 176.519 0.053 0.000 1.246 434 W CA -1.151 56.219 57.345 0.041 0.000 1.178 434 W CB 0.283 29.767 29.460 0.040 0.000 1.463 434 W HN -0.368 nan 8.180 nan 0.000 0.578 435 Q N 2.075 122.079 119.800 0.339 0.000 2.361 435 Q HA 0.217 4.557 4.340 -0.000 0.000 0.276 435 Q C -1.033 175.120 176.000 0.255 0.000 1.022 435 Q CA -0.232 55.702 55.803 0.219 0.000 0.898 435 Q CB 0.976 29.826 28.738 0.186 0.000 1.246 435 Q HN 0.768 nan 8.270 nan 0.000 0.410 436 L N 2.810 124.125 121.223 0.153 0.000 2.282 436 L HA 0.407 4.747 4.340 -0.000 0.000 0.288 436 L C -0.983 175.979 176.870 0.154 0.000 1.033 436 L CA -0.073 54.873 54.840 0.176 0.000 0.807 436 L CB 1.574 43.708 42.059 0.126 0.000 1.209 436 L HN 0.567 nan 8.230 nan 0.000 0.423 437 S N 3.250 119.046 115.700 0.161 0.000 2.571 437 S HA 0.643 5.113 4.470 -0.000 0.000 0.238 437 S C -1.297 173.348 174.600 0.076 0.000 1.153 437 S CA -0.356 57.910 58.200 0.109 0.000 1.141 437 S CB 0.755 64.019 63.200 0.107 0.000 1.133 437 S HN 0.717 nan 8.310 nan 0.000 0.464 438 S N 2.027 117.737 115.700 0.016 0.000 2.550 438 S HA 0.563 5.033 4.470 -0.000 0.000 0.270 438 S C -1.003 173.553 174.600 -0.072 0.000 1.145 438 S CA -0.756 57.397 58.200 -0.078 0.000 0.852 438 S CB 2.049 65.059 63.200 -0.318 0.000 1.119 438 S HN 0.531 nan 8.310 nan 0.000 0.465 439 T N 3.276 117.771 114.554 -0.098 0.000 2.743 439 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 439 T C -0.836 173.785 174.700 -0.131 0.000 0.972 439 T CA -0.490 61.560 62.100 -0.085 0.000 0.967 439 T CB 0.063 68.888 68.868 -0.071 0.000 0.926 439 T HN 0.223 nan 8.240 nan 0.000 0.459 440 L N 2.820 124.003 121.223 -0.067 0.000 2.341 440 L HA 0.547 4.887 4.340 -0.000 0.000 0.267 440 L C 0.148 176.918 176.870 -0.167 0.000 1.009 440 L CA -1.141 53.621 54.840 -0.129 0.000 0.819 440 L CB 1.564 43.562 42.059 -0.102 0.000 1.323 440 L HN 0.532 nan 8.230 nan 0.000 0.425 441 Q N 0.746 120.432 119.800 -0.191 0.000 2.296 441 Q HA 0.191 4.530 4.340 -0.000 0.000 0.263 441 Q C 0.826 176.480 176.000 -0.578 0.000 1.026 441 Q CA 0.295 55.944 55.803 -0.257 0.000 0.912 441 Q CB 1.039 29.704 28.738 -0.122 0.000 1.198 441 Q HN 0.775 nan 8.270 nan 0.000 0.407 442 T N 0.487 114.591 114.554 -0.751 0.000 3.054 442 T HA 0.217 4.567 4.350 -0.000 0.000 0.259 442 T C 1.324 175.666 174.700 -0.597 0.000 1.092 442 T CA 0.496 61.826 62.100 -1.283 0.000 1.121 442 T CB -0.136 68.209 68.868 -0.873 0.000 0.912 442 T HN 1.013 nan 8.240 nan 0.000 0.489 443 G N 0.899 109.503 108.800 -0.328 0.000 2.184 443 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.264 443 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.264 443 G C -0.214 174.608 174.900 -0.129 0.000 0.975 443 G CA 0.274 45.281 45.100 -0.156 0.000 0.642 443 G HN 0.575 nan 8.290 nan 0.000 0.536 444 L N 0.964 122.073 121.223 -0.189 0.000 2.360 444 L HA 0.642 4.982 4.340 -0.000 0.000 0.271 444 L C -1.753 175.081 176.870 -0.060 0.000 1.057 444 L CA -2.253 52.505 54.840 -0.136 0.000 0.803 444 L CB 0.710 42.592 42.059 -0.296 0.000 1.207 444 L HN -0.158 nan 8.230 nan 0.000 0.445 445 P HA 0.164 nan 4.420 nan 0.000 0.269 445 P C -0.122 177.237 177.300 0.099 0.000 1.209 445 P CA -0.300 62.834 63.100 0.058 0.000 0.776 445 P CB 0.475 32.222 31.700 0.080 0.000 0.876 446 G N 1.094 109.904 108.800 0.017 0.000 2.559 446 G HA2 0.449 4.409 3.960 -0.000 0.000 0.235 446 G HA3 0.449 4.409 3.960 -0.000 0.000 0.235 446 G C 0.165 175.078 174.900 0.021 0.000 1.266 446 G CA 0.497 45.585 45.100 -0.019 0.000 0.847 446 G HN 0.791 nan 8.290 nan 0.000 0.583 447 G N -0.916 107.882 108.800 -0.003 0.000 2.359 447 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 447 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 447 G C -0.810 174.087 174.900 -0.006 0.000 1.300 447 G CA -0.390 44.678 45.100 -0.054 0.000 0.888 447 G HN 0.817 nan 8.290 nan 0.000 0.541 448 T N 0.973 115.470 114.554 -0.095 0.000 2.758 448 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 448 T C -1.147 173.451 174.700 -0.170 0.000 0.981 448 T CA 0.139 62.243 62.100 0.007 0.000 0.965 448 T CB 0.644 69.525 68.868 0.022 0.000 0.927 448 T HN 0.379 nan 8.240 nan 0.000 0.448 449 Y N 0.589 120.877 120.300 -0.021 0.000 2.429 449 Y HA 0.424 4.974 4.550 0.000 0.000 0.342 449 Y C 0.438 176.310 175.900 -0.048 0.000 1.004 449 Y CA -1.071 57.003 58.100 -0.043 0.000 1.075 449 Y CB 1.135 39.569 38.460 -0.044 0.000 1.214 449 Y HN 0.560 nan 8.280 nan 0.000 0.455 450 c N 2.140 120.785 118.600 0.076 0.000 2.435 450 c HA 0.147 4.717 4.570 -0.000 0.000 0.375 450 c C 0.287 174.383 174.090 0.010 0.000 1.281 450 c CA -0.716 55.622 56.329 0.015 0.000 1.963 450 c CB -0.424 42.068 42.510 -0.030 0.000 2.490 450 c HN 0.748 nan 8.230 nan 0.000 0.557 451 D N 1.738 122.140 120.400 0.003 0.000 2.358 451 D HA 0.144 4.784 4.640 -0.000 0.000 0.258 451 D C 0.983 177.254 176.300 -0.049 0.000 1.223 451 D CA -0.278 53.711 54.000 -0.017 0.000 0.886 451 D CB 0.948 41.731 40.800 -0.028 0.000 1.120 451 D HN 0.448 nan 8.370 nan 0.000 0.482 452 V N 2.639 122.527 119.914 -0.044 0.000 3.573 452 V HA 0.024 4.144 4.120 -0.000 0.000 0.270 452 V C 1.408 177.466 176.094 -0.060 0.000 1.221 452 V CA 0.285 62.572 62.300 -0.022 0.000 1.163 452 V CB -0.647 31.218 31.823 0.071 0.000 0.847 452 V HN 0.517 nan 8.190 nan 0.000 0.468 453 I N 2.043 122.512 120.570 -0.167 0.000 2.628 453 I HA -0.005 4.165 4.170 -0.000 0.000 0.255 453 I C 2.686 178.681 176.117 -0.203 0.000 1.119 453 I CA 1.856 62.980 61.300 -0.293 0.000 1.448 453 I CB -0.910 36.679 38.000 -0.685 0.000 1.133 453 I HN 0.595 nan 8.210 nan 0.000 0.438 454 S N -0.260 115.343 115.700 -0.163 0.000 2.478 454 S HA 0.301 4.771 4.470 -0.000 0.000 0.222 454 S C 1.047 175.607 174.600 -0.066 0.000 1.008 454 S CA 0.419 58.554 58.200 -0.108 0.000 0.928 454 S CB 0.138 63.284 63.200 -0.090 0.000 0.781 454 S HN 0.426 nan 8.310 nan 0.000 0.518 455 G N -0.241 108.524 108.800 -0.057 0.000 2.664 455 G HA2 0.521 4.481 3.960 -0.000 0.000 0.303 455 G HA3 0.521 4.481 3.960 -0.000 0.000 0.303 455 G C -2.333 172.548 174.900 -0.032 0.000 1.243 455 G CA -0.647 44.430 45.100 -0.037 0.000 0.826 455 G HN 0.206 nan 8.290 nan 0.000 0.498 456 D N -0.376 120.003 120.400 -0.034 0.000 2.552 456 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 456 D C -0.991 175.279 176.300 -0.051 0.000 1.139 456 D CA -0.589 53.384 54.000 -0.045 0.000 0.914 456 D CB 2.920 43.693 40.800 -0.045 0.000 1.461 456 D HN 0.395 nan 8.370 nan 0.000 0.462 457 K N 1.242 121.602 120.400 -0.066 0.000 2.262 457 K HA 0.375 4.695 4.320 -0.000 0.000 0.282 457 K C -0.844 175.717 176.600 -0.064 0.000 1.066 457 K CA -0.507 55.743 56.287 -0.062 0.000 0.901 457 K CB 0.690 33.150 32.500 -0.067 0.000 1.089 457 K HN 0.284 nan 8.250 nan 0.000 0.476 458 V N 2.064 121.947 119.914 -0.050 0.000 2.443 458 V HA 0.731 4.851 4.120 -0.000 0.000 0.293 458 V C 0.454 176.525 176.094 -0.038 0.000 1.021 458 V CA 0.149 62.422 62.300 -0.045 0.000 0.848 458 V CB 0.363 32.164 31.823 -0.036 0.000 0.998 458 V HN 1.073 nan 8.190 nan 0.000 0.424 459 G N 5.297 114.075 108.800 -0.037 0.000 2.556 459 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.283 459 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.283 459 G C 0.462 175.341 174.900 -0.034 0.000 1.177 459 G CA 0.605 45.687 45.100 -0.031 0.000 0.978 459 G HN 1.899 nan 8.290 nan 0.000 0.554 460 N N 1.011 119.691 118.700 -0.033 0.000 2.380 460 N HA 0.356 5.096 4.740 -0.000 0.000 0.255 460 N C 0.316 175.803 175.510 -0.039 0.000 1.158 460 N CA 0.970 53.998 53.050 -0.037 0.000 0.878 460 N CB 0.294 38.761 38.487 -0.034 0.000 1.138 460 N HN 1.401 nan 8.380 nan 0.000 0.509 461 S N -1.037 114.640 115.700 -0.038 0.000 2.661 461 S HA 0.657 5.127 4.470 -0.000 0.000 0.285 461 S C -0.763 173.814 174.600 -0.038 0.000 1.138 461 S CA -0.685 57.493 58.200 -0.037 0.000 0.855 461 S CB 1.352 64.533 63.200 -0.032 0.000 1.136 461 S HN 0.184 nan 8.310 nan 0.000 0.484 462 c N 1.465 120.044 118.600 -0.035 0.000 2.391 462 c HA 0.740 5.310 4.570 -0.000 0.000 0.339 462 c C 2.014 176.086 174.090 -0.030 0.000 1.205 462 c CA 0.054 56.363 56.329 -0.033 0.000 1.937 462 c CB 1.034 43.528 42.510 -0.028 0.000 2.341 462 c HN 1.088 nan 8.230 nan 0.000 0.516 463 T N -1.117 113.419 114.554 -0.030 0.000 3.044 463 T HA 0.320 4.670 4.350 -0.000 0.000 0.250 463 T C 0.782 175.466 174.700 -0.027 0.000 1.081 463 T CA 0.646 62.730 62.100 -0.027 0.000 1.040 463 T CB 0.167 69.020 68.868 -0.025 0.000 0.962 463 T HN 0.860 nan 8.240 nan 0.000 0.506 464 G N 0.962 109.744 108.800 -0.029 0.000 3.264 464 G HA2 0.660 4.620 3.960 -0.000 0.000 0.168 464 G HA3 0.660 4.620 3.960 -0.000 0.000 0.168 464 G C -0.699 174.185 174.900 -0.027 0.000 1.145 464 G CA -1.271 43.810 45.100 -0.032 0.000 0.855 464 G HN 0.402 nan 8.290 nan 0.000 0.629 465 I N 0.983 121.536 120.570 -0.028 0.000 2.752 465 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 465 I C 0.144 176.256 176.117 -0.007 0.000 1.188 465 I CA 0.524 61.813 61.300 -0.018 0.000 1.427 465 I CB 0.719 38.709 38.000 -0.017 0.000 1.365 465 I HN 0.150 nan 8.210 nan 0.000 0.585 466 K N 4.796 125.195 120.400 -0.003 0.000 2.221 466 K HA 0.645 4.965 4.320 -0.000 0.000 0.258 466 K C -1.315 175.294 176.600 0.016 0.000 0.944 466 K CA -0.760 55.535 56.287 0.013 0.000 0.823 466 K CB 2.479 34.983 32.500 0.006 0.000 1.113 466 K HN 0.261 nan 8.250 nan 0.000 0.431 467 V N 3.226 123.167 119.914 0.045 0.000 2.409 467 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 467 V C -1.161 174.971 176.094 0.063 0.000 1.020 467 V CA -0.913 61.379 62.300 -0.014 0.000 0.848 467 V CB 0.913 32.718 31.823 -0.031 0.000 0.990 467 V HN 0.640 nan 8.190 nan 0.000 0.430 468 Y N 5.471 125.703 120.300 -0.113 0.000 2.404 468 Y HA 0.622 5.172 4.550 -0.000 0.000 0.344 468 Y C -0.284 175.560 175.900 -0.093 0.000 0.970 468 Y CA -0.748 57.311 58.100 -0.068 0.000 1.180 468 Y CB 1.537 39.947 38.460 -0.083 0.000 1.138 468 Y HN 0.456 nan 8.280 nan 0.000 0.510 469 V N 7.880 127.459 119.914 -0.559 0.000 2.394 469 V HA 0.503 4.623 4.120 -0.000 0.000 0.282 469 V C -0.180 175.408 176.094 -0.844 0.000 1.031 469 V CA -0.099 61.865 62.300 -0.560 0.000 0.881 469 V CB 0.762 32.452 31.823 -0.222 0.000 0.982 469 V HN 0.986 nan 8.190 nan 0.000 0.451 470 S N 4.453 119.712 115.700 -0.735 0.000 2.655 470 S HA 0.202 4.672 4.470 -0.000 0.000 0.265 470 S C 1.600 176.062 174.600 -0.229 0.000 1.240 470 S CA 0.081 57.986 58.200 -0.491 0.000 0.986 470 S CB 1.143 64.198 63.200 -0.242 0.000 0.985 470 S HN 1.404 nan 8.310 nan 0.000 0.562 471 S N 0.670 116.305 115.700 -0.108 0.000 2.392 471 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 471 S C 1.179 175.737 174.600 -0.069 0.000 1.041 471 S CA 1.504 59.667 58.200 -0.061 0.000 1.026 471 S CB -1.144 62.042 63.200 -0.023 0.000 0.845 471 S HN 0.929 nan 8.310 nan 0.000 0.465 472 D N 0.659 121.011 120.400 -0.080 0.000 2.349 472 D HA 0.239 4.879 4.640 -0.000 0.000 0.224 472 D C 1.405 177.643 176.300 -0.103 0.000 1.029 472 D CA 0.632 54.587 54.000 -0.074 0.000 0.879 472 D CB -0.807 39.957 40.800 -0.060 0.000 0.906 472 D HN 0.670 nan 8.370 nan 0.000 0.528 473 G N 0.035 108.752 108.800 -0.139 0.000 2.179 473 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 473 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 473 G C 0.464 175.225 174.900 -0.233 0.000 0.977 473 G CA 0.631 45.624 45.100 -0.178 0.000 0.641 473 G HN 0.817 nan 8.290 nan 0.000 0.533 474 T N -1.717 112.710 114.554 -0.211 0.000 2.922 474 T HA 0.901 5.251 4.350 -0.000 0.000 0.285 474 T C 0.011 174.549 174.700 -0.269 0.000 1.005 474 T CA 0.507 62.479 62.100 -0.214 0.000 1.061 474 T CB 2.387 71.166 68.868 -0.148 0.000 1.007 474 T HN 1.916 nan 8.240 nan 0.000 0.502 475 A N 1.393 124.051 122.820 -0.270 0.000 2.594 475 A HA 0.656 4.976 4.320 -0.000 0.000 0.295 475 A C -0.920 176.397 177.584 -0.445 0.000 1.071 475 A CA -0.979 50.810 52.037 -0.414 0.000 0.685 475 A CB 1.896 20.535 19.000 -0.602 0.000 1.285 475 A HN 0.857 nan 8.150 nan 0.000 0.405 476 Q N 0.651 120.192 119.800 -0.432 0.000 2.274 476 Q HA 0.668 5.008 4.340 -0.000 0.000 0.256 476 Q C -1.941 173.774 176.000 -0.476 0.000 0.927 476 Q CA 0.338 55.961 55.803 -0.300 0.000 0.939 476 Q CB 0.217 28.867 28.738 -0.147 0.000 1.201 476 Q HN 0.426 nan 8.270 nan 0.000 0.426 477 F N 1.706 121.611 119.950 -0.075 0.000 2.482 477 F HA 0.533 5.060 4.527 -0.000 0.000 0.331 477 F C -0.216 175.558 175.800 -0.043 0.000 1.115 477 F CA -0.612 57.351 58.000 -0.061 0.000 0.955 477 F CB 2.432 41.380 39.000 -0.086 0.000 1.136 477 F HN 0.433 nan 8.300 nan 0.000 0.452 478 S N 4.329 120.115 115.700 0.143 0.000 2.774 478 S HA 0.665 5.135 4.470 -0.000 0.000 0.297 478 S C -1.027 173.626 174.600 0.088 0.000 1.143 478 S CA -0.354 57.902 58.200 0.094 0.000 1.090 478 S CB 0.509 63.740 63.200 0.052 0.000 1.019 478 S HN 0.335 nan 8.310 nan 0.000 0.482 479 I N 2.284 122.906 120.570 0.088 0.000 2.439 479 I HA 0.392 4.562 4.170 -0.000 0.000 0.285 479 I C 0.355 176.507 176.117 0.058 0.000 1.021 479 I CA -0.297 61.041 61.300 0.064 0.000 1.091 479 I CB 1.865 39.897 38.000 0.054 0.000 1.242 479 I HN 0.495 nan 8.210 nan 0.000 0.439 480 S N 4.348 120.077 115.700 0.049 0.000 2.580 480 S HA 0.166 4.636 4.470 -0.000 0.000 0.274 480 S C 1.357 175.978 174.600 0.035 0.000 1.329 480 S CA -0.467 57.763 58.200 0.050 0.000 1.036 480 S CB 0.486 63.713 63.200 0.044 0.000 0.919 480 S HN 0.729 nan 8.310 nan 0.000 0.515 481 N N 2.372 121.091 118.700 0.031 0.000 2.550 481 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 481 N C 1.101 176.623 175.510 0.019 0.000 1.110 481 N CA 0.952 54.005 53.050 0.005 0.000 0.912 481 N CB -0.354 38.124 38.487 -0.013 0.000 0.968 481 N HN 0.549 nan 8.380 nan 0.000 0.448 482 S N -1.169 114.548 115.700 0.030 0.000 2.556 482 S HA 0.453 4.923 4.470 -0.000 0.000 0.216 482 S C 0.841 175.455 174.600 0.023 0.000 0.970 482 S CA -0.479 57.738 58.200 0.027 0.000 0.912 482 S CB -0.044 63.174 63.200 0.030 0.000 0.790 482 S HN 0.469 nan 8.310 nan 0.000 0.504 483 A N 2.785 125.620 122.820 0.025 0.000 2.483 483 A HA 0.346 4.666 4.320 -0.000 0.000 0.238 483 A C 1.678 179.275 177.584 0.021 0.000 1.070 483 A CA -0.041 52.007 52.037 0.019 0.000 0.770 483 A CB 0.276 19.287 19.000 0.019 0.000 1.008 483 A HN 0.486 nan 8.150 nan 0.000 0.497 484 E N 1.579 121.783 120.200 0.007 0.000 2.070 484 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 484 E C -0.528 176.089 176.600 0.029 0.000 1.004 484 E CA 1.566 57.969 56.400 0.004 0.000 0.805 484 E CB -0.320 29.368 29.700 -0.020 0.000 0.744 484 E HN 0.609 nan 8.360 nan 0.000 0.451 485 D N 1.783 122.196 120.400 0.022 0.000 2.469 485 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 485 D C -2.254 174.101 176.300 0.092 0.000 1.173 485 D CA -1.573 52.474 54.000 0.079 0.000 0.882 485 D CB 2.046 42.803 40.800 -0.073 0.000 1.129 485 D HN 0.077 nan 8.370 nan 0.000 0.549 486 P HA 0.116 nan 4.420 nan 0.000 0.237 486 P C -0.766 176.697 177.300 0.271 0.000 1.723 486 P CA -0.180 63.022 63.100 0.170 0.000 0.882 486 P CB -0.891 30.879 31.700 0.116 0.000 1.810 487 F N -1.383 118.517 119.950 -0.084 0.000 2.678 487 F HA 0.691 5.218 4.527 -0.000 0.000 0.308 487 F C -1.767 173.877 175.800 -0.260 0.000 1.118 487 F CA -1.718 56.133 58.000 -0.248 0.000 0.959 487 F CB 0.855 39.625 39.000 -0.383 0.000 1.305 487 F HN -0.358 nan 8.300 nan 0.000 0.443 488 I N 2.503 122.884 120.570 -0.316 0.000 2.608 488 I HA 0.848 5.018 4.170 -0.000 0.000 0.295 488 I C -0.728 175.204 176.117 -0.309 0.000 1.049 488 I CA -0.895 60.231 61.300 -0.290 0.000 1.063 488 I CB 2.160 40.116 38.000 -0.072 0.000 1.248 488 I HN 1.008 nan 8.210 nan 0.000 0.424 489 A N 6.605 129.306 122.820 -0.198 0.000 2.455 489 A HA 0.929 5.249 4.320 -0.000 0.000 0.300 489 A C -1.202 176.431 177.584 0.081 0.000 1.040 489 A CA -0.474 51.508 52.037 -0.093 0.000 0.697 489 A CB 1.532 20.431 19.000 -0.169 0.000 1.265 489 A HN 0.612 nan 8.150 nan 0.000 0.407 490 I N -0.185 120.493 120.570 0.181 0.000 2.865 490 I HA 0.926 5.096 4.170 -0.000 0.000 0.302 490 I C -0.805 175.363 176.117 0.085 0.000 1.140 490 I CA -0.739 60.598 61.300 0.062 0.000 1.021 490 I CB 1.239 39.216 38.000 -0.038 0.000 1.233 490 I HN 1.013 nan 8.210 nan 0.000 0.427 491 H N 2.073 121.194 119.070 0.084 0.000 2.960 491 H HA 0.773 5.329 4.556 -0.000 0.000 0.323 491 H C 0.452 175.868 175.328 0.147 0.000 1.326 491 H CA -0.248 55.769 56.048 -0.052 0.000 1.124 491 H CB 0.856 30.450 29.762 -0.280 0.000 1.853 491 H HN 0.648 nan 8.280 nan 0.000 0.536 492 A N 0.098 123.116 122.820 0.330 0.000 1.958 492 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 492 A C 1.363 179.141 177.584 0.324 0.000 1.178 492 A CA 2.073 54.295 52.037 0.308 0.000 0.642 492 A CB -0.842 18.246 19.000 0.147 0.000 0.816 492 A HN 0.786 nan 8.150 nan 0.000 0.453 493 E N -0.305 120.222 120.200 0.545 0.000 2.465 493 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 493 E C 1.178 177.930 176.600 0.254 0.000 1.053 493 E CA 0.492 57.141 56.400 0.415 0.000 0.869 493 E CB 0.067 30.075 29.700 0.514 0.000 0.977 493 E HN 0.733 nan 8.360 nan 0.000 0.483 494 S N 0.094 115.806 115.700 0.020 0.000 2.539 494 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 494 S C 0.554 175.128 174.600 -0.043 0.000 0.987 494 S CA -0.471 57.650 58.200 -0.132 0.000 0.929 494 S CB 0.162 63.113 63.200 -0.414 0.000 0.832 494 S HN -0.026 nan 8.310 nan 0.000 0.492 495 K N 1.293 121.645 120.400 -0.080 0.000 2.298 495 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 495 K C -0.445 176.004 176.600 -0.251 0.000 1.032 495 K CA -0.631 55.403 56.287 -0.422 0.000 0.958 495 K CB 0.376 32.474 32.500 -0.669 0.000 0.978 495 K HN 0.120 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.071 121.223 -0.253 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.752 54.840 -0.147 0.000 0.813 496 L CB 0.000 41.992 42.059 -0.112 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502