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 1vah_1_A DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGNREFPAVP 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 NQRGHGAGGA SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGEPFANWW 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 0.000 175.855 176.000 -0.241 0.000 1.003 1 Q CA 0.000 55.619 55.803 -0.307 0.000 1.022 1 Q CB 0.000 28.378 28.738 -0.601 0.000 1.108 2 Y N 1.272 121.667 120.300 0.158 0.000 2.509 2 Y HA 0.710 5.261 4.550 0.000 0.000 0.270 2 Y C 1.010 176.984 175.900 0.124 0.000 1.103 2 Y CA -0.091 58.115 58.100 0.176 0.000 1.278 2 Y CB 0.410 38.903 38.460 0.055 0.000 1.087 2 Y HN 0.144 nan 8.280 nan 0.000 0.542 3 A N 1.694 124.606 122.820 0.154 0.000 2.362 3 A HA 0.311 4.632 4.320 0.000 0.000 0.276 3 A C -1.717 175.651 177.584 -0.360 0.000 1.153 3 A CA -1.315 50.673 52.037 -0.082 0.000 0.813 3 A CB 0.301 19.291 19.000 -0.017 0.000 1.081 3 A HN 0.081 nan 8.150 nan 0.000 0.507 4 P HA -0.149 nan 4.420 nan 0.000 0.218 4 P C 0.044 177.091 177.300 -0.421 0.000 1.148 4 P CA 0.971 63.226 63.100 -1.408 0.000 0.822 4 P CB 0.121 30.990 31.700 -1.384 0.000 0.784 5 Q N -2.009 117.684 119.800 -0.177 0.000 2.503 5 Q HA -0.131 4.209 4.340 0.000 0.000 0.267 5 Q C -0.065 176.029 176.000 0.158 0.000 1.030 5 Q CA 1.337 57.173 55.803 0.056 0.000 1.041 5 Q CB -3.221 25.563 28.738 0.077 0.000 1.406 5 Q HN 0.404 nan 8.270 nan 0.000 0.524 6 T N -2.663 111.933 114.554 0.070 0.000 2.899 6 T HA 0.334 4.684 4.350 0.000 0.000 0.295 6 T C 0.476 175.226 174.700 0.083 0.000 1.033 6 T CA -0.597 61.571 62.100 0.114 0.000 1.084 6 T CB 1.743 70.687 68.868 0.127 0.000 0.979 6 T HN 0.260 nan 8.240 nan 0.000 0.532 7 Q N 1.477 121.313 119.800 0.060 0.000 2.274 7 Q HA 0.129 4.469 4.340 0.000 0.000 0.280 7 Q C -0.257 175.765 176.000 0.037 0.000 1.047 7 Q CA -0.249 55.572 55.803 0.031 0.000 0.907 7 Q CB 0.216 28.958 28.738 0.006 0.000 1.171 7 Q HN 0.805 nan 8.270 nan 0.000 0.381 8 S N 2.941 118.660 115.700 0.031 0.000 2.953 8 S HA 0.017 4.488 4.470 0.000 0.000 0.348 8 S C 1.054 175.669 174.600 0.025 0.000 1.215 8 S CA 0.848 59.065 58.200 0.028 0.000 1.019 8 S CB -0.009 63.204 63.200 0.022 0.000 0.726 8 S HN 1.048 nan 8.310 nan 0.000 0.503 9 G N 3.468 112.283 108.800 0.025 0.000 2.234 9 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 9 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 9 G C -0.033 174.880 174.900 0.021 0.000 0.997 9 G CA -0.260 44.852 45.100 0.019 0.000 0.623 9 G HN 0.682 nan 8.290 nan 0.000 0.514 10 R N 0.892 121.413 120.500 0.036 0.000 2.297 10 R HA 0.544 4.884 4.340 0.000 0.000 0.308 10 R C 1.022 177.356 176.300 0.055 0.000 1.029 10 R CA 0.481 56.604 56.100 0.038 0.000 0.929 10 R CB 0.892 31.231 30.300 0.065 0.000 1.046 10 R HN 0.351 nan 8.270 nan 0.000 0.461 11 T N -2.587 111.958 114.554 -0.015 0.000 3.170 11 T HA 0.255 4.605 4.350 0.000 0.000 0.288 11 T C 0.115 174.565 174.700 -0.418 0.000 0.992 11 T CA -0.355 61.694 62.100 -0.086 0.000 0.909 11 T CB 0.419 69.220 68.868 -0.111 0.000 1.133 11 T HN 0.312 nan 8.240 nan 0.000 0.530 12 S N 1.236 116.774 115.700 -0.269 0.000 2.588 12 S HA 0.810 5.280 4.470 0.000 0.000 0.275 12 S C -0.983 173.609 174.600 -0.013 0.000 1.130 12 S CA -1.067 56.917 58.200 -0.359 0.000 0.855 12 S CB 1.851 64.885 63.200 -0.276 0.000 1.116 12 S HN 0.624 nan 8.310 nan 0.000 0.472 13 I N -1.375 119.215 120.570 0.034 0.000 2.892 13 I HA 0.922 5.092 4.170 0.000 0.000 0.306 13 I C -1.371 174.843 176.117 0.162 0.000 1.078 13 I CA -1.165 60.246 61.300 0.186 0.000 1.032 13 I CB 1.856 39.968 38.000 0.187 0.000 1.229 13 I HN 0.352 nan 8.210 nan 0.000 0.435 14 V N 2.459 122.470 119.914 0.162 0.000 2.628 14 V HA 0.363 4.483 4.120 0.000 0.000 0.306 14 V C -0.447 175.681 176.094 0.058 0.000 1.045 14 V CA -0.519 61.825 62.300 0.073 0.000 0.905 14 V CB 1.492 33.246 31.823 -0.114 0.000 0.997 14 V HN 0.835 nan 8.190 nan 0.000 0.436 15 H N 4.581 123.614 119.070 -0.062 0.000 2.741 15 H HA 0.438 4.994 4.556 0.000 0.000 0.282 15 H C -0.663 174.591 175.328 -0.124 0.000 1.122 15 H CA -0.830 55.201 56.048 -0.029 0.000 1.293 15 H CB 0.729 30.501 29.762 0.016 0.000 1.415 15 H HN 0.574 nan 8.280 nan 0.000 0.472 16 L N 7.718 128.836 121.223 -0.176 0.000 2.399 16 L HA 0.076 4.417 4.340 0.000 0.000 0.257 16 L C 0.101 176.845 176.870 -0.209 0.000 1.236 16 L CA -0.217 54.231 54.840 -0.653 0.000 1.144 16 L CB -0.545 40.874 42.059 -1.068 0.000 1.379 16 L HN 0.617 nan 8.230 nan 0.000 0.414 17 F N 4.456 124.183 119.950 -0.372 0.000 2.571 17 F HA -0.093 4.434 4.527 0.000 0.000 0.390 17 F C 1.174 177.210 175.800 0.394 0.000 1.043 17 F CA 0.173 58.073 58.000 -0.168 0.000 1.164 17 F CB 0.234 39.081 39.000 -0.255 0.000 1.049 17 F HN 0.559 nan 8.300 nan 0.000 0.552 18 E N 2.482 122.747 120.200 0.108 0.000 3.370 18 E HA -0.292 4.058 4.350 0.000 0.000 0.291 18 E C -0.706 176.041 176.600 0.244 0.000 0.916 18 E CA 0.869 57.312 56.400 0.071 0.000 0.981 18 E CB -1.524 28.087 29.700 -0.149 0.000 1.498 18 E HN 0.590 nan 8.360 nan 0.000 0.452 19 W N 1.637 122.902 121.300 -0.058 0.000 2.170 19 W HA 0.205 4.865 4.660 0.000 0.000 0.336 19 W C 1.524 177.912 176.519 -0.219 0.000 1.283 19 W CA -0.076 57.121 57.345 -0.248 0.000 1.224 19 W CB 0.269 29.582 29.460 -0.245 0.000 1.132 19 W HN -0.096 nan 8.180 nan 0.000 0.571 20 R N 1.758 122.199 120.500 -0.099 0.000 2.615 20 R HA 0.081 4.421 4.340 0.000 0.000 0.270 20 R C 1.077 177.418 176.300 0.068 0.000 1.081 20 R CA -0.260 55.712 56.100 -0.213 0.000 1.154 20 R CB 0.545 30.726 30.300 -0.199 0.000 1.063 20 R HN 0.700 nan 8.270 nan 0.000 0.519 21 W N 0.746 122.045 121.300 -0.001 0.000 2.358 21 W HA -0.191 4.470 4.660 0.000 0.000 0.303 21 W C 2.009 178.502 176.519 -0.044 0.000 1.208 21 W CA 0.369 57.684 57.345 -0.050 0.000 1.274 21 W CB -0.404 29.018 29.460 -0.063 0.000 1.138 21 W HN 0.444 nan 8.180 nan 0.000 0.515 22 V N -1.526 118.497 119.914 0.181 0.000 2.469 22 V HA -0.274 3.847 4.120 0.000 0.000 0.251 22 V C 1.621 177.746 176.094 0.051 0.000 1.064 22 V CA 2.208 64.560 62.300 0.086 0.000 1.066 22 V CB -0.928 30.919 31.823 0.039 0.000 0.667 22 V HN 0.077 nan 8.190 nan 0.000 0.461 23 D N 0.604 121.022 120.400 0.031 0.000 2.123 23 D HA 0.021 4.661 4.640 0.000 0.000 0.200 23 D C 2.200 178.603 176.300 0.171 0.000 0.976 23 D CA 1.643 55.644 54.000 0.001 0.000 0.831 23 D CB -0.066 40.607 40.800 -0.211 0.000 0.974 23 D HN 0.497 nan 8.370 nan 0.000 0.469 24 I N 1.228 121.942 120.570 0.241 0.000 2.286 24 I HA -0.225 3.945 4.170 0.000 0.000 0.248 24 I C 2.478 178.633 176.117 0.063 0.000 1.115 24 I CA 0.772 62.182 61.300 0.185 0.000 1.392 24 I CB -0.199 37.883 38.000 0.137 0.000 1.065 24 I HN -0.091 nan 8.210 nan 0.000 0.418 25 A N 1.121 123.968 122.820 0.045 0.000 1.898 25 A HA -0.136 4.184 4.320 0.000 0.000 0.216 25 A C 2.306 179.900 177.584 0.018 0.000 1.181 25 A CA 1.262 53.299 52.037 -0.001 0.000 0.620 25 A CB -0.758 18.241 19.000 -0.001 0.000 0.819 25 A HN 0.345 nan 8.150 nan 0.000 0.442 26 L N -0.962 120.284 121.223 0.039 0.000 2.017 26 L HA -0.208 4.133 4.340 0.000 0.000 0.208 26 L C 2.674 179.582 176.870 0.063 0.000 1.073 26 L CA 1.817 56.681 54.840 0.039 0.000 0.745 26 L CB -0.469 41.606 42.059 0.027 0.000 0.894 26 L HN 0.442 nan 8.230 nan 0.000 0.432 27 E N -0.428 119.833 120.200 0.102 0.000 2.160 27 E HA -0.222 4.129 4.350 0.000 0.000 0.195 27 E C 2.232 178.884 176.600 0.087 0.000 0.991 27 E CA 1.416 57.897 56.400 0.135 0.000 0.810 27 E CB -0.274 29.550 29.700 0.207 0.000 0.742 27 E HN 0.428 nan 8.360 nan 0.000 0.466 28 c N 0.342 118.959 118.600 0.029 0.000 2.429 28 c HA -0.078 4.492 4.570 0.000 0.000 0.277 28 c C 2.336 176.433 174.090 0.013 0.000 1.262 28 c CA 1.118 57.445 56.329 -0.004 0.000 1.733 28 c CB -0.799 41.683 42.510 -0.047 0.000 2.010 28 c HN 0.536 nan 8.230 nan 0.000 0.483 29 E N 0.415 120.628 120.200 0.020 0.000 2.051 29 E HA -0.151 4.200 4.350 0.000 0.000 0.189 29 E C 2.346 178.968 176.600 0.037 0.000 0.979 29 E CA 0.949 57.361 56.400 0.020 0.000 0.803 29 E CB -0.202 29.507 29.700 0.015 0.000 0.761 29 E HN 0.693 nan 8.360 nan 0.000 0.451 30 R N -0.917 119.623 120.500 0.066 0.000 2.200 30 R HA -0.019 4.321 4.340 0.000 0.000 0.208 30 R C 1.341 177.729 176.300 0.148 0.000 1.033 30 R CA 1.052 57.204 56.100 0.088 0.000 1.000 30 R CB -0.035 30.320 30.300 0.090 0.000 0.906 30 R HN 0.228 nan 8.270 nan 0.000 0.462 31 Y N 0.373 120.676 120.300 0.004 0.000 3.266 31 Y HA 0.249 4.800 4.550 0.001 0.000 0.189 31 Y C 1.856 177.754 175.900 -0.003 0.000 0.895 31 Y CA -0.176 57.926 58.100 0.002 0.000 1.706 31 Y CB 0.097 38.556 38.460 -0.002 0.000 1.449 31 Y HN -0.193 nan 8.280 nan 0.000 0.391 32 L N 0.672 121.948 121.223 0.090 0.000 2.064 32 L HA -0.260 4.081 4.340 0.000 0.000 0.216 32 L C 2.361 179.256 176.870 0.042 0.000 1.077 32 L CA 1.714 56.532 54.840 -0.036 0.000 0.766 32 L CB -1.315 40.701 42.059 -0.072 0.000 0.890 32 L HN 0.558 nan 8.230 nan 0.000 0.435 33 G N 0.484 109.289 108.800 0.009 0.000 2.575 33 G HA2 -0.173 3.788 3.960 0.000 0.000 0.215 33 G HA3 -0.173 3.788 3.960 0.000 0.000 0.215 33 G C -0.643 174.245 174.900 -0.020 0.000 1.262 33 G CA 0.804 45.906 45.100 0.003 0.000 0.807 33 G HN 0.305 nan 8.290 nan 0.000 0.567 34 P HA -0.028 nan 4.420 nan 0.000 0.218 34 P C 1.603 178.818 177.300 -0.141 0.000 1.148 34 P CA 1.068 64.113 63.100 -0.091 0.000 0.822 34 P CB 0.114 31.758 31.700 -0.093 0.000 0.784 35 K N -1.328 118.965 120.400 -0.178 0.000 2.525 35 K HA 0.136 4.456 4.320 0.000 0.000 0.192 35 K C 1.329 177.911 176.600 -0.031 0.000 1.029 35 K CA 0.863 57.040 56.287 -0.183 0.000 1.029 35 K CB -0.995 31.262 32.500 -0.405 0.000 0.814 35 K HN 0.223 nan 8.250 nan 0.000 0.503 36 G N 1.447 110.253 108.800 0.010 0.000 2.143 36 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 36 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 36 G C -0.070 174.852 174.900 0.037 0.000 0.991 36 G CA -0.244 44.863 45.100 0.011 0.000 0.689 36 G HN 0.187 nan 8.290 nan 0.000 0.522 37 F N 0.332 120.274 119.950 -0.015 0.000 2.459 37 F HA 0.500 5.027 4.527 0.000 0.000 0.346 37 F C 1.832 177.655 175.800 0.039 0.000 1.128 37 F CA 0.945 58.961 58.000 0.027 0.000 1.268 37 F CB 1.195 40.224 39.000 0.048 0.000 1.161 37 F HN -0.010 nan 8.300 nan 0.000 0.583 38 G N 0.966 109.899 108.800 0.221 0.000 2.426 38 G HA2 0.407 4.367 3.960 0.000 0.000 0.214 38 G HA3 0.407 4.367 3.960 0.000 0.000 0.214 38 G C 0.476 175.528 174.900 0.253 0.000 1.156 38 G CA 0.681 45.905 45.100 0.207 0.000 0.802 38 G HN 1.013 nan 8.290 nan 0.000 0.534 39 G N -2.018 106.966 108.800 0.307 0.000 2.554 39 G HA2 0.470 4.431 3.960 0.000 0.000 0.306 39 G HA3 0.470 4.431 3.960 0.000 0.000 0.306 39 G C -2.238 172.814 174.900 0.254 0.000 1.320 39 G CA -0.207 45.080 45.100 0.312 0.000 0.800 39 G HN 0.505 nan 8.290 nan 0.000 0.481 40 V N 0.455 120.503 119.914 0.223 0.000 2.623 40 V HA 0.520 4.641 4.120 0.000 0.000 0.304 40 V C -0.371 175.858 176.094 0.224 0.000 1.054 40 V CA -0.644 61.730 62.300 0.124 0.000 0.882 40 V CB 1.653 33.447 31.823 -0.049 0.000 1.002 40 V HN 0.872 nan 8.190 nan 0.000 0.424 41 Q N 3.706 123.652 119.800 0.244 0.000 2.296 41 Q HA 0.651 4.992 4.340 0.000 0.000 0.257 41 Q C -0.632 175.532 176.000 0.273 0.000 0.942 41 Q CA -0.427 55.544 55.803 0.280 0.000 0.939 41 Q CB 1.861 30.731 28.738 0.221 0.000 1.198 41 Q HN 0.801 nan 8.270 nan 0.000 0.429 42 V N 1.055 121.114 119.914 0.242 0.000 3.096 42 V HA 0.609 4.729 4.120 0.000 0.000 0.319 42 V C 0.108 176.459 176.094 0.428 0.000 1.082 42 V CA -0.845 61.651 62.300 0.326 0.000 1.022 42 V CB 1.607 33.545 31.823 0.191 0.000 1.103 42 V HN 0.785 nan 8.190 nan 0.000 0.455 43 S N 1.992 118.011 115.700 0.531 0.000 2.608 43 S HA 0.375 4.846 4.470 0.000 0.000 0.261 43 S C -2.420 172.435 174.600 0.425 0.000 1.314 43 S CA -0.442 58.037 58.200 0.465 0.000 0.992 43 S CB 0.211 63.638 63.200 0.379 0.000 0.935 43 S HN 0.833 nan 8.310 nan 0.000 0.564 44 P HA 0.064 nan 4.420 nan 0.000 0.260 44 P C -1.831 175.684 177.300 0.358 0.000 1.185 44 P CA -0.739 62.493 63.100 0.219 0.000 0.763 44 P CB 0.124 31.809 31.700 -0.025 0.000 0.776 45 P HA -0.060 nan 4.420 nan 0.000 0.240 45 P C -0.123 177.399 177.300 0.370 0.000 1.190 45 P CA 0.682 64.154 63.100 0.619 0.000 0.781 45 P CB 0.246 32.274 31.700 0.546 0.000 0.931 46 N N 0.826 119.682 118.700 0.260 0.000 2.493 46 N HA 0.030 4.770 4.740 0.000 0.000 0.275 46 N C -0.122 175.425 175.510 0.062 0.000 1.186 46 N CA -0.402 52.726 53.050 0.129 0.000 0.978 46 N CB 1.119 39.606 38.487 -0.001 0.000 1.184 46 N HN -0.011 nan 8.380 nan 0.000 0.487 47 E N 0.119 120.325 120.200 0.010 0.000 2.452 47 E HA -0.062 4.288 4.350 0.000 0.000 0.261 47 E C -0.377 176.207 176.600 -0.027 0.000 0.987 47 E CA -0.128 56.270 56.400 -0.003 0.000 0.926 47 E CB 0.317 30.009 29.700 -0.014 0.000 0.934 47 E HN 0.734 nan 8.360 nan 0.000 0.452 48 N N 4.323 123.021 118.700 -0.005 0.000 2.577 48 N HA 0.293 5.033 4.740 0.000 0.000 0.285 48 N C -0.534 174.983 175.510 0.011 0.000 1.309 48 N CA -0.778 52.274 53.050 0.004 0.000 0.798 48 N CB 1.021 39.513 38.487 0.009 0.000 1.463 48 N HN 0.450 nan 8.380 nan 0.000 0.518 49 I N 0.621 121.207 120.570 0.027 0.000 2.720 49 I HA 0.126 4.297 4.170 0.000 0.000 0.287 49 I C -0.389 175.721 176.117 -0.011 0.000 1.090 49 I CA -0.701 60.608 61.300 0.015 0.000 1.384 49 I CB 1.084 39.106 38.000 0.037 0.000 1.420 49 I HN 0.241 nan 8.210 nan 0.000 0.575 50 V N 7.656 127.554 119.914 -0.028 0.000 2.385 50 V HA 0.169 4.289 4.120 0.000 0.000 0.269 50 V C -0.118 175.936 176.094 -0.066 0.000 1.043 50 V CA -0.450 61.820 62.300 -0.051 0.000 0.906 50 V CB 1.134 32.929 31.823 -0.046 0.000 0.995 50 V HN 0.388 nan 8.190 nan 0.000 0.467 51 V N 5.359 125.209 119.914 -0.108 0.000 2.333 51 V HA 0.232 4.353 4.120 0.000 0.000 0.274 51 V C 1.165 177.158 176.094 -0.168 0.000 1.028 51 V CA 0.126 62.342 62.300 -0.140 0.000 0.851 51 V CB 1.316 32.998 31.823 -0.235 0.000 1.000 51 V HN 1.027 nan 8.190 nan 0.000 0.456 52 T N 0.023 114.501 114.554 -0.127 0.000 3.069 52 T HA 0.157 4.508 4.350 0.000 0.000 0.252 52 T C 0.577 175.185 174.700 -0.153 0.000 1.053 52 T CA -0.088 61.938 62.100 -0.123 0.000 0.964 52 T CB -0.157 68.662 68.868 -0.082 0.000 1.005 52 T HN 0.438 nan 8.240 nan 0.000 0.532 53 N N 2.817 121.415 118.700 -0.170 0.000 2.648 53 N HA 0.362 5.103 4.740 0.000 0.000 0.261 53 N C -2.828 172.554 175.510 -0.214 0.000 1.138 53 N CA -1.575 51.359 53.050 -0.193 0.000 0.804 53 N CB 1.531 39.947 38.487 -0.117 0.000 1.237 53 N HN 0.129 nan 8.380 nan 0.000 0.532 54 P HA 0.113 nan 4.420 nan 0.000 0.274 54 P C -0.234 176.771 177.300 -0.491 0.000 1.260 54 P CA -0.391 62.278 63.100 -0.719 0.000 0.793 54 P CB 0.644 31.392 31.700 -1.586 0.000 1.048 55 S N 1.607 117.085 115.700 -0.371 0.000 2.465 55 S HA 0.030 4.500 4.470 0.000 0.000 0.307 55 S C 0.165 174.766 174.600 0.001 0.000 1.187 55 S CA -0.366 57.777 58.200 -0.096 0.000 1.141 55 S CB -1.103 62.114 63.200 0.029 0.000 1.108 55 S HN 0.368 nan 8.310 nan 0.000 0.525 56 R N 1.817 122.250 120.500 -0.112 0.000 3.022 56 R HA -0.115 4.225 4.340 0.000 0.000 0.248 56 R C -2.588 173.638 176.300 -0.123 0.000 0.874 56 R CA 0.291 56.315 56.100 -0.127 0.000 0.626 56 R CB -2.609 27.646 30.300 -0.075 0.000 1.255 56 R HN 0.517 nan 8.270 nan 0.000 0.496 57 P HA 0.030 nan 4.420 nan 0.000 0.274 57 P C 1.365 178.443 177.300 -0.371 0.000 1.256 57 P CA -0.553 62.306 63.100 -0.401 0.000 0.795 57 P CB 0.244 31.192 31.700 -1.254 0.000 1.038 58 W N 1.729 122.969 121.300 -0.100 0.000 2.425 58 W HA -0.063 4.597 4.660 0.000 0.000 0.277 58 W C 1.592 178.277 176.519 0.276 0.000 1.231 58 W CA 0.505 57.909 57.345 0.099 0.000 1.248 58 W CB -1.656 27.991 29.460 0.313 0.000 1.117 58 W HN 0.451 nan 8.180 nan 0.000 0.568 59 W N 3.499 124.374 121.300 -0.709 0.000 3.077 59 W HA 0.036 4.696 4.660 -0.000 0.000 0.245 59 W C 1.441 177.924 176.519 -0.060 0.000 1.316 59 W CA 0.886 57.917 57.345 -0.522 0.000 1.537 59 W CB -1.342 27.530 29.460 -0.980 0.000 1.131 59 W HN 0.205 nan 8.180 nan 0.000 0.695 60 E N 1.696 121.869 120.200 -0.044 0.000 2.347 60 E HA -0.125 4.225 4.350 0.000 0.000 0.196 60 E C 1.794 178.446 176.600 0.087 0.000 1.008 60 E CA 0.589 57.006 56.400 0.029 0.000 0.852 60 E CB -0.508 29.108 29.700 -0.139 0.000 0.783 60 E HN 0.247 nan 8.360 nan 0.000 0.505 61 R N -0.284 120.262 120.500 0.076 0.000 2.316 61 R HA -0.014 4.326 4.340 0.000 0.000 0.202 61 R C 0.349 176.529 176.300 -0.199 0.000 1.029 61 R CA 0.663 56.733 56.100 -0.049 0.000 1.018 61 R CB -0.038 30.219 30.300 -0.072 0.000 0.888 61 R HN 0.320 nan 8.270 nan 0.000 0.471 62 Y N 0.237 120.690 120.300 0.254 0.000 2.658 62 Y HA 0.219 4.769 4.550 0.001 0.000 0.276 62 Y C 0.114 176.204 175.900 0.316 0.000 1.167 62 Y CA -0.113 58.171 58.100 0.306 0.000 1.230 62 Y CB 0.652 39.322 38.460 0.349 0.000 1.144 62 Y HN -0.101 nan 8.280 nan 0.000 0.529 63 Q N 1.022 120.979 119.800 0.261 0.000 3.064 63 Q HA 0.268 4.608 4.340 0.000 0.000 0.258 63 Q C -2.739 173.326 176.000 0.110 0.000 0.972 63 Q CA -2.031 53.903 55.803 0.217 0.000 0.761 63 Q CB 1.445 30.296 28.738 0.189 0.000 1.281 63 Q HN 0.090 nan 8.270 nan 0.000 0.455 64 P HA -0.080 nan 4.420 nan 0.000 0.268 64 P C 0.378 177.621 177.300 -0.095 0.000 1.208 64 P CA 0.153 63.205 63.100 -0.081 0.000 0.777 64 P CB 0.873 32.462 31.700 -0.186 0.000 0.875 65 V N -1.661 118.190 119.914 -0.105 0.000 3.392 65 V HA 0.382 4.502 4.120 0.000 0.000 0.285 65 V C 0.141 176.203 176.094 -0.053 0.000 1.582 65 V CA 0.684 63.015 62.300 0.052 0.000 1.034 65 V CB -0.056 31.850 31.823 0.139 0.000 0.846 65 V HN 0.699 nan 8.190 nan 0.000 0.431 66 S N -0.963 114.565 115.700 -0.286 0.000 2.669 66 S HA 0.609 5.079 4.470 0.000 0.000 0.266 66 S C -1.161 173.073 174.600 -0.610 0.000 1.149 66 S CA -0.163 57.800 58.200 -0.394 0.000 0.842 66 S CB 0.885 63.998 63.200 -0.145 0.000 1.160 66 S HN 0.135 nan 8.310 nan 0.000 0.487 67 Y N 0.983 121.150 120.300 -0.222 0.000 2.696 67 Y HA 0.475 5.026 4.550 0.000 0.000 0.260 67 Y C 0.470 176.288 175.900 -0.138 0.000 1.165 67 Y CA -0.704 57.175 58.100 -0.369 0.000 1.189 67 Y CB 0.245 38.404 38.460 -0.502 0.000 1.180 67 Y HN 0.396 nan 8.280 nan 0.000 0.538 68 K N 0.810 121.225 120.400 0.025 0.000 2.298 68 K HA 0.248 4.568 4.320 0.000 0.000 0.280 68 K C -0.616 176.035 176.600 0.084 0.000 1.032 68 K CA -0.682 55.640 56.287 0.059 0.000 0.958 68 K CB 0.933 33.456 32.500 0.038 0.000 0.978 68 K HN -0.061 nan 8.250 nan 0.000 0.472 69 L N 3.467 124.743 121.223 0.089 0.000 2.384 69 L HA 0.086 4.427 4.340 0.000 0.000 0.258 69 L C -0.482 176.499 176.870 0.184 0.000 1.266 69 L CA 0.252 55.161 54.840 0.114 0.000 1.162 69 L CB -0.319 41.727 42.059 -0.022 0.000 1.375 69 L HN 0.593 nan 8.230 nan 0.000 0.420 70 c N 2.106 120.808 118.600 0.170 0.000 2.892 70 c HA 0.727 5.297 4.570 0.000 0.000 0.360 70 c C 0.255 174.404 174.090 0.098 0.000 1.054 70 c CA 0.015 56.423 56.329 0.133 0.000 1.326 70 c CB 0.131 42.691 42.510 0.083 0.000 1.806 70 c HN 0.897 nan 8.230 nan 0.000 0.490 71 T N 1.711 116.313 114.554 0.079 0.000 2.681 71 T HA 0.488 4.838 4.350 0.000 0.000 0.296 71 T C 0.924 175.572 174.700 -0.086 0.000 1.157 71 T CA -0.686 61.418 62.100 0.007 0.000 1.025 71 T CB 1.018 69.907 68.868 0.035 0.000 1.441 71 T HN 0.491 nan 8.240 nan 0.000 0.504 72 R N 0.159 120.588 120.500 -0.118 0.000 2.193 72 R HA 0.045 4.385 4.340 0.000 0.000 0.229 72 R C 2.215 178.357 176.300 -0.263 0.000 1.110 72 R CA 1.256 57.265 56.100 -0.151 0.000 0.988 72 R CB -0.381 29.845 30.300 -0.122 0.000 0.871 72 R HN 0.541 nan 8.270 nan 0.000 0.458 73 S N -0.546 114.879 115.700 -0.457 0.000 2.489 73 S HA 0.145 4.615 4.470 0.000 0.000 0.228 73 S C 0.722 174.716 174.600 -1.010 0.000 0.995 73 S CA 0.651 58.320 58.200 -0.885 0.000 0.934 73 S CB 0.697 62.889 63.200 -1.680 0.000 0.771 73 S HN 0.644 nan 8.310 nan 0.000 0.522 74 G N 0.507 108.965 108.800 -0.569 0.000 2.357 74 G HA2 0.092 4.052 3.960 0.000 0.000 0.289 74 G HA3 0.092 4.052 3.960 0.000 0.000 0.289 74 G C -1.539 173.445 174.900 0.140 0.000 1.302 74 G CA -1.050 43.931 45.100 -0.198 0.000 0.936 74 G HN 0.292 nan 8.290 nan 0.000 0.513 75 N N -0.903 117.957 118.700 0.267 0.000 2.592 75 N HA 0.437 5.177 4.740 0.000 0.000 0.292 75 N C 1.089 176.811 175.510 0.353 0.000 1.260 75 N CA -0.269 52.941 53.050 0.267 0.000 0.910 75 N CB 2.082 40.663 38.487 0.156 0.000 1.257 75 N HN 0.736 nan 8.380 nan 0.000 0.569 76 E N 0.690 121.030 120.200 0.233 0.000 2.085 76 E HA -0.337 4.013 4.350 0.000 0.000 0.194 76 E C 1.323 178.046 176.600 0.205 0.000 0.994 76 E CA 1.429 57.943 56.400 0.190 0.000 0.801 76 E CB -0.041 29.719 29.700 0.101 0.000 0.743 76 E HN 0.528 nan 8.360 nan 0.000 0.453 77 N N -0.140 118.664 118.700 0.173 0.000 2.043 77 N HA -0.225 4.516 4.740 0.000 0.000 0.193 77 N C 1.633 177.248 175.510 0.174 0.000 1.037 77 N CA 1.548 54.685 53.050 0.146 0.000 0.851 77 N CB -0.007 38.550 38.487 0.115 0.000 1.027 77 N HN 0.251 nan 8.380 nan 0.000 0.422 78 E N -0.532 119.807 120.200 0.233 0.000 2.204 78 E HA -0.162 4.188 4.350 0.000 0.000 0.194 78 E C 1.569 178.319 176.600 0.249 0.000 0.989 78 E CA 0.615 57.172 56.400 0.261 0.000 0.824 78 E CB -0.139 29.758 29.700 0.327 0.000 0.756 78 E HN 0.401 nan 8.360 nan 0.000 0.477 79 F N 1.794 121.801 119.950 0.094 0.000 2.113 79 F HA -0.062 4.465 4.527 0.000 0.000 0.297 79 F C 2.150 177.828 175.800 -0.204 0.000 1.103 79 F CA 1.336 59.151 58.000 -0.309 0.000 1.248 79 F CB 0.098 38.912 39.000 -0.310 0.000 0.999 79 F HN -0.229 nan 8.300 nan 0.000 0.475 80 R N -0.139 120.499 120.500 0.230 0.000 2.096 80 R HA -0.185 4.155 4.340 0.000 0.000 0.235 80 R C 1.899 178.225 176.300 0.044 0.000 1.127 80 R CA 1.689 57.877 56.100 0.146 0.000 0.968 80 R CB -0.684 29.699 30.300 0.138 0.000 0.861 80 R HN 0.337 nan 8.270 nan 0.000 0.440 81 D N 0.498 120.922 120.400 0.039 0.000 2.117 81 D HA -0.176 4.464 4.640 0.000 0.000 0.198 81 D C 1.941 178.211 176.300 -0.051 0.000 0.982 81 D CA 1.087 55.098 54.000 0.018 0.000 0.828 81 D CB 0.063 40.891 40.800 0.047 0.000 0.967 81 D HN 0.068 nan 8.370 nan 0.000 0.464 82 M N -0.137 119.395 119.600 -0.113 0.000 2.086 82 M HA -0.151 4.329 4.480 0.000 0.000 0.261 82 M C 1.768 177.899 176.300 -0.282 0.000 1.067 82 M CA 1.312 56.495 55.300 -0.195 0.000 1.116 82 M CB -0.064 32.362 32.600 -0.289 0.000 1.348 82 M HN 0.002 nan 8.290 nan 0.000 0.407 83 V N 0.395 120.097 119.914 -0.353 0.000 2.407 83 V HA -0.241 3.879 4.120 0.000 0.000 0.248 83 V C 2.296 178.136 176.094 -0.423 0.000 1.055 83 V CA 2.221 64.293 62.300 -0.382 0.000 1.049 83 V CB -1.150 30.501 31.823 -0.286 0.000 0.662 83 V HN 0.580 nan 8.190 nan 0.000 0.455 84 T N -0.369 114.027 114.554 -0.262 0.000 2.732 84 T HA -0.146 4.204 4.350 0.000 0.000 0.261 84 T C 2.101 176.710 174.700 -0.152 0.000 1.040 84 T CA 1.423 63.416 62.100 -0.178 0.000 1.145 84 T CB -0.195 68.718 68.868 0.076 0.000 0.866 84 T HN 0.402 nan 8.240 nan 0.000 0.427 85 R N 0.111 120.549 120.500 -0.104 0.000 2.096 85 R HA -0.046 4.294 4.340 0.000 0.000 0.235 85 R C 2.753 178.981 176.300 -0.120 0.000 1.127 85 R CA 1.296 57.353 56.100 -0.073 0.000 0.968 85 R CB -0.716 29.557 30.300 -0.044 0.000 0.861 85 R HN 0.377 nan 8.270 nan 0.000 0.440 86 c N 0.528 119.014 118.600 -0.191 0.000 2.453 86 c HA -0.008 4.562 4.570 0.000 0.000 0.277 86 c C 2.325 176.260 174.090 -0.260 0.000 1.262 86 c CA 0.373 56.582 56.329 -0.200 0.000 1.718 86 c CB -0.941 41.431 42.510 -0.229 0.000 2.031 86 c HN 0.516 nan 8.230 nan 0.000 0.480 87 N N 1.633 120.061 118.700 -0.453 0.000 2.149 87 N HA -0.109 4.632 4.740 0.000 0.000 0.188 87 N C 1.301 176.619 175.510 -0.320 0.000 1.019 87 N CA 1.155 53.818 53.050 -0.646 0.000 0.857 87 N CB -0.600 36.910 38.487 -1.627 0.000 0.997 87 N HN 0.543 nan 8.380 nan 0.000 0.426 88 N N 0.455 119.073 118.700 -0.137 0.000 2.453 88 N HA -0.074 4.666 4.740 0.000 0.000 0.183 88 N C 1.355 176.865 175.510 0.000 0.000 1.041 88 N CA 0.555 53.632 53.050 0.045 0.000 0.900 88 N CB 0.145 38.688 38.487 0.094 0.000 0.961 88 N HN 0.248 nan 8.380 nan 0.000 0.443 89 V N -4.229 115.658 119.914 -0.045 0.000 3.376 89 V HA 0.532 4.652 4.120 0.000 0.000 0.313 89 V C 1.211 177.283 176.094 -0.036 0.000 1.393 89 V CA 0.145 62.427 62.300 -0.031 0.000 1.125 89 V CB -0.071 31.736 31.823 -0.028 0.000 1.037 89 V HN 0.171 nan 8.190 nan 0.000 0.440 90 G N 0.332 109.096 108.800 -0.060 0.000 2.143 90 G HA2 -0.203 3.757 3.960 0.000 0.000 0.249 90 G HA3 -0.203 3.757 3.960 0.000 0.000 0.249 90 G C 0.010 174.882 174.900 -0.047 0.000 0.981 90 G CA 0.102 45.169 45.100 -0.054 0.000 0.665 90 G HN 0.857 nan 8.290 nan 0.000 0.528 91 V N 2.295 122.164 119.914 -0.075 0.000 2.347 91 V HA 0.581 4.701 4.120 0.000 0.000 0.280 91 V C 0.684 176.705 176.094 -0.121 0.000 1.021 91 V CA -1.271 61.002 62.300 -0.045 0.000 0.847 91 V CB 1.383 33.186 31.823 -0.033 0.000 0.990 91 V HN 0.309 nan 8.190 nan 0.000 0.444 92 R N 4.029 124.482 120.500 -0.079 0.000 2.637 92 R HA 0.534 4.874 4.340 0.000 0.000 0.269 92 R C -0.556 175.552 176.300 -0.321 0.000 1.089 92 R CA -0.641 55.330 56.100 -0.215 0.000 1.177 92 R CB 0.890 31.072 30.300 -0.196 0.000 1.091 92 R HN 0.445 nan 8.270 nan 0.000 0.540 93 I N 2.556 122.819 120.570 -0.511 0.000 2.436 93 I HA 0.280 4.450 4.170 0.000 0.000 0.289 93 I C -0.751 174.986 176.117 -0.633 0.000 1.010 93 I CA -0.826 60.209 61.300 -0.442 0.000 1.098 93 I CB 1.187 38.960 38.000 -0.378 0.000 1.266 93 I HN 0.426 nan 8.210 nan 0.000 0.434 94 Y N 4.800 125.075 120.300 -0.041 0.000 2.341 94 Y HA 0.484 5.034 4.550 0.001 0.000 0.338 94 Y C 0.255 176.133 175.900 -0.037 0.000 0.965 94 Y CA -0.913 57.163 58.100 -0.040 0.000 1.108 94 Y CB 2.010 40.583 38.460 0.188 0.000 1.180 94 Y HN 0.192 nan 8.280 nan 0.000 0.458 95 V N 3.029 122.938 119.914 -0.009 0.000 2.481 95 V HA 0.104 4.225 4.120 0.000 0.000 0.286 95 V C -0.171 176.060 176.094 0.229 0.000 1.042 95 V CA -0.759 61.634 62.300 0.154 0.000 0.928 95 V CB 1.523 33.480 31.823 0.224 0.000 0.986 95 V HN 0.674 nan 8.190 nan 0.000 0.462 96 D N 4.137 124.675 120.400 0.230 0.000 2.402 96 D HA 0.298 4.939 4.640 0.000 0.000 0.235 96 D C 0.140 176.577 176.300 0.228 0.000 1.226 96 D CA -0.075 54.044 54.000 0.197 0.000 0.918 96 D CB 1.098 42.040 40.800 0.236 0.000 1.043 96 D HN 0.671 nan 8.370 nan 0.000 0.506 97 A N 4.216 127.146 122.820 0.183 0.000 2.343 97 A HA 0.330 4.650 4.320 0.000 0.000 0.305 97 A C 0.073 177.733 177.584 0.126 0.000 1.308 97 A CA -0.600 51.528 52.037 0.152 0.000 0.949 97 A CB 0.397 19.379 19.000 -0.029 0.000 1.148 97 A HN 0.371 nan 8.150 nan 0.000 0.545 98 V N 5.584 125.586 119.914 0.147 0.000 2.299 98 V HA 0.135 4.255 4.120 0.000 0.000 0.255 98 V C 0.902 176.984 176.094 -0.021 0.000 1.100 98 V CA 0.369 62.710 62.300 0.069 0.000 0.938 98 V CB -0.457 31.410 31.823 0.073 0.000 1.139 98 V HN 0.867 nan 8.190 nan 0.000 0.490 99 I N 0.635 121.179 120.570 -0.044 0.000 4.154 99 I HA 0.356 4.526 4.170 0.000 0.000 0.334 99 I C 1.443 177.520 176.117 -0.067 0.000 1.371 99 I CA 0.210 61.490 61.300 -0.033 0.000 1.110 99 I CB 0.125 38.115 38.000 -0.016 0.000 1.085 99 I HN 0.465 nan 8.210 nan 0.000 0.398 100 N N 1.477 120.099 118.700 -0.129 0.000 2.415 100 N HA -0.027 4.714 4.740 0.000 0.000 0.176 100 N C 0.313 175.847 175.510 0.039 0.000 1.042 100 N CA 0.897 53.946 53.050 -0.002 0.000 0.902 100 N CB 0.095 38.676 38.487 0.156 0.000 0.986 100 N HN 0.773 nan 8.380 nan 0.000 0.447 101 H N -4.127 114.977 119.070 0.056 0.000 2.918 101 H HA 0.493 5.049 4.556 0.001 0.000 0.303 101 H C -0.656 174.678 175.328 0.010 0.000 1.380 101 H CA -1.062 55.015 56.048 0.047 0.000 1.134 101 H CB 0.524 30.317 29.762 0.052 0.000 1.842 101 H HN -0.266 nan 8.280 nan 0.000 0.533 102 M N 0.289 119.989 119.600 0.167 0.000 2.407 102 M HA 0.407 4.888 4.480 0.000 0.000 0.235 102 M C 0.719 177.097 176.300 0.130 0.000 0.846 102 M CA -0.783 54.489 55.300 -0.046 0.000 1.540 102 M CB 0.655 32.971 32.600 -0.473 0.000 1.274 102 M HN 0.952 nan 8.290 nan 0.000 0.802 103 C N 0.076 119.442 119.300 0.110 0.000 2.711 103 C HA 0.705 5.166 4.460 0.000 0.000 0.306 103 C C 1.018 176.077 174.990 0.115 0.000 1.479 103 C CA -0.877 58.239 59.018 0.163 0.000 2.271 103 C CB -0.933 26.919 27.740 0.188 0.000 2.155 103 C HN 0.838 nan 8.230 nan 0.000 0.674 104 G N 0.767 109.609 108.800 0.071 0.000 2.398 104 G HA2 0.379 4.339 3.960 0.000 0.000 0.246 104 G HA3 0.379 4.339 3.960 0.000 0.000 0.246 104 G C 0.921 175.817 174.900 -0.007 0.000 1.289 104 G CA 0.373 45.479 45.100 0.010 0.000 0.869 104 G HN 1.456 nan 8.290 nan 0.000 0.543 105 S N 1.378 117.052 115.700 -0.044 0.000 2.442 105 S HA -0.048 4.423 4.470 0.000 0.000 0.236 105 S C 1.872 176.431 174.600 -0.068 0.000 1.007 105 S CA 0.923 59.080 58.200 -0.072 0.000 0.965 105 S CB 0.127 63.276 63.200 -0.085 0.000 0.773 105 S HN 0.873 nan 8.310 nan 0.000 0.504 106 G N 0.605 109.373 108.800 -0.052 0.000 3.518 106 G HA2 0.603 4.563 3.960 0.000 0.000 0.273 106 G HA3 0.603 4.563 3.960 0.000 0.000 0.273 106 G C 0.158 175.032 174.900 -0.043 0.000 1.199 106 G CA 0.027 45.098 45.100 -0.049 0.000 0.899 106 G HN 0.731 nan 8.290 nan 0.000 0.533 107 A N 0.095 122.887 122.820 -0.046 0.000 2.302 107 A HA 0.826 5.146 4.320 0.000 0.000 0.285 107 A C 0.688 178.227 177.584 -0.075 0.000 1.105 107 A CA 0.081 52.091 52.037 -0.045 0.000 0.816 107 A CB 0.767 19.750 19.000 -0.028 0.000 1.067 107 A HN 0.845 nan 8.150 nan 0.000 0.489 108 A N 0.578 123.354 122.820 -0.072 0.000 2.351 108 A HA 0.595 4.916 4.320 0.000 0.000 0.257 108 A C 0.737 178.243 177.584 -0.130 0.000 1.087 108 A CA 0.213 52.200 52.037 -0.083 0.000 0.798 108 A CB -0.102 18.863 19.000 -0.060 0.000 1.033 108 A HN 2.088 nan 8.150 nan 0.000 0.488 109 A N 0.724 123.462 122.820 -0.136 0.000 2.371 109 A HA 0.708 5.028 4.320 0.000 0.000 0.257 109 A C 0.897 178.378 177.584 -0.170 0.000 1.089 109 A CA 0.651 52.557 52.037 -0.218 0.000 0.794 109 A CB -0.040 18.881 19.000 -0.131 0.000 1.029 109 A HN 2.711 nan 8.150 nan 0.000 0.488 110 G N -0.338 108.261 108.800 -0.334 0.000 2.302 110 G HA2 0.365 4.325 3.960 0.000 0.000 0.264 110 G HA3 0.365 4.325 3.960 0.000 0.000 0.264 110 G C 0.040 174.879 174.900 -0.102 0.000 1.335 110 G CA 0.428 45.482 45.100 -0.077 0.000 0.982 110 G HN 1.716 nan 8.290 nan 0.000 0.473 111 T N -1.869 112.699 114.554 0.023 0.000 3.308 111 T HA 0.530 4.880 4.350 0.000 0.000 0.270 111 T C 1.017 175.713 174.700 -0.006 0.000 0.992 111 T CA 0.988 63.103 62.100 0.026 0.000 0.931 111 T CB 0.538 69.451 68.868 0.075 0.000 1.142 111 T HN 1.709 nan 8.240 nan 0.000 0.525 112 G N 2.383 111.163 108.800 -0.034 0.000 3.101 112 G HA2 0.462 4.422 3.960 0.000 0.000 0.272 112 G HA3 0.462 4.422 3.960 0.000 0.000 0.272 112 G C 0.114 174.996 174.900 -0.030 0.000 0.801 112 G CA -0.341 44.740 45.100 -0.031 0.000 1.978 112 G HN 0.689 nan 8.290 nan 0.000 0.591 113 T N -2.889 111.655 114.554 -0.018 0.000 2.896 113 T HA 0.450 4.801 4.350 0.000 0.000 0.297 113 T C 1.345 176.040 174.700 -0.007 0.000 1.108 113 T CA 0.071 62.164 62.100 -0.011 0.000 1.004 113 T CB 1.523 70.388 68.868 -0.003 0.000 1.159 113 T HN 0.178 nan 8.240 nan 0.000 0.499 114 T N -2.419 112.131 114.554 -0.006 0.000 3.025 114 T HA -0.054 4.296 4.350 0.000 0.000 0.270 114 T C 1.351 176.054 174.700 0.005 0.000 1.126 114 T CA 0.871 62.967 62.100 -0.006 0.000 1.105 114 T CB -0.587 68.276 68.868 -0.007 0.000 0.884 114 T HN 0.706 nan 8.240 nan 0.000 0.522 115 c N 0.106 118.714 118.600 0.012 0.000 3.785 115 c HA 0.670 5.240 4.570 0.000 0.000 0.312 115 c C 1.911 176.015 174.090 0.023 0.000 1.566 115 c CA 0.018 56.359 56.329 0.021 0.000 1.837 115 c CB -0.507 42.020 42.510 0.029 0.000 2.826 115 c HN 0.890 nan 8.230 nan 0.000 0.667 116 G N 1.548 110.361 108.800 0.021 0.000 2.157 116 G HA2 -0.193 3.768 3.960 0.000 0.000 0.239 116 G HA3 -0.193 3.768 3.960 0.000 0.000 0.239 116 G C 0.071 174.999 174.900 0.047 0.000 0.982 116 G CA 0.473 45.591 45.100 0.030 0.000 0.650 116 G HN 0.580 nan 8.290 nan 0.000 0.527 117 S N -0.235 115.491 115.700 0.043 0.000 2.565 117 S HA 0.512 4.982 4.470 0.000 0.000 0.276 117 S C -0.082 174.565 174.600 0.079 0.000 1.326 117 S CA -0.407 57.832 58.200 0.065 0.000 1.045 117 S CB 1.240 64.468 63.200 0.047 0.000 0.918 117 S HN 0.553 nan 8.310 nan 0.000 0.505 118 Y N 2.155 122.447 120.300 -0.012 0.000 2.301 118 Y HA 0.488 5.039 4.550 0.001 0.000 0.325 118 Y C 0.147 176.009 175.900 -0.062 0.000 1.203 118 Y CA -0.763 57.315 58.100 -0.036 0.000 1.255 118 Y CB 0.539 38.975 38.460 -0.039 0.000 1.232 118 Y HN 0.912 nan 8.280 nan 0.000 0.501 119 C N 4.763 123.489 119.300 -0.957 0.000 3.171 119 C HA 0.524 4.984 4.460 0.000 0.000 0.336 119 C C -1.618 172.757 174.990 -1.026 0.000 1.198 119 C CA -1.071 57.451 59.018 -0.826 0.000 1.319 119 C CB 1.462 28.884 27.740 -0.531 0.000 1.682 119 C HN 0.908 nan 8.230 nan 0.000 0.497 120 N N 2.207 120.425 118.700 -0.804 0.000 2.716 120 N HA 0.422 5.162 4.740 0.000 0.000 0.253 120 N C -2.100 173.107 175.510 -0.506 0.000 1.170 120 N CA -1.600 51.137 53.050 -0.521 0.000 0.807 120 N CB 1.764 40.099 38.487 -0.253 0.000 1.183 120 N HN 0.479 nan 8.380 nan 0.000 0.524 121 P HA -0.068 nan 4.420 nan 0.000 0.215 121 P C 1.309 178.466 177.300 -0.238 0.000 1.157 121 P CA 1.365 64.270 63.100 -0.324 0.000 0.874 121 P CB 0.179 31.779 31.700 -0.167 0.000 0.790 122 G N -0.572 108.120 108.800 -0.181 0.000 2.442 122 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 122 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 122 G C 1.407 176.237 174.900 -0.117 0.000 1.141 122 G CA 0.845 45.869 45.100 -0.127 0.000 0.763 122 G HN 0.265 nan 8.290 nan 0.000 0.554 123 N N -0.165 118.456 118.700 -0.131 0.000 2.280 123 N HA 0.074 4.814 4.740 0.000 0.000 0.192 123 N C 0.477 175.919 175.510 -0.114 0.000 1.109 123 N CA -0.041 52.956 53.050 -0.088 0.000 0.855 123 N CB 0.424 38.879 38.487 -0.054 0.000 0.974 123 N HN 0.060 nan 8.380 nan 0.000 0.482 124 R N 0.755 121.129 120.500 -0.210 0.000 3.651 124 R HA -0.150 4.190 4.340 0.000 0.000 0.292 124 R C -0.935 175.317 176.300 -0.081 0.000 1.161 124 R CA 0.464 56.434 56.100 -0.218 0.000 0.787 124 R CB -2.426 27.757 30.300 -0.194 0.000 1.249 124 R HN 0.377 nan 8.270 nan 0.000 0.476 125 E N 0.057 120.087 120.200 -0.284 0.000 2.115 125 E HA 0.288 4.638 4.350 0.000 0.000 0.282 125 E C -0.618 175.726 176.600 -0.427 0.000 0.987 125 E CA -0.304 55.985 56.400 -0.185 0.000 0.797 125 E CB 0.516 30.164 29.700 -0.087 0.000 1.086 125 E HN 0.065 nan 8.360 nan 0.000 0.397 126 F N 4.241 124.250 119.950 0.099 0.000 2.660 126 F HA 0.270 4.797 4.527 0.000 0.000 0.352 126 F C -1.895 173.934 175.800 0.049 0.000 1.257 126 F CA -1.915 56.131 58.000 0.077 0.000 1.200 126 F CB 1.390 40.486 39.000 0.160 0.000 1.473 126 F HN 0.376 nan 8.300 nan 0.000 0.561 127 P HA -0.199 nan 4.420 nan 0.000 0.221 127 P C 1.518 178.866 177.300 0.081 0.000 1.145 127 P CA 1.273 64.444 63.100 0.118 0.000 0.795 127 P CB 0.325 32.107 31.700 0.137 0.000 0.775 128 A N -0.924 121.944 122.820 0.080 0.000 2.014 128 A HA -0.084 4.236 4.320 0.000 0.000 0.218 128 A C 2.186 179.751 177.584 -0.032 0.000 1.163 128 A CA 1.281 53.334 52.037 0.027 0.000 0.652 128 A CB -1.424 17.590 19.000 0.023 0.000 0.808 128 A HN 0.028 nan 8.150 nan 0.000 0.449 129 V N 0.748 120.610 119.914 -0.086 0.000 2.239 129 V HA -0.025 4.095 4.120 0.000 0.000 0.242 129 V C -1.058 174.934 176.094 -0.171 0.000 1.038 129 V CA 1.609 63.765 62.300 -0.241 0.000 1.002 129 V CB -1.458 29.974 31.823 -0.651 0.000 0.641 129 V HN 0.538 nan 8.190 nan 0.000 0.449 130 P HA 0.413 nan 4.420 nan 0.000 0.290 130 P C -1.885 175.424 177.300 0.014 0.000 1.283 130 P CA -0.240 62.852 63.100 -0.014 0.000 0.869 130 P CB 1.719 33.464 31.700 0.074 0.000 1.100 131 Y N -0.786 119.618 120.300 0.174 0.000 2.570 131 Y HA 0.548 5.098 4.550 0.000 0.000 0.345 131 Y C 0.604 176.514 175.900 0.016 0.000 1.014 131 Y CA -0.566 57.594 58.100 0.100 0.000 1.063 131 Y CB 2.456 41.001 38.460 0.142 0.000 1.272 131 Y HN 0.330 nan 8.280 nan 0.000 0.477 132 S N -0.470 115.192 115.700 -0.064 0.000 2.697 132 S HA 0.605 5.075 4.470 0.000 0.000 0.289 132 S C 0.634 175.038 174.600 -0.327 0.000 1.149 132 S CA -0.211 57.742 58.200 -0.412 0.000 0.850 132 S CB 1.598 64.090 63.200 -1.181 0.000 1.151 132 S HN 0.782 nan 8.310 nan 0.000 0.491 133 A N 0.179 122.804 122.820 -0.325 0.000 2.084 133 A HA -0.129 4.191 4.320 0.000 0.000 0.221 133 A C 1.325 179.046 177.584 0.228 0.000 1.161 133 A CA 1.810 53.895 52.037 0.079 0.000 0.653 133 A CB -0.846 18.253 19.000 0.164 0.000 0.802 133 A HN 0.897 nan 8.150 nan 0.000 0.457 134 W N -1.579 119.799 121.300 0.130 0.000 3.353 134 W HA 0.391 5.051 4.660 0.001 0.000 0.304 134 W C -0.086 176.417 176.519 -0.026 0.000 1.273 134 W CA 0.047 57.423 57.345 0.052 0.000 1.773 134 W CB 0.006 29.469 29.460 0.005 0.000 1.095 134 W HN 0.101 nan 8.180 nan 0.000 0.676 135 D N 0.396 120.679 120.400 -0.195 0.000 2.368 135 D HA 0.119 4.759 4.640 0.000 0.000 0.218 135 D C -0.591 175.250 176.300 -0.764 0.000 1.112 135 D CA 0.218 53.935 54.000 -0.472 0.000 0.834 135 D CB -0.057 40.338 40.800 -0.675 0.000 0.953 135 D HN 0.094 nan 8.370 nan 0.000 0.505 136 F N 0.051 119.969 119.950 -0.053 0.000 2.598 136 F HA 0.320 4.848 4.527 0.000 0.000 0.327 136 F C 1.263 177.081 175.800 0.029 0.000 1.057 136 F CA -1.073 56.909 58.000 -0.029 0.000 0.957 136 F CB 0.902 39.890 39.000 -0.020 0.000 1.278 136 F HN -0.381 nan 8.300 nan 0.000 0.484 137 N N 1.008 119.845 118.700 0.229 0.000 2.362 137 N HA -0.025 4.715 4.740 0.000 0.000 0.204 137 N C 0.727 176.327 175.510 0.151 0.000 1.166 137 N CA 0.271 53.421 53.050 0.167 0.000 0.831 137 N CB -0.333 38.248 38.487 0.157 0.000 1.008 137 N HN 0.539 nan 8.380 nan 0.000 0.472 138 D N 0.456 120.953 120.400 0.160 0.000 2.133 138 D HA -0.165 4.476 4.640 0.000 0.000 0.192 138 D C 1.754 178.109 176.300 0.091 0.000 1.001 138 D CA 1.398 55.462 54.000 0.108 0.000 0.844 138 D CB -0.289 40.569 40.800 0.098 0.000 0.944 138 D HN 0.361 nan 8.370 nan 0.000 0.447 139 G N 0.066 108.926 108.800 0.100 0.000 2.813 139 G HA2 -0.164 3.796 3.960 0.000 0.000 0.209 139 G HA3 -0.164 3.796 3.960 0.000 0.000 0.209 139 G C 1.512 176.457 174.900 0.075 0.000 1.150 139 G CA 0.110 45.257 45.100 0.079 0.000 0.785 139 G HN 0.224 nan 8.290 nan 0.000 0.535 140 K N -0.535 119.922 120.400 0.095 0.000 2.262 140 K HA 0.083 4.404 4.320 0.000 0.000 0.200 140 K C 0.657 177.324 176.600 0.113 0.000 1.049 140 K CA -0.172 56.178 56.287 0.105 0.000 0.979 140 K CB -0.005 32.575 32.500 0.133 0.000 0.773 140 K HN 0.226 nan 8.250 nan 0.000 0.474 141 c N 2.083 120.745 118.600 0.102 0.000 2.576 141 c HA 0.259 4.830 4.570 0.000 0.000 0.401 141 c C 0.759 174.886 174.090 0.061 0.000 1.314 141 c CA -0.400 55.983 56.329 0.090 0.000 1.855 141 c CB 0.033 42.587 42.510 0.074 0.000 2.537 141 c HN 0.323 nan 8.230 nan 0.000 0.578 142 K N 2.623 123.055 120.400 0.055 0.000 2.358 142 K HA 0.128 4.448 4.320 0.000 0.000 0.197 142 K C 1.076 177.689 176.600 0.022 0.000 1.025 142 K CA 0.148 56.453 56.287 0.031 0.000 1.104 142 K CB 0.159 32.670 32.500 0.018 0.000 0.855 142 K HN 0.916 nan 8.250 nan 0.000 0.531 143 T N -2.850 111.718 114.554 0.023 0.000 2.868 143 T HA 0.391 4.741 4.350 0.000 0.000 0.292 143 T C 1.387 176.093 174.700 0.010 0.000 1.028 143 T CA -0.265 61.843 62.100 0.014 0.000 1.059 143 T CB 1.794 70.667 68.868 0.009 0.000 0.991 143 T HN 0.018 nan 8.240 nan 0.000 0.531 144 A N 1.495 124.319 122.820 0.006 0.000 2.014 144 A HA 0.034 4.354 4.320 0.000 0.000 0.218 144 A C 2.504 180.089 177.584 0.001 0.000 1.163 144 A CA 1.445 53.484 52.037 0.004 0.000 0.652 144 A CB -1.047 17.954 19.000 0.003 0.000 0.808 144 A HN 1.075 nan 8.150 nan 0.000 0.449 145 S N -2.641 113.059 115.700 -0.001 0.000 2.486 145 S HA 0.382 4.852 4.470 0.000 0.000 0.220 145 S C 1.555 176.151 174.600 -0.007 0.000 1.011 145 S CA 1.131 59.328 58.200 -0.006 0.000 0.921 145 S CB -0.014 63.182 63.200 -0.008 0.000 0.785 145 S HN 1.804 nan 8.310 nan 0.000 0.517 146 G N 0.370 109.169 108.800 -0.002 0.000 2.195 146 G HA2 -0.052 3.908 3.960 0.000 0.000 0.246 146 G HA3 -0.052 3.908 3.960 0.000 0.000 0.246 146 G C 0.348 175.245 174.900 -0.006 0.000 0.984 146 G CA -0.082 45.018 45.100 0.001 0.000 0.633 146 G HN 1.109 nan 8.290 nan 0.000 0.525 147 G N -0.784 108.007 108.800 -0.015 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 -0.033 174.847 174.900 -0.033 0.000 1.259 147 G CA -1.001 44.081 45.100 -0.029 0.000 1.019 147 G HN 0.654 nan 8.290 nan 0.000 0.496 148 I N 0.849 121.386 120.570 -0.055 0.000 2.421 148 I HA 0.114 4.285 4.170 0.000 0.000 0.291 148 I C 0.758 176.850 176.117 -0.042 0.000 1.089 148 I CA 0.221 61.462 61.300 -0.100 0.000 1.354 148 I CB 0.943 38.810 38.000 -0.221 0.000 1.413 148 I HN 0.657 nan 8.210 nan 0.000 0.513 149 E N 2.968 123.149 120.200 -0.031 0.000 2.364 149 E HA 0.059 4.409 4.350 0.000 0.000 0.196 149 E C 0.394 177.017 176.600 0.038 0.000 0.990 149 E CA 0.173 56.582 56.400 0.014 0.000 0.886 149 E CB 0.636 30.342 29.700 0.010 0.000 0.866 149 E HN 0.528 nan 8.360 nan 0.000 0.493 150 S N -0.740 114.957 115.700 -0.004 0.000 2.619 150 S HA 0.241 4.712 4.470 0.000 0.000 0.280 150 S C -0.725 173.853 174.600 -0.036 0.000 1.150 150 S CA -0.633 57.590 58.200 0.039 0.000 0.978 150 S CB 0.493 63.712 63.200 0.032 0.000 1.041 150 S HN 0.136 nan 8.310 nan 0.000 0.485 151 Y N 3.152 123.460 120.300 0.012 0.000 2.529 151 Y HA 0.262 4.812 4.550 0.001 0.000 0.290 151 Y C 1.853 177.752 175.900 -0.002 0.000 1.177 151 Y CA 0.121 58.222 58.100 0.002 0.000 1.305 151 Y CB 0.279 38.736 38.460 -0.006 0.000 1.047 151 Y HN 0.598 nan 8.280 nan 0.000 0.522 152 N N -0.003 118.752 118.700 0.092 0.000 2.270 152 N HA -0.037 4.704 4.740 0.000 0.000 0.198 152 N C -0.641 174.897 175.510 0.047 0.000 1.117 152 N CA 0.461 53.550 53.050 0.065 0.000 0.845 152 N CB 0.334 38.859 38.487 0.063 0.000 0.980 152 N HN 0.230 nan 8.380 nan 0.000 0.486 153 D N 0.618 121.033 120.400 0.025 0.000 2.462 153 D HA 0.214 4.854 4.640 0.000 0.000 0.245 153 D C -1.654 174.654 176.300 0.013 0.000 1.122 153 D CA -2.115 51.921 54.000 0.059 0.000 0.864 153 D CB 1.947 42.789 40.800 0.069 0.000 1.098 153 D HN -0.069 nan 8.370 nan 0.000 0.541 154 P HA -0.174 nan 4.420 nan 0.000 0.220 154 P C 0.923 178.066 177.300 -0.262 0.000 1.148 154 P CA 0.938 63.934 63.100 -0.175 0.000 0.803 154 P CB 0.260 31.849 31.700 -0.185 0.000 0.782 155 Y N 1.642 121.970 120.300 0.046 0.000 2.133 155 Y HA -0.176 4.374 4.550 0.000 0.000 0.287 155 Y C 3.014 178.953 175.900 0.065 0.000 1.134 155 Y CA 1.881 60.088 58.100 0.178 0.000 1.133 155 Y CB -1.268 37.322 38.460 0.217 0.000 0.987 155 Y HN 0.090 nan 8.280 nan 0.000 0.502 156 Q N 0.384 120.272 119.800 0.147 0.000 2.230 156 Q HA -0.097 4.244 4.340 0.000 0.000 0.202 156 Q C 2.007 177.974 176.000 -0.056 0.000 0.963 156 Q CA 1.728 57.559 55.803 0.047 0.000 0.866 156 Q CB -0.796 27.952 28.738 0.016 0.000 0.931 156 Q HN 0.476 nan 8.270 nan 0.000 0.452 157 V N -1.121 118.702 119.914 -0.152 0.000 2.667 157 V HA -0.054 4.066 4.120 0.000 0.000 0.252 157 V C 1.928 177.976 176.094 -0.077 0.000 1.065 157 V CA 1.261 63.450 62.300 -0.186 0.000 1.083 157 V CB -0.439 31.179 31.823 -0.342 0.000 0.692 157 V HN 0.233 nan 8.190 nan 0.000 0.468 158 R N -0.105 120.264 120.500 -0.218 0.000 2.237 158 R HA 0.145 4.485 4.340 0.000 0.000 0.195 158 R C 1.302 177.587 176.300 -0.027 0.000 0.956 158 R CA 0.932 56.856 56.100 -0.293 0.000 1.029 158 R CB 0.003 29.690 30.300 -1.021 0.000 0.972 158 R HN 0.494 nan 8.270 nan 0.000 0.493 159 D N -0.670 119.781 120.400 0.086 0.000 2.417 159 D HA 0.089 4.729 4.640 0.000 0.000 0.207 159 D C 0.320 176.690 176.300 0.116 0.000 1.075 159 D CA 0.217 54.324 54.000 0.178 0.000 0.851 159 D CB 0.401 41.368 40.800 0.278 0.000 0.976 159 D HN 0.054 nan 8.370 nan 0.000 0.505 160 c N 1.074 119.712 118.600 0.064 0.000 2.325 160 c HA 0.400 4.970 4.570 0.000 0.000 0.370 160 c C 0.507 174.601 174.090 0.006 0.000 1.217 160 c CA -0.885 55.465 56.329 0.034 0.000 2.254 160 c CB 1.100 43.613 42.510 0.006 0.000 2.282 160 c HN 0.150 nan 8.230 nan 0.000 0.564 161 Q N 1.067 120.860 119.800 -0.012 0.000 2.297 161 Q HA 0.295 4.636 4.340 0.000 0.000 0.267 161 Q C -0.537 175.398 176.000 -0.109 0.000 1.006 161 Q CA 0.137 55.912 55.803 -0.047 0.000 0.896 161 Q CB 0.553 29.265 28.738 -0.045 0.000 1.186 161 Q HN 0.550 nan 8.270 nan 0.000 0.392 162 L N 4.682 125.794 121.223 -0.184 0.000 2.315 162 L HA 0.071 4.411 4.340 0.000 0.000 0.283 162 L C 0.333 177.057 176.870 -0.244 0.000 1.089 162 L CA -0.315 54.355 54.840 -0.283 0.000 0.833 162 L CB 0.598 42.378 42.059 -0.465 0.000 1.170 162 L HN 0.813 nan 8.230 nan 0.000 0.442 163 V N 2.491 122.297 119.914 -0.180 0.000 5.359 163 V HA -0.274 3.847 4.120 0.000 0.000 0.278 163 V C 0.969 176.963 176.094 -0.167 0.000 0.622 163 V CA 0.952 63.148 62.300 -0.173 0.000 0.649 163 V CB -2.703 28.988 31.823 -0.220 0.000 0.408 163 V HN 1.442 nan 8.190 nan 0.000 0.918 164 G N -0.608 108.115 108.800 -0.130 0.000 2.155 164 G HA2 -0.252 3.708 3.960 0.000 0.000 0.257 164 G HA3 -0.252 3.708 3.960 0.000 0.000 0.257 164 G C -0.028 174.809 174.900 -0.105 0.000 0.983 164 G CA 0.319 45.356 45.100 -0.105 0.000 0.676 164 G HN 1.390 nan 8.290 nan 0.000 0.528 165 L N 0.475 121.611 121.223 -0.144 0.000 2.312 165 L HA 0.494 4.834 4.340 0.000 0.000 0.281 165 L C 1.233 178.076 176.870 -0.044 0.000 1.070 165 L CA -1.065 53.697 54.840 -0.130 0.000 0.805 165 L CB 1.154 43.009 42.059 -0.340 0.000 1.174 165 L HN 0.007 nan 8.230 nan 0.000 0.434 166 L N 2.717 123.945 121.223 0.008 0.000 2.597 166 L HA -0.014 4.326 4.340 0.000 0.000 0.271 166 L C 0.036 177.055 176.870 0.248 0.000 1.157 166 L CA 0.161 55.016 54.840 0.026 0.000 0.928 166 L CB -0.216 41.729 42.059 -0.189 0.000 1.216 166 L HN 0.552 nan 8.230 nan 0.000 0.481 167 D N 3.382 123.934 120.400 0.252 0.000 2.325 167 D HA 0.222 4.862 4.640 0.000 0.000 0.251 167 D C -0.318 176.137 176.300 0.259 0.000 1.196 167 D CA -0.428 53.719 54.000 0.244 0.000 0.866 167 D CB 0.783 41.676 40.800 0.156 0.000 1.101 167 D HN 0.108 nan 8.370 nan 0.000 0.476 168 L N 2.877 124.150 121.223 0.084 0.000 2.416 168 L HA 0.281 4.621 4.340 0.000 0.000 0.272 168 L C 0.469 177.278 176.870 -0.100 0.000 1.161 168 L CA -0.348 54.377 54.840 -0.192 0.000 0.845 168 L CB 0.423 42.334 42.059 -0.247 0.000 1.119 168 L HN 0.519 nan 8.230 nan 0.000 0.464 169 A N 5.424 128.136 122.820 -0.180 0.000 3.026 169 A HA 0.133 4.454 4.320 0.000 0.000 0.272 169 A C 1.149 178.722 177.584 -0.017 0.000 1.782 169 A CA -0.344 51.665 52.037 -0.046 0.000 1.451 169 A CB -0.699 18.273 19.000 -0.048 0.000 1.081 169 A HN 0.658 nan 8.150 nan 0.000 0.611 170 L N 1.145 122.386 121.223 0.030 0.000 2.642 170 L HA -0.097 4.243 4.340 0.000 0.000 0.236 170 L C 2.351 179.257 176.870 0.060 0.000 1.169 170 L CA 1.674 56.544 54.840 0.049 0.000 0.851 170 L CB -0.801 41.309 42.059 0.085 0.000 0.968 170 L HN 0.888 nan 8.230 nan 0.000 0.453 171 E N -0.091 120.141 120.200 0.054 0.000 2.400 171 E HA -0.062 4.289 4.350 0.000 0.000 0.195 171 E C 0.250 176.869 176.600 0.032 0.000 1.012 171 E CA 0.013 56.431 56.400 0.030 0.000 0.875 171 E CB 0.216 29.916 29.700 0.001 0.000 0.859 171 E HN 0.326 nan 8.360 nan 0.000 0.498 172 K N 1.502 121.931 120.400 0.048 0.000 2.218 172 K HA 0.069 4.390 4.320 0.000 0.000 0.276 172 K C 0.070 176.726 176.600 0.092 0.000 1.022 172 K CA 0.149 56.481 56.287 0.075 0.000 0.946 172 K CB 1.238 33.797 32.500 0.097 0.000 1.000 172 K HN -0.083 nan 8.250 nan 0.000 0.468 173 D N 1.416 121.874 120.400 0.097 0.000 2.219 173 D HA -0.202 4.439 4.640 0.000 0.000 0.205 173 D C 1.527 177.898 176.300 0.119 0.000 0.970 173 D CA 1.141 55.191 54.000 0.084 0.000 0.851 173 D CB 0.053 40.894 40.800 0.068 0.000 0.943 173 D HN 0.612 nan 8.370 nan 0.000 0.488 174 Y N 0.209 120.538 120.300 0.049 0.000 2.097 174 Y HA -0.244 4.306 4.550 0.000 0.000 0.282 174 Y C 2.072 178.022 175.900 0.083 0.000 1.152 174 Y CA 1.623 59.764 58.100 0.069 0.000 1.136 174 Y CB -0.367 38.152 38.460 0.099 0.000 0.975 174 Y HN -0.093 nan 8.280 nan 0.000 0.498 175 V N 0.425 120.525 119.914 0.310 0.000 2.295 175 V HA -0.299 3.821 4.120 0.000 0.000 0.246 175 V C 2.356 178.491 176.094 0.069 0.000 1.049 175 V CA 2.280 64.707 62.300 0.212 0.000 1.024 175 V CB -0.635 31.232 31.823 0.073 0.000 0.648 175 V HN 0.302 nan 8.190 nan 0.000 0.447 176 R N 0.019 120.542 120.500 0.037 0.000 2.105 176 R HA -0.125 4.215 4.340 0.000 0.000 0.239 176 R C 2.547 178.815 176.300 -0.053 0.000 1.135 176 R CA 1.766 57.860 56.100 -0.009 0.000 0.967 176 R CB -0.424 29.878 30.300 0.003 0.000 0.861 176 R HN 0.448 nan 8.270 nan 0.000 0.442 177 S N -0.052 115.611 115.700 -0.061 0.000 2.414 177 S HA -0.082 4.388 4.470 0.000 0.000 0.227 177 S C 1.663 176.169 174.600 -0.157 0.000 1.022 177 S CA 0.840 58.978 58.200 -0.104 0.000 0.958 177 S CB -0.054 63.085 63.200 -0.101 0.000 0.797 177 S HN 0.151 nan 8.310 nan 0.000 0.493 178 M N 1.597 121.088 119.600 -0.181 0.000 2.132 178 M HA 0.078 4.558 4.480 0.000 0.000 0.263 178 M C 1.662 177.814 176.300 -0.246 0.000 1.065 178 M CA 1.491 56.663 55.300 -0.214 0.000 1.122 178 M CB -0.451 32.058 32.600 -0.151 0.000 1.365 178 M HN 0.246 nan 8.290 nan 0.000 0.411 179 I N -0.700 119.747 120.570 -0.204 0.000 2.202 179 I HA -0.226 3.944 4.170 0.000 0.000 0.242 179 I C 2.345 178.311 176.117 -0.253 0.000 1.091 179 I CA 1.078 62.210 61.300 -0.281 0.000 1.368 179 I CB -0.710 37.196 38.000 -0.156 0.000 1.058 179 I HN 0.320 nan 8.210 nan 0.000 0.410 180 A N 0.417 123.112 122.820 -0.209 0.000 1.940 180 A HA -0.253 4.067 4.320 0.000 0.000 0.219 180 A C 1.925 179.359 177.584 -0.250 0.000 1.176 180 A CA 2.099 54.001 52.037 -0.226 0.000 0.631 180 A CB -0.567 18.334 19.000 -0.165 0.000 0.814 180 A HN 0.345 nan 8.150 nan 0.000 0.446 181 D N -1.977 118.299 120.400 -0.208 0.000 2.178 181 D HA -0.120 4.520 4.640 0.000 0.000 0.202 181 D C 1.618 177.813 176.300 -0.175 0.000 0.974 181 D CA 1.383 55.276 54.000 -0.179 0.000 0.841 181 D CB -0.339 40.381 40.800 -0.135 0.000 0.953 181 D HN 0.725 nan 8.370 nan 0.000 0.478 182 Y N 1.126 121.212 120.300 -0.356 0.000 2.184 182 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 182 Y C 2.106 177.825 175.900 -0.302 0.000 1.129 182 Y CA 1.176 59.053 58.100 -0.371 0.000 1.144 182 Y CB -0.175 37.873 38.460 -0.687 0.000 0.995 182 Y HN -0.133 nan 8.280 nan 0.000 0.513 183 L N 0.488 121.327 121.223 -0.639 0.000 2.093 183 L HA -0.219 4.121 4.340 0.000 0.000 0.208 183 L C 2.090 178.748 176.870 -0.354 0.000 1.085 183 L CA 1.133 55.544 54.840 -0.716 0.000 0.755 183 L CB -0.743 40.804 42.059 -0.854 0.000 0.904 183 L HN 0.319 nan 8.230 nan 0.000 0.435 184 N N 0.546 119.036 118.700 -0.351 0.000 2.166 184 N HA -0.198 4.543 4.740 0.000 0.000 0.186 184 N C 1.789 177.180 175.510 -0.197 0.000 1.019 184 N CA 1.130 53.961 53.050 -0.364 0.000 0.856 184 N CB -0.124 37.963 38.487 -0.667 0.000 0.993 184 N HN 0.336 nan 8.380 nan 0.000 0.426 185 K N 0.502 120.794 120.400 -0.179 0.000 2.063 185 K HA -0.104 4.216 4.320 0.000 0.000 0.208 185 K C 1.651 178.194 176.600 -0.094 0.000 1.048 185 K CA 0.839 57.066 56.287 -0.099 0.000 0.928 185 K CB -0.004 32.440 32.500 -0.092 0.000 0.713 185 K HN -0.056 nan 8.250 nan 0.000 0.442 186 L N 1.431 122.559 121.223 -0.159 0.000 2.083 186 L HA -0.125 4.216 4.340 0.000 0.000 0.209 186 L C 2.145 179.011 176.870 -0.007 0.000 1.083 186 L CA 1.479 56.257 54.840 -0.104 0.000 0.752 186 L CB -0.563 41.450 42.059 -0.078 0.000 0.899 186 L HN 0.264 nan 8.230 nan 0.000 0.433 187 I N -0.634 119.952 120.570 0.026 0.000 2.315 187 I HA -0.265 3.905 4.170 0.000 0.000 0.248 187 I C 1.830 178.000 176.117 0.088 0.000 1.117 187 I CA 1.022 62.341 61.300 0.032 0.000 1.404 187 I CB -0.317 37.707 38.000 0.039 0.000 1.071 187 I HN 0.217 nan 8.210 nan 0.000 0.419 188 D N 0.959 121.418 120.400 0.099 0.000 2.178 188 D HA -0.092 4.548 4.640 0.000 0.000 0.202 188 D C 2.188 178.587 176.300 0.165 0.000 0.974 188 D CA 1.112 55.197 54.000 0.142 0.000 0.841 188 D CB -0.103 40.775 40.800 0.130 0.000 0.953 188 D HN 0.316 nan 8.370 nan 0.000 0.478 189 I N -0.618 120.028 120.570 0.127 0.000 2.394 189 I HA -0.038 4.132 4.170 0.000 0.000 0.251 189 I C 1.561 177.805 176.117 0.212 0.000 1.136 189 I CA 1.224 62.617 61.300 0.154 0.000 1.425 189 I CB 0.055 38.114 38.000 0.099 0.000 1.079 189 I HN 0.198 nan 8.210 nan 0.000 0.425 190 G N 0.141 109.047 108.800 0.177 0.000 2.276 190 G HA2 -0.130 3.830 3.960 0.000 0.000 0.177 190 G HA3 -0.130 3.830 3.960 0.000 0.000 0.177 190 G C 0.069 174.976 174.900 0.012 0.000 1.017 190 G CA -0.496 44.702 45.100 0.163 0.000 0.750 190 G HN 0.028 nan 8.290 nan 0.000 0.506 191 V N 1.239 121.113 119.914 -0.066 0.000 2.715 191 V HA 0.480 4.600 4.120 0.000 0.000 0.299 191 V C 1.650 177.542 176.094 -0.336 0.000 1.054 191 V CA 0.987 63.142 62.300 -0.241 0.000 1.077 191 V CB 1.457 33.093 31.823 -0.312 0.000 0.972 191 V HN 0.750 nan 8.190 nan 0.000 0.484 192 A N 3.272 125.825 122.820 -0.445 0.000 2.147 192 A HA 0.628 4.949 4.320 0.000 0.000 0.211 192 A C 0.978 178.354 177.584 -0.346 0.000 1.160 192 A CA 0.898 52.639 52.037 -0.492 0.000 0.781 192 A CB -0.012 18.785 19.000 -0.339 0.000 0.842 192 A HN 1.227 nan 8.150 nan 0.000 0.475 193 G N -2.203 106.345 108.800 -0.420 0.000 2.428 193 G HA2 0.508 4.468 3.960 0.000 0.000 0.304 193 G HA3 0.508 4.468 3.960 0.000 0.000 0.304 193 G C -1.545 172.975 174.900 -0.634 0.000 1.303 193 G CA -0.681 44.292 45.100 -0.212 0.000 0.825 193 G HN 0.155 nan 8.290 nan 0.000 0.484 194 F N -0.648 119.292 119.950 -0.016 0.000 2.613 194 F HA 0.682 5.209 4.527 0.000 0.000 0.310 194 F C 0.211 175.614 175.800 -0.661 0.000 1.085 194 F CA -0.896 56.980 58.000 -0.205 0.000 0.945 194 F CB 2.582 41.465 39.000 -0.194 0.000 1.298 194 F HN 0.455 nan 8.300 nan 0.000 0.455 195 R N 3.135 123.311 120.500 -0.541 0.000 2.215 195 R HA 0.460 4.800 4.340 0.000 0.000 0.336 195 R C -1.257 174.836 176.300 -0.345 0.000 0.996 195 R CA -0.506 54.978 56.100 -1.028 0.000 0.847 195 R CB 0.355 30.235 30.300 -0.700 0.000 1.127 195 R HN 0.562 nan 8.270 nan 0.000 0.465 196 I N 4.349 124.747 120.570 -0.286 0.000 2.329 196 I HA 0.030 4.201 4.170 0.000 0.000 0.295 196 I C 0.360 176.463 176.117 -0.023 0.000 1.109 196 I CA -0.304 60.934 61.300 -0.102 0.000 1.297 196 I CB -0.145 37.808 38.000 -0.078 0.000 1.433 196 I HN 0.658 nan 8.210 nan 0.000 0.509 197 D N 5.699 126.134 120.400 0.057 0.000 2.443 197 D HA 0.275 4.915 4.640 0.000 0.000 0.239 197 D C 0.948 177.338 176.300 0.149 0.000 1.136 197 D CA 0.313 54.405 54.000 0.153 0.000 0.879 197 D CB 0.801 41.771 40.800 0.283 0.000 1.195 197 D HN 0.774 nan 8.370 nan 0.000 0.443 198 A N 2.949 125.877 122.820 0.180 0.000 2.560 198 A HA -0.226 4.095 4.320 0.000 0.000 0.299 198 A C 1.640 179.312 177.584 0.147 0.000 1.484 198 A CA 1.159 53.337 52.037 0.235 0.000 0.749 198 A CB -2.006 17.204 19.000 0.350 0.000 1.072 198 A HN 0.461 nan 8.150 nan 0.000 0.426 199 S N -0.610 115.099 115.700 0.015 0.000 2.474 199 S HA -0.098 4.372 4.470 0.000 0.000 0.235 199 S C 1.750 176.250 174.600 -0.167 0.000 0.997 199 S CA 1.249 59.415 58.200 -0.057 0.000 0.949 199 S CB -0.045 63.064 63.200 -0.152 0.000 0.766 199 S HN 0.870 nan 8.310 nan 0.000 0.517 200 K N 1.074 121.305 120.400 -0.282 0.000 2.211 200 K HA -0.089 4.231 4.320 0.000 0.000 0.203 200 K C 0.797 177.160 176.600 -0.394 0.000 1.050 200 K CA 1.001 57.062 56.287 -0.376 0.000 0.945 200 K CB -0.063 32.173 32.500 -0.440 0.000 0.732 200 K HN 0.432 nan 8.250 nan 0.000 0.451 201 H N -0.205 118.838 119.070 -0.044 0.000 2.567 201 H HA 0.227 4.783 4.556 0.000 0.000 0.294 201 H C -0.147 175.121 175.328 -0.100 0.000 1.050 201 H CA 0.272 56.274 56.048 -0.076 0.000 1.168 201 H CB -0.003 29.755 29.762 -0.006 0.000 1.422 201 H HN 0.169 nan 8.280 nan 0.000 0.562 202 M N -0.465 119.110 119.600 -0.042 0.000 2.550 202 M HA 0.194 4.674 4.480 0.000 0.000 0.292 202 M C -1.244 174.995 176.300 -0.102 0.000 1.221 202 M CA -0.834 54.447 55.300 -0.032 0.000 0.873 202 M CB 2.607 35.268 32.600 0.101 0.000 1.727 202 M HN 0.016 nan 8.290 nan 0.000 0.459 203 W N 1.971 123.291 121.300 0.033 0.000 2.266 203 W HA 0.269 4.929 4.660 0.001 0.000 0.317 203 W C -1.833 174.638 176.519 -0.080 0.000 1.310 203 W CA -0.946 56.367 57.345 -0.053 0.000 1.207 203 W CB -0.194 29.226 29.460 -0.067 0.000 1.199 203 W HN 0.467 nan 8.180 nan 0.000 0.544 204 P HA -0.216 nan 4.420 nan 0.000 0.216 204 P C 1.728 179.025 177.300 -0.006 0.000 1.153 204 P CA 2.450 65.440 63.100 -0.184 0.000 0.858 204 P CB 0.099 31.545 31.700 -0.423 0.000 0.789 205 G N -0.783 108.042 108.800 0.041 0.000 2.443 205 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 205 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 205 G C 1.163 176.093 174.900 0.050 0.000 1.131 205 G CA 0.676 45.797 45.100 0.034 0.000 0.775 205 G HN 0.193 nan 8.290 nan 0.000 0.547 206 D N 0.455 120.915 120.400 0.101 0.000 2.162 206 D HA 0.017 4.657 4.640 0.000 0.000 0.203 206 D C 2.561 178.898 176.300 0.062 0.000 0.967 206 D CA 0.181 54.235 54.000 0.089 0.000 0.840 206 D CB 0.002 40.892 40.800 0.150 0.000 0.972 206 D HN 0.349 nan 8.370 nan 0.000 0.482 207 I N 0.607 121.222 120.570 0.075 0.000 2.252 207 I HA -0.242 3.929 4.170 0.000 0.000 0.245 207 I C 2.277 178.407 176.117 0.022 0.000 1.102 207 I CA 0.855 62.186 61.300 0.052 0.000 1.385 207 I CB -0.069 37.989 38.000 0.096 0.000 1.064 207 I HN -0.113 nan 8.210 nan 0.000 0.414 208 K N 1.668 122.084 120.400 0.028 0.000 2.057 208 K HA -0.108 4.213 4.320 0.000 0.000 0.207 208 K C 2.023 178.623 176.600 0.001 0.000 1.049 208 K CA 1.688 57.983 56.287 0.013 0.000 0.931 208 K CB -0.406 32.104 32.500 0.016 0.000 0.714 208 K HN 0.286 nan 8.250 nan 0.000 0.440 209 A N -0.338 122.484 122.820 0.004 0.000 2.067 209 A HA -0.048 4.272 4.320 0.000 0.000 0.219 209 A C 2.155 179.728 177.584 -0.018 0.000 1.158 209 A CA 1.494 53.529 52.037 -0.003 0.000 0.661 209 A CB -0.325 18.677 19.000 0.004 0.000 0.801 209 A HN 0.124 nan 8.150 nan 0.000 0.452 210 V N -0.721 119.176 119.914 -0.028 0.000 2.535 210 V HA -0.098 4.023 4.120 0.000 0.000 0.246 210 V C 2.300 178.346 176.094 -0.080 0.000 1.045 210 V CA 1.159 63.422 62.300 -0.062 0.000 1.058 210 V CB -0.506 31.272 31.823 -0.076 0.000 0.689 210 V HN 0.437 nan 8.190 nan 0.000 0.461 211 L N 0.187 121.373 121.223 -0.063 0.000 2.141 211 L HA -0.121 4.219 4.340 0.000 0.000 0.209 211 L C 1.956 178.801 176.870 -0.043 0.000 1.094 211 L CA 1.693 56.496 54.840 -0.061 0.000 0.763 211 L CB -1.046 40.987 42.059 -0.044 0.000 0.908 211 L HN 0.316 nan 8.230 nan 0.000 0.437 212 D N -0.483 119.900 120.400 -0.028 0.000 2.350 212 D HA -0.114 4.526 4.640 0.000 0.000 0.216 212 D C 1.813 178.106 176.300 -0.012 0.000 0.968 212 D CA 0.752 54.744 54.000 -0.014 0.000 0.894 212 D CB 0.067 40.864 40.800 -0.006 0.000 0.909 212 D HN 0.332 nan 8.370 nan 0.000 0.520 213 K N -0.264 120.116 120.400 -0.032 0.000 2.374 213 K HA 0.175 4.496 4.320 0.000 0.000 0.196 213 K C 0.483 177.053 176.600 -0.051 0.000 1.023 213 K CA -0.065 56.202 56.287 -0.033 0.000 1.103 213 K CB 0.782 33.247 32.500 -0.058 0.000 0.848 213 K HN 0.079 nan 8.250 nan 0.000 0.528 214 L N 1.607 122.793 121.223 -0.062 0.000 2.371 214 L HA 0.177 4.517 4.340 0.000 0.000 0.272 214 L C 0.599 177.488 176.870 0.031 0.000 1.124 214 L CA -0.404 54.381 54.840 -0.092 0.000 0.816 214 L CB 0.476 42.487 42.059 -0.080 0.000 1.129 214 L HN 0.205 nan 8.230 nan 0.000 0.448 215 H N 1.118 120.175 119.070 -0.021 0.000 2.639 215 H HA 0.150 4.706 4.556 0.001 0.000 0.373 215 H C -0.131 175.188 175.328 -0.015 0.000 1.372 215 H CA -0.950 55.089 56.048 -0.014 0.000 1.448 215 H CB 0.626 30.383 29.762 -0.009 0.000 1.544 215 H HN 0.533 nan 8.280 nan 0.000 0.615 216 N N 0.282 119.061 118.700 0.131 0.000 2.463 216 N HA 0.125 4.865 4.740 0.000 0.000 0.270 216 N C -0.179 175.354 175.510 0.039 0.000 1.205 216 N CA -0.407 52.673 53.050 0.050 0.000 0.974 216 N CB 0.807 39.314 38.487 0.033 0.000 1.197 216 N HN 0.294 nan 8.380 nan 0.000 0.504 217 L N 1.153 122.351 121.223 -0.042 0.000 2.483 217 L HA 0.014 4.354 4.340 0.000 0.000 0.275 217 L C 1.232 178.178 176.870 0.127 0.000 1.220 217 L CA -0.227 54.550 54.840 -0.105 0.000 0.833 217 L CB 0.093 41.824 42.059 -0.547 0.000 1.102 217 L HN 0.455 nan 8.230 nan 0.000 0.490 218 N N 1.214 120.084 118.700 0.284 0.000 2.429 218 N HA -0.071 4.669 4.740 0.000 0.000 0.271 218 N C 1.044 176.765 175.510 0.351 0.000 1.272 218 N CA 0.293 53.546 53.050 0.339 0.000 0.921 218 N CB 0.984 39.753 38.487 0.470 0.000 1.128 218 N HN 0.669 nan 8.380 nan 0.000 0.481 219 T N 0.772 115.415 114.554 0.147 0.000 3.077 219 T HA -0.067 4.283 4.350 0.000 0.000 0.269 219 T C 1.233 175.894 174.700 -0.065 0.000 1.146 219 T CA 0.604 62.748 62.100 0.073 0.000 1.091 219 T CB 0.003 68.885 68.868 0.022 0.000 0.892 219 T HN 0.346 nan 8.240 nan 0.000 0.533 220 N N 0.193 118.760 118.700 -0.221 0.000 2.381 220 N HA -0.003 4.738 4.740 0.000 0.000 0.182 220 N C 0.819 175.900 175.510 -0.717 0.000 1.025 220 N CA 0.887 53.571 53.050 -0.609 0.000 0.888 220 N CB -0.128 37.672 38.487 -1.144 0.000 0.965 220 N HN 0.663 nan 8.380 nan 0.000 0.438 221 W N -1.398 119.804 121.300 -0.163 0.000 2.661 221 W HA 0.306 4.966 4.660 0.001 0.000 0.288 221 W C -0.439 175.687 176.519 -0.655 0.000 1.014 221 W CA -0.252 56.821 57.345 -0.453 0.000 1.396 221 W CB 0.105 29.152 29.460 -0.689 0.000 0.963 221 W HN -0.179 nan 8.180 nan 0.000 0.584 222 F N 0.905 120.957 119.950 0.169 0.000 2.561 222 F HA 0.507 5.035 4.527 0.000 0.000 0.321 222 F C -2.026 173.803 175.800 0.049 0.000 1.065 222 F CA -2.606 55.453 58.000 0.098 0.000 0.934 222 F CB 0.326 39.381 39.000 0.091 0.000 1.215 222 F HN -0.479 nan 8.300 nan 0.000 0.471 223 P HA 0.153 nan 4.420 nan 0.000 0.269 223 P C -0.863 176.507 177.300 0.116 0.000 1.215 223 P CA -0.275 62.898 63.100 0.122 0.000 0.780 223 P CB 0.472 32.234 31.700 0.103 0.000 0.898 224 A N 2.066 124.928 122.820 0.070 0.000 2.498 224 A HA 0.441 4.761 4.320 0.000 0.000 0.239 224 A C 1.299 178.911 177.584 0.048 0.000 1.068 224 A CA 0.521 52.591 52.037 0.054 0.000 0.766 224 A CB -1.249 17.770 19.000 0.030 0.000 1.003 224 A HN 0.889 nan 8.150 nan 0.000 0.497 225 G N 1.583 110.407 108.800 0.040 0.000 2.225 225 G HA2 -0.148 3.812 3.960 0.000 0.000 0.264 225 G HA3 -0.148 3.812 3.960 0.000 0.000 0.264 225 G C 0.235 175.154 174.900 0.031 0.000 1.060 225 G CA 0.333 45.452 45.100 0.030 0.000 0.833 225 G HN 1.095 nan 8.290 nan 0.000 0.498 226 S N -0.713 115.006 115.700 0.032 0.000 2.525 226 S HA 0.672 5.142 4.470 0.000 0.000 0.278 226 S C 0.461 175.043 174.600 -0.029 0.000 1.234 226 S CA -0.557 57.648 58.200 0.009 0.000 1.058 226 S CB 1.695 64.905 63.200 0.016 0.000 0.983 226 S HN 0.570 nan 8.310 nan 0.000 0.495 227 R N 3.335 123.819 120.500 -0.026 0.000 2.407 227 R HA 0.467 4.808 4.340 0.000 0.000 0.303 227 R C -2.574 173.698 176.300 -0.046 0.000 0.981 227 R CA -1.971 54.112 56.100 -0.028 0.000 0.905 227 R CB 0.622 30.913 30.300 -0.014 0.000 1.099 227 R HN 0.323 nan 8.270 nan 0.000 0.459 228 P HA -0.061 nan 4.420 nan 0.000 0.269 228 P C -0.706 176.643 177.300 0.082 0.000 1.209 228 P CA 0.135 63.218 63.100 -0.028 0.000 0.776 228 P CB 0.380 32.093 31.700 0.022 0.000 0.876 229 F N 3.819 123.746 119.950 -0.038 0.000 2.504 229 F HA 0.262 4.789 4.527 0.000 0.000 0.369 229 F C -0.070 175.775 175.800 0.074 0.000 1.082 229 F CA -0.422 57.584 58.000 0.011 0.000 1.216 229 F CB 0.305 39.349 39.000 0.073 0.000 1.108 229 F HN 0.090 nan 8.300 nan 0.000 0.554 230 I N 8.649 129.026 120.570 -0.322 0.000 2.418 230 I HA 0.260 4.430 4.170 0.000 0.000 0.287 230 I C -0.938 174.929 176.117 -0.418 0.000 1.008 230 I CA -0.646 60.460 61.300 -0.323 0.000 1.104 230 I CB 1.311 39.223 38.000 -0.148 0.000 1.264 230 I HN 0.538 nan 8.210 nan 0.000 0.438 231 F N 3.947 123.572 119.950 -0.542 0.000 2.507 231 F HA 0.678 5.205 4.527 0.000 0.000 0.328 231 F C -0.491 175.219 175.800 -0.150 0.000 1.136 231 F CA -0.851 56.922 58.000 -0.378 0.000 0.930 231 F CB 1.105 39.821 39.000 -0.474 0.000 1.166 231 F HN 0.364 nan 8.300 nan 0.000 0.436 232 Q N 2.642 122.468 119.800 0.043 0.000 2.241 232 Q HA 0.215 4.556 4.340 0.000 0.000 0.254 232 Q C -0.601 175.430 176.000 0.052 0.000 0.917 232 Q CA -0.763 55.038 55.803 -0.004 0.000 0.919 232 Q CB 2.211 30.949 28.738 0.000 0.000 1.237 232 Q HN 0.691 nan 8.270 nan 0.000 0.434 233 E N 2.959 123.183 120.200 0.041 0.000 1.996 233 E HA 0.212 4.562 4.350 0.000 0.000 0.280 233 E C -1.423 175.214 176.600 0.063 0.000 1.092 233 E CA -0.296 56.194 56.400 0.149 0.000 0.862 233 E CB 0.807 30.617 29.700 0.184 0.000 1.066 233 E HN 0.443 nan 8.360 nan 0.000 0.396 234 V N 4.876 124.841 119.914 0.084 0.000 2.525 234 V HA 0.463 4.583 4.120 0.000 0.000 0.299 234 V C -0.615 175.532 176.094 0.088 0.000 1.034 234 V CA -0.818 61.438 62.300 -0.074 0.000 0.863 234 V CB 1.377 32.968 31.823 -0.387 0.000 0.999 234 V HN 0.498 nan 8.190 nan 0.000 0.423 235 I N 5.370 125.897 120.570 -0.071 0.000 2.312 235 I HA 0.489 4.660 4.170 0.000 0.000 0.291 235 I C -0.595 175.474 176.117 -0.081 0.000 1.031 235 I CA 0.238 61.421 61.300 -0.195 0.000 1.293 235 I CB 1.125 38.845 38.000 -0.467 0.000 1.403 235 I HN 0.758 nan 8.210 nan 0.000 0.484 236 D N 7.360 127.769 120.400 0.014 0.000 2.330 236 D HA 0.195 4.835 4.640 0.000 0.000 0.249 236 D C -0.073 176.258 176.300 0.052 0.000 1.306 236 D CA -0.364 53.650 54.000 0.024 0.000 0.956 236 D CB 1.060 41.885 40.800 0.041 0.000 1.261 236 D HN 0.196 nan 8.370 nan 0.000 0.544 237 L N 2.357 123.596 121.223 0.028 0.000 2.629 237 L HA 0.500 4.840 4.340 0.000 0.000 0.230 237 L C 1.256 178.158 176.870 0.054 0.000 1.151 237 L CA 0.666 55.538 54.840 0.053 0.000 0.924 237 L CB -1.017 41.065 42.059 0.039 0.000 1.137 237 L HN 0.712 nan 8.230 nan 0.000 0.457 238 G N -1.022 107.804 108.800 0.044 0.000 2.663 238 G HA2 0.166 4.126 3.960 0.000 0.000 0.686 238 G HA3 0.166 4.126 3.960 0.000 0.000 0.686 238 G C 0.448 175.363 174.900 0.026 0.000 1.288 238 G CA -0.292 44.831 45.100 0.040 0.000 0.836 238 G HN 0.587 nan 8.290 nan 0.000 0.584 239 G N -0.484 108.330 108.800 0.024 0.000 2.370 239 G HA2 0.220 4.180 3.960 0.000 0.000 0.293 239 G HA3 0.220 4.180 3.960 0.000 0.000 0.293 239 G C 0.135 175.049 174.900 0.024 0.000 0.992 239 G CA 2.101 47.213 45.100 0.021 0.000 1.247 239 G HN 1.611 nan 8.290 nan 0.000 0.505 240 E N -1.291 118.925 120.200 0.028 0.000 2.423 240 E HA 0.659 5.010 4.350 0.000 0.000 0.280 240 E C 1.127 177.747 176.600 0.033 0.000 1.030 240 E CA -0.230 56.193 56.400 0.039 0.000 0.812 240 E CB 0.637 30.360 29.700 0.039 0.000 1.313 240 E HN 0.618 nan 8.360 nan 0.000 0.456 241 A N 2.467 125.310 122.820 0.038 0.000 1.873 241 A HA 0.075 4.395 4.320 0.000 0.000 0.215 241 A C 0.965 178.551 177.584 0.004 0.000 1.186 241 A CA 0.830 52.880 52.037 0.021 0.000 0.616 241 A CB -0.361 18.650 19.000 0.018 0.000 0.823 241 A HN 0.494 nan 8.150 nan 0.000 0.442 242 I N 0.406 120.975 120.570 -0.002 0.000 2.428 242 I HA 0.207 4.378 4.170 0.000 0.000 0.289 242 I C -0.101 176.029 176.117 0.022 0.000 1.019 242 I CA -0.112 61.188 61.300 -0.000 0.000 1.351 242 I CB 1.175 39.164 38.000 -0.018 0.000 1.412 242 I HN 0.186 nan 8.210 nan 0.000 0.513 243 K N 3.479 123.899 120.400 0.033 0.000 2.328 243 K HA 0.386 4.707 4.320 0.000 0.000 0.246 243 K C 0.550 177.172 176.600 0.036 0.000 0.955 243 K CA -0.710 55.587 56.287 0.015 0.000 0.817 243 K CB 2.076 34.562 32.500 -0.023 0.000 1.208 243 K HN 0.450 nan 8.250 nan 0.000 0.432 244 S N 0.477 116.172 115.700 -0.009 0.000 2.383 244 S HA -0.173 4.297 4.470 0.000 0.000 0.229 244 S C 1.858 176.259 174.600 -0.333 0.000 1.030 244 S CA 1.969 60.154 58.200 -0.025 0.000 1.002 244 S CB -0.215 63.021 63.200 0.060 0.000 0.829 244 S HN 0.789 nan 8.310 nan 0.000 0.467 245 S N 1.828 117.135 115.700 -0.655 0.000 2.440 245 S HA -0.128 4.342 4.470 0.000 0.000 0.238 245 S C 1.459 175.701 174.600 -0.597 0.000 1.010 245 S CA 0.921 58.370 58.200 -1.252 0.000 0.972 245 S CB -0.493 62.316 63.200 -0.651 0.000 0.774 245 S HN 0.583 nan 8.310 nan 0.000 0.501 246 E N 0.225 120.275 120.200 -0.250 0.000 2.204 246 E HA -0.112 4.238 4.350 0.000 0.000 0.195 246 E C 0.856 177.295 176.600 -0.268 0.000 0.990 246 E CA 1.220 57.488 56.400 -0.220 0.000 0.821 246 E CB -0.259 29.290 29.700 -0.251 0.000 0.750 246 E HN 0.825 nan 8.360 nan 0.000 0.477 247 Y N -1.458 118.796 120.300 -0.076 0.000 2.457 247 Y HA 0.071 4.622 4.550 0.001 0.000 0.263 247 Y C 1.278 177.329 175.900 0.252 0.000 1.164 247 Y CA -0.507 57.635 58.100 0.069 0.000 1.274 247 Y CB 0.328 38.832 38.460 0.074 0.000 1.097 247 Y HN -0.008 nan 8.280 nan 0.000 0.523 248 F N 0.011 120.089 119.950 0.212 0.000 2.307 248 F HA -0.085 4.442 4.527 0.000 0.000 0.301 248 F C 2.203 178.153 175.800 0.249 0.000 1.076 248 F CA 0.954 59.082 58.000 0.212 0.000 1.383 248 F CB -1.136 37.948 39.000 0.139 0.000 1.055 248 F HN 0.106 nan 8.300 nan 0.000 0.526 249 G N -0.886 108.126 108.800 0.354 0.000 2.650 249 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 249 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 249 G C 1.562 176.574 174.900 0.186 0.000 1.136 249 G CA 0.283 45.536 45.100 0.255 0.000 0.789 249 G HN 0.237 nan 8.290 nan 0.000 0.536 250 N N 0.282 119.087 118.700 0.175 0.000 2.439 250 N HA 0.241 4.981 4.740 0.000 0.000 0.176 250 N C 1.110 176.600 175.510 -0.034 0.000 1.029 250 N CA 1.092 54.186 53.050 0.074 0.000 0.886 250 N CB 0.853 39.406 38.487 0.110 0.000 1.057 250 N HN 0.413 nan 8.380 nan 0.000 0.437 251 G N -0.517 108.310 108.800 0.046 0.000 2.336 251 G HA2 0.225 4.186 3.960 0.000 0.000 0.286 251 G HA3 0.225 4.186 3.960 0.000 0.000 0.286 251 G C -1.281 173.753 174.900 0.224 0.000 1.269 251 G CA -0.882 44.150 45.100 -0.113 0.000 0.873 251 G HN -0.056 nan 8.290 nan 0.000 0.494 252 R N -1.226 119.382 120.500 0.181 0.000 2.774 252 R HA 0.550 4.891 4.340 0.000 0.000 0.269 252 R C -0.531 175.894 176.300 0.208 0.000 1.068 252 R CA -0.143 56.090 56.100 0.221 0.000 1.180 252 R CB 0.954 31.359 30.300 0.175 0.000 1.077 252 R HN 0.311 nan 8.270 nan 0.000 0.513 253 V N 0.381 120.428 119.914 0.222 0.000 2.789 253 V HA 0.171 4.292 4.120 0.000 0.000 0.311 253 V C -0.064 176.146 176.094 0.193 0.000 1.073 253 V CA -1.064 61.378 62.300 0.237 0.000 0.921 253 V CB 2.075 34.106 31.823 0.346 0.000 1.009 253 V HN 0.957 nan 8.190 nan 0.000 0.426 254 T N 0.151 114.827 114.554 0.204 0.000 2.817 254 T HA 0.250 4.600 4.350 0.000 0.000 0.295 254 T C -0.090 174.668 174.700 0.097 0.000 0.958 254 T CA -0.191 62.016 62.100 0.179 0.000 1.157 254 T CB 0.660 69.633 68.868 0.176 0.000 0.898 254 T HN 0.711 nan 8.240 nan 0.000 0.536 255 E N 2.784 122.943 120.200 -0.068 0.000 1.998 255 E HA 0.298 4.648 4.350 0.000 0.000 0.257 255 E C -0.268 176.122 176.600 -0.349 0.000 1.038 255 E CA -0.963 55.354 56.400 -0.138 0.000 0.869 255 E CB -0.610 29.003 29.700 -0.145 0.000 1.135 255 E HN 0.670 nan 8.360 nan 0.000 0.430 256 F N 2.436 122.303 119.950 -0.139 0.000 2.451 256 F HA -0.014 4.513 4.527 0.000 0.000 0.299 256 F C 1.730 177.416 175.800 -0.190 0.000 1.101 256 F CA 0.839 58.749 58.000 -0.149 0.000 1.436 256 F CB 0.140 39.154 39.000 0.024 0.000 1.074 256 F HN 0.393 nan 8.300 nan 0.000 0.553 257 K N -0.977 119.364 120.400 -0.099 0.000 2.148 257 K HA -0.221 4.099 4.320 0.000 0.000 0.204 257 K C 1.793 178.189 176.600 -0.339 0.000 1.050 257 K CA 1.217 57.409 56.287 -0.158 0.000 0.942 257 K CB -0.436 31.962 32.500 -0.170 0.000 0.724 257 K HN 0.258 nan 8.250 nan 0.000 0.446 258 Y N 1.292 121.115 120.300 -0.795 0.000 2.014 258 Y HA -0.282 4.268 4.550 0.001 0.000 0.270 258 Y C 2.427 178.251 175.900 -0.127 0.000 1.145 258 Y CA 2.154 59.878 58.100 -0.627 0.000 1.106 258 Y CB -0.722 37.371 38.460 -0.611 0.000 0.968 258 Y HN 0.067 nan 8.280 nan 0.000 0.484 259 G N -0.990 107.796 108.800 -0.024 0.000 2.443 259 G HA2 -0.146 3.815 3.960 0.000 0.000 0.219 259 G HA3 -0.146 3.815 3.960 0.000 0.000 0.219 259 G C 1.703 176.615 174.900 0.019 0.000 1.131 259 G CA 0.736 45.842 45.100 0.010 0.000 0.775 259 G HN 0.633 nan 8.290 nan 0.000 0.547 260 A N 0.914 123.761 122.820 0.045 0.000 1.898 260 A HA 0.044 4.364 4.320 0.000 0.000 0.216 260 A C 2.285 179.920 177.584 0.084 0.000 1.181 260 A CA 1.776 53.863 52.037 0.083 0.000 0.620 260 A CB -0.254 18.814 19.000 0.113 0.000 0.819 260 A HN 0.353 nan 8.150 nan 0.000 0.442 261 K N -0.702 119.779 120.400 0.135 0.000 2.243 261 K HA 0.193 4.513 4.320 0.000 0.000 0.201 261 K C 1.887 178.502 176.600 0.025 0.000 1.051 261 K CA 0.510 56.925 56.287 0.214 0.000 0.970 261 K CB -0.166 32.620 32.500 0.477 0.000 0.755 261 K HN 0.435 nan 8.250 nan 0.000 0.465 262 L N 0.403 121.571 121.223 -0.091 0.000 2.056 262 L HA -0.095 4.246 4.340 0.000 0.000 0.207 262 L C 2.275 178.939 176.870 -0.343 0.000 1.078 262 L CA 1.382 55.959 54.840 -0.439 0.000 0.749 262 L CB -0.629 41.149 42.059 -0.470 0.000 0.901 262 L HN 0.295 nan 8.230 nan 0.000 0.433 263 G N -1.160 107.516 108.800 -0.206 0.000 2.440 263 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 263 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 263 G C 1.444 176.150 174.900 -0.323 0.000 1.154 263 G CA 1.299 46.263 45.100 -0.227 0.000 0.767 263 G HN 0.344 nan 8.290 nan 0.000 0.552 264 T N 0.690 115.113 114.554 -0.219 0.000 2.788 264 T HA -0.081 4.269 4.350 0.000 0.000 0.268 264 T C 2.537 177.130 174.700 -0.179 0.000 1.044 264 T CA 1.154 63.147 62.100 -0.179 0.000 1.139 264 T CB -0.169 68.727 68.868 0.046 0.000 0.867 264 T HN 0.081 nan 8.240 nan 0.000 0.454 265 V N 1.126 120.922 119.914 -0.196 0.000 2.307 265 V HA -0.105 4.015 4.120 0.000 0.000 0.245 265 V C 2.642 178.547 176.094 -0.315 0.000 1.045 265 V CA 1.214 63.374 62.300 -0.233 0.000 1.024 265 V CB -0.578 31.018 31.823 -0.378 0.000 0.651 265 V HN 0.308 nan 8.190 nan 0.000 0.449 266 V N -0.131 119.553 119.914 -0.382 0.000 2.515 266 V HA -0.162 3.958 4.120 0.000 0.000 0.250 266 V C 2.392 178.302 176.094 -0.307 0.000 1.058 266 V CA 1.671 63.756 62.300 -0.358 0.000 1.064 266 V CB -0.767 30.841 31.823 -0.358 0.000 0.675 266 V HN 0.462 nan 8.190 nan 0.000 0.461 267 R N -0.090 120.165 120.500 -0.408 0.000 2.299 267 R HA 0.075 4.415 4.340 0.000 0.000 0.197 267 R C 0.534 176.660 176.300 -0.291 0.000 0.971 267 R CA 0.032 55.828 56.100 -0.507 0.000 1.030 267 R CB -0.059 29.522 30.300 -1.198 0.000 0.932 267 R HN 0.413 nan 8.270 nan 0.000 0.477 268 K N -0.234 120.055 120.400 -0.186 0.000 3.096 268 K HA -0.161 4.159 4.320 0.000 0.000 0.266 268 K C -1.079 175.662 176.600 0.235 0.000 1.043 268 K CA 0.451 56.735 56.287 -0.005 0.000 0.758 268 K CB -0.951 31.548 32.500 -0.003 0.000 1.260 268 K HN 0.134 nan 8.250 nan 0.000 0.481 269 W N 0.065 121.355 121.300 -0.017 0.000 2.509 269 W HA 0.314 4.975 4.660 0.001 0.000 0.351 269 W C 1.275 177.806 176.519 0.020 0.000 1.107 269 W CA -0.990 56.357 57.345 0.002 0.000 1.264 269 W CB 0.965 30.429 29.460 0.008 0.000 1.312 269 W HN 0.189 nan 8.180 nan 0.000 0.608 270 S N 0.404 116.248 115.700 0.242 0.000 3.476 270 S HA -0.123 4.347 4.470 0.000 0.000 0.309 270 S C 1.005 175.684 174.600 0.132 0.000 1.222 270 S CA 1.867 60.157 58.200 0.151 0.000 0.922 270 S CB -1.560 61.738 63.200 0.164 0.000 1.023 270 S HN 1.697 nan 8.310 nan 0.000 0.591 271 G N -0.382 108.494 108.800 0.127 0.000 2.159 271 G HA2 -0.280 3.681 3.960 0.000 0.000 0.256 271 G HA3 -0.280 3.681 3.960 0.000 0.000 0.256 271 G C -0.265 174.726 174.900 0.152 0.000 0.977 271 G CA 0.370 45.542 45.100 0.120 0.000 0.652 271 G HN 0.587 nan 8.290 nan 0.000 0.531 272 E N 0.521 120.807 120.200 0.143 0.000 2.390 272 E HA 0.571 4.922 4.350 0.000 0.000 0.261 272 E C 0.570 177.097 176.600 -0.122 0.000 1.076 272 E CA 0.296 56.779 56.400 0.137 0.000 0.905 272 E CB 0.888 30.684 29.700 0.159 0.000 0.984 272 E HN 0.553 nan 8.360 nan 0.000 0.427 273 K N 1.237 121.404 120.400 -0.389 0.000 2.512 273 K HA 0.345 4.665 4.320 0.000 0.000 0.263 273 K C 1.020 177.372 176.600 -0.414 0.000 0.966 273 K CA -0.664 55.315 56.287 -0.513 0.000 0.851 273 K CB 1.679 33.694 32.500 -0.809 0.000 1.395 273 K HN 0.236 nan 8.250 nan 0.000 0.440 274 M N 0.758 120.149 119.600 -0.350 0.000 2.296 274 M HA -0.132 4.348 4.480 0.000 0.000 0.265 274 M C 1.751 177.976 176.300 -0.126 0.000 1.064 274 M CA 1.635 56.733 55.300 -0.336 0.000 1.109 274 M CB -0.176 32.190 32.600 -0.390 0.000 1.396 274 M HN 0.724 nan 8.290 nan 0.000 0.430 275 S N -0.681 114.962 115.700 -0.096 0.000 2.474 275 S HA -0.130 4.340 4.470 0.000 0.000 0.235 275 S C 1.446 176.260 174.600 0.355 0.000 0.997 275 S CA 0.688 58.995 58.200 0.178 0.000 0.949 275 S CB -0.880 62.347 63.200 0.045 0.000 0.766 275 S HN 0.597 nan 8.310 nan 0.000 0.517 276 Y N 1.051 121.426 120.300 0.124 0.000 2.578 276 Y HA 0.279 4.829 4.550 0.001 0.000 0.297 276 Y C 1.401 177.455 175.900 0.257 0.000 1.176 276 Y CA -0.226 57.981 58.100 0.179 0.000 1.315 276 Y CB -0.179 38.425 38.460 0.239 0.000 1.031 276 Y HN 0.276 nan 8.280 nan 0.000 0.524 277 L N 0.418 121.738 121.223 0.161 0.000 2.627 277 L HA -0.018 4.322 4.340 0.000 0.000 0.232 277 L C 2.101 178.774 176.870 -0.329 0.000 1.150 277 L CA 0.339 55.093 54.840 -0.144 0.000 0.917 277 L CB -0.206 41.536 42.059 -0.528 0.000 1.104 277 L HN 0.155 nan 8.230 nan 0.000 0.445 278 K N 2.018 122.086 120.400 -0.554 0.000 2.147 278 K HA -0.162 4.158 4.320 0.000 0.000 0.205 278 K C 1.163 177.469 176.600 -0.490 0.000 1.049 278 K CA 1.685 57.295 56.287 -1.128 0.000 0.936 278 K CB 0.086 32.017 32.500 -0.949 0.000 0.722 278 K HN 0.607 nan 8.250 nan 0.000 0.446 279 N N -0.937 117.659 118.700 -0.174 0.000 2.328 279 N HA -0.017 4.723 4.740 0.000 0.000 0.247 279 N C -0.316 175.210 175.510 0.027 0.000 1.165 279 N CA -0.793 52.211 53.050 -0.077 0.000 0.873 279 N CB -0.006 38.460 38.487 -0.035 0.000 1.125 279 N HN 0.158 nan 8.380 nan 0.000 0.513 280 W N 1.888 122.956 121.300 -0.387 0.000 2.274 280 W HA 0.202 4.862 4.660 0.001 0.000 0.345 280 W C 0.643 176.853 176.519 -0.516 0.000 1.265 280 W CA 2.176 59.081 57.345 -0.733 0.000 1.293 280 W CB 0.584 29.510 29.460 -0.890 0.000 1.175 280 W HN 0.487 nan 8.180 nan 0.000 0.577 281 G N 3.311 111.369 108.800 -1.236 0.000 2.460 281 G HA2 -0.288 3.672 3.960 0.000 0.000 0.207 281 G HA3 -0.288 3.672 3.960 0.000 0.000 0.207 281 G C 0.482 174.951 174.900 -0.718 0.000 1.170 281 G CA 0.119 44.620 45.100 -1.000 0.000 1.151 281 G HN 0.545 nan 8.290 nan 0.000 0.575 282 E N 0.686 120.751 120.200 -0.225 0.000 2.204 282 E HA 0.007 4.357 4.350 0.000 0.000 0.195 282 E C 2.492 178.990 176.600 -0.170 0.000 0.990 282 E CA 1.032 57.382 56.400 -0.084 0.000 0.821 282 E CB -0.369 29.364 29.700 0.055 0.000 0.750 282 E HN 0.712 nan 8.360 nan 0.000 0.477 283 G N -0.047 108.648 108.800 -0.176 0.000 2.498 283 G HA2 -0.205 3.756 3.960 0.000 0.000 0.219 283 G HA3 -0.205 3.756 3.960 0.000 0.000 0.219 283 G C 0.541 175.323 174.900 -0.197 0.000 1.119 283 G CA 0.049 45.064 45.100 -0.141 0.000 0.766 283 G HN 0.253 nan 8.290 nan 0.000 0.552 284 W N -0.032 120.868 121.300 -0.667 0.000 3.330 284 W HA 0.438 5.097 4.660 -0.000 0.000 0.348 284 W C 1.571 177.642 176.519 -0.747 0.000 1.205 284 W CA -0.171 56.690 57.345 -0.807 0.000 1.841 284 W CB 0.222 28.919 29.460 -1.270 0.000 1.084 284 W HN 0.277 nan 8.180 nan 0.000 0.665 285 G N -0.490 108.115 108.800 -0.325 0.000 2.132 285 G HA2 -0.281 3.679 3.960 0.000 0.000 0.234 285 G HA3 -0.281 3.679 3.960 0.000 0.000 0.234 285 G C 0.155 175.131 174.900 0.127 0.000 0.989 285 G CA -0.594 44.446 45.100 -0.099 0.000 0.676 285 G HN 0.229 nan 8.290 nan 0.000 0.522 286 F N 0.858 120.770 119.950 -0.062 0.000 2.368 286 F HA 0.623 5.150 4.527 0.000 0.000 0.315 286 F C 1.690 177.554 175.800 0.107 0.000 1.145 286 F CA -1.095 56.889 58.000 -0.026 0.000 1.095 286 F CB 0.650 39.514 39.000 -0.227 0.000 1.286 286 F HN 0.228 nan 8.300 nan 0.000 0.530 287 M N 0.841 120.686 119.600 0.409 0.000 2.167 287 M HA 0.339 4.819 4.480 0.000 0.000 0.300 287 M C -2.701 173.774 176.300 0.291 0.000 1.171 287 M CA -1.475 54.054 55.300 0.382 0.000 1.171 287 M CB -0.635 32.254 32.600 0.481 0.000 1.396 287 M HN 0.093 nan 8.290 nan 0.000 0.466 288 P HA 0.004 nan 4.420 nan 0.000 0.267 288 P C 0.203 177.433 177.300 -0.116 0.000 1.200 288 P CA 0.105 63.199 63.100 -0.010 0.000 0.772 288 P CB 0.754 32.359 31.700 -0.158 0.000 0.855 289 S N 2.010 117.619 115.700 -0.152 0.000 2.383 289 S HA -0.167 4.303 4.470 0.000 0.000 0.229 289 S C 1.162 175.541 174.600 -0.368 0.000 1.030 289 S CA 1.717 59.642 58.200 -0.460 0.000 1.002 289 S CB -0.852 62.175 63.200 -0.289 0.000 0.829 289 S HN 0.599 nan 8.310 nan 0.000 0.467 290 D N -0.905 119.340 120.400 -0.257 0.000 2.324 290 D HA 0.022 4.662 4.640 0.000 0.000 0.235 290 D C 1.199 177.346 176.300 -0.255 0.000 1.095 290 D CA 0.031 53.896 54.000 -0.225 0.000 0.871 290 D CB 0.043 40.714 40.800 -0.215 0.000 0.906 290 D HN 0.296 nan 8.370 nan 0.000 0.522 291 R N -0.007 120.319 120.500 -0.291 0.000 2.517 291 R HA 0.301 4.641 4.340 0.000 0.000 0.265 291 R C 0.398 176.629 176.300 -0.114 0.000 0.921 291 R CA -0.121 55.809 56.100 -0.285 0.000 1.054 291 R CB 1.028 30.881 30.300 -0.744 0.000 1.340 291 R HN 0.118 nan 8.270 nan 0.000 0.551 292 A N 1.477 124.210 122.820 -0.145 0.000 2.304 292 A HA 0.590 4.910 4.320 0.000 0.000 0.301 292 A C -0.705 176.848 177.584 -0.052 0.000 1.132 292 A CA -0.412 51.572 52.037 -0.089 0.000 0.819 292 A CB 0.726 19.628 19.000 -0.163 0.000 1.094 292 A HN 0.172 nan 8.150 nan 0.000 0.492 293 L N 3.474 124.691 121.223 -0.010 0.000 2.343 293 L HA 0.655 4.995 4.340 0.000 0.000 0.278 293 L C -0.385 176.468 176.870 -0.027 0.000 0.996 293 L CA -0.489 54.356 54.840 0.008 0.000 0.831 293 L CB 1.660 43.691 42.059 -0.046 0.000 1.232 293 L HN 0.746 nan 8.230 nan 0.000 0.413 294 V N 2.202 122.027 119.914 -0.148 0.000 2.975 294 V HA 0.853 4.973 4.120 0.000 0.000 0.318 294 V C -0.602 175.403 176.094 -0.148 0.000 1.077 294 V CA -0.588 61.454 62.300 -0.430 0.000 1.000 294 V CB 1.611 32.867 31.823 -0.945 0.000 1.066 294 V HN 0.843 nan 8.190 nan 0.000 0.452 295 F N -1.064 118.725 119.950 -0.269 0.000 2.799 295 F HA 0.722 5.249 4.527 0.000 0.000 0.316 295 F C -0.045 175.808 175.800 0.088 0.000 1.155 295 F CA -0.817 57.131 58.000 -0.087 0.000 0.916 295 F CB 0.714 39.655 39.000 -0.099 0.000 1.294 295 F HN 0.252 nan 8.300 nan 0.000 0.447 296 V N -0.127 119.953 119.914 0.277 0.000 2.426 296 V HA 0.082 4.202 4.120 0.000 0.000 0.242 296 V C -0.059 176.229 176.094 0.324 0.000 1.036 296 V CA 1.811 64.253 62.300 0.238 0.000 1.044 296 V CB -0.464 31.459 31.823 0.167 0.000 0.688 296 V HN 0.899 nan 8.190 nan 0.000 0.462 297 D N -0.266 120.404 120.400 0.449 0.000 2.661 297 D HA 0.275 4.916 4.640 0.000 0.000 0.228 297 D C -1.043 175.455 176.300 0.331 0.000 1.210 297 D CA -0.626 53.615 54.000 0.400 0.000 0.826 297 D CB 1.720 42.701 40.800 0.301 0.000 1.542 297 D HN 0.261 nan 8.370 nan 0.000 0.447 298 N N -1.206 117.605 118.700 0.184 0.000 2.890 298 N HA 0.116 4.856 4.740 0.000 0.000 0.317 298 N C 1.282 176.710 175.510 -0.137 0.000 1.355 298 N CA -0.452 52.568 53.050 -0.051 0.000 0.803 298 N CB 0.236 38.551 38.487 -0.286 0.000 1.465 298 N HN 0.606 nan 8.380 nan 0.000 0.591 299 H N -1.413 117.492 119.070 -0.274 0.000 2.422 299 H HA -0.086 4.470 4.556 0.001 0.000 0.298 299 H C 0.365 175.333 175.328 -0.600 0.000 1.098 299 H CA 1.826 57.455 56.048 -0.699 0.000 1.315 299 H CB -0.130 28.884 29.762 -1.247 0.000 1.382 299 H HN 0.724 nan 8.280 nan 0.000 0.523 300 D N 1.506 121.382 120.400 -0.873 0.000 2.146 300 D HA -0.152 4.488 4.640 0.000 0.000 0.209 300 D C 2.004 178.194 176.300 -0.183 0.000 0.973 300 D CA 1.177 54.885 54.000 -0.486 0.000 0.860 300 D CB -0.019 40.548 40.800 -0.387 0.000 1.015 300 D HN 0.472 nan 8.370 nan 0.000 0.465 301 N N 0.424 119.083 118.700 -0.069 0.000 2.550 301 N HA -0.186 4.555 4.740 0.000 0.000 0.186 301 N C 1.436 176.977 175.510 0.053 0.000 1.110 301 N CA 0.952 54.025 53.050 0.040 0.000 0.912 301 N CB -0.670 37.906 38.487 0.148 0.000 0.968 301 N HN 0.511 nan 8.380 nan 0.000 0.448 302 Q N 0.642 120.458 119.800 0.027 0.000 2.245 302 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 302 Q C 1.307 177.413 176.000 0.177 0.000 0.955 302 Q CA 0.634 56.496 55.803 0.099 0.000 0.870 302 Q CB -0.142 28.657 28.738 0.103 0.000 0.945 302 Q HN 0.571 nan 8.270 nan 0.000 0.461 303 R N -0.183 120.356 120.500 0.065 0.000 2.696 303 R HA 0.526 4.866 4.340 0.000 0.000 0.355 303 R C -0.033 176.310 176.300 0.071 0.000 1.138 303 R CA 0.162 56.335 56.100 0.122 0.000 1.059 303 R CB 0.866 30.948 30.300 -0.364 0.000 1.380 303 R HN 0.236 nan 8.270 nan 0.000 0.578 304 G N 0.079 108.884 108.800 0.008 0.000 2.485 304 G HA2 0.085 4.046 3.960 0.000 0.000 0.182 304 G HA3 0.085 4.046 3.960 0.000 0.000 0.182 304 G C -1.227 173.508 174.900 -0.274 0.000 1.172 304 G CA -0.703 44.336 45.100 -0.102 0.000 0.996 304 G HN 0.288 nan 8.290 nan 0.000 0.496 305 H N 1.076 120.202 119.070 0.094 0.000 2.474 305 H HA 0.434 4.990 4.556 -0.000 0.000 0.250 305 H C 1.144 176.491 175.328 0.032 0.000 1.307 305 H CA 0.240 56.331 56.048 0.072 0.000 1.058 305 H CB 0.441 30.240 29.762 0.062 0.000 1.693 305 H HN 0.648 nan 8.280 nan 0.000 0.552 306 G N 0.664 109.511 108.800 0.079 0.000 2.803 306 G HA2 0.302 4.262 3.960 0.000 0.000 0.177 306 G HA3 0.302 4.262 3.960 0.000 0.000 0.177 306 G C 0.056 174.952 174.900 -0.006 0.000 1.629 306 G CA -0.016 45.093 45.100 0.015 0.000 1.077 306 G HN 0.435 nan 8.290 nan 0.000 0.556 307 A N -1.527 121.255 122.820 -0.064 0.000 2.354 307 A HA 0.559 4.880 4.320 0.000 0.000 0.281 307 A C 1.162 178.804 177.584 0.097 0.000 1.174 307 A CA 0.950 52.946 52.037 -0.068 0.000 0.828 307 A CB -0.186 18.616 19.000 -0.331 0.000 1.099 307 A HN 2.304 nan 8.150 nan 0.000 0.516 308 G N 1.581 110.435 108.800 0.090 0.000 2.307 308 G HA2 0.199 4.159 3.960 0.000 0.000 0.210 308 G HA3 0.199 4.159 3.960 0.000 0.000 0.210 308 G C 1.689 176.668 174.900 0.131 0.000 1.005 308 G CA 0.748 45.921 45.100 0.121 0.000 0.634 308 G HN 2.807 nan 8.290 nan 0.000 0.496 309 G N 0.430 109.312 108.800 0.137 0.000 2.556 309 G HA2 0.108 4.068 3.960 0.000 0.000 0.283 309 G HA3 0.108 4.068 3.960 0.000 0.000 0.283 309 G C 1.522 176.530 174.900 0.181 0.000 1.177 309 G CA 2.484 47.696 45.100 0.187 0.000 0.978 309 G HN 1.979 nan 8.290 nan 0.000 0.554 310 A N -0.290 122.677 122.820 0.246 0.000 2.066 310 A HA 0.269 4.589 4.320 0.000 0.000 0.218 310 A C 2.675 180.392 177.584 0.220 0.000 1.157 310 A CA 2.942 55.145 52.037 0.276 0.000 0.670 310 A CB -0.702 18.531 19.000 0.389 0.000 0.804 310 A HN 2.073 nan 8.150 nan 0.000 0.453 311 S N -0.248 115.551 115.700 0.166 0.000 2.481 311 S HA 0.071 4.541 4.470 0.000 0.000 0.231 311 S C 0.752 175.284 174.600 -0.114 0.000 0.996 311 S CA -0.009 58.121 58.200 -0.116 0.000 0.942 311 S CB -0.478 62.715 63.200 -0.013 0.000 0.768 311 S HN 0.306 nan 8.310 nan 0.000 0.520 312 I N 2.810 123.388 120.570 0.012 0.000 2.598 312 I HA 0.167 4.337 4.170 0.000 0.000 0.284 312 I C 0.305 176.447 176.117 0.042 0.000 1.140 312 I CA -0.221 61.109 61.300 0.051 0.000 1.420 312 I CB -0.178 37.887 38.000 0.108 0.000 1.387 312 I HN 0.289 nan 8.210 nan 0.000 0.553 313 L N 6.958 128.230 121.223 0.081 0.000 2.334 313 L HA 0.411 4.751 4.340 0.000 0.000 0.277 313 L C 0.696 177.677 176.870 0.184 0.000 1.075 313 L CA -0.164 54.758 54.840 0.138 0.000 0.804 313 L CB 1.488 43.667 42.059 0.201 0.000 1.174 313 L HN 0.766 nan 8.230 nan 0.000 0.438 314 T N -1.862 112.675 114.554 -0.029 0.000 2.804 314 T HA 0.339 4.689 4.350 0.000 0.000 0.290 314 T C 0.711 174.978 174.700 -0.721 0.000 1.099 314 T CA -0.640 61.220 62.100 -0.400 0.000 1.011 314 T CB 0.777 69.530 68.868 -0.193 0.000 1.291 314 T HN 0.408 nan 8.240 nan 0.000 0.523 315 F N -1.413 118.085 119.950 -0.753 0.000 2.408 315 F HA 0.220 4.747 4.527 0.001 0.000 0.300 315 F C 1.490 177.193 175.800 -0.162 0.000 1.090 315 F CA -0.218 57.498 58.000 -0.472 0.000 1.427 315 F CB -0.918 37.823 39.000 -0.431 0.000 1.070 315 F HN 0.530 nan 8.300 nan 0.000 0.549 316 W N 1.270 122.170 121.300 -0.666 0.000 2.525 316 W HA -0.025 4.635 4.660 0.001 0.000 0.259 316 W C 0.537 176.982 176.519 -0.125 0.000 1.253 316 W CA 0.559 57.670 57.345 -0.390 0.000 1.262 316 W CB -0.045 29.118 29.460 -0.494 0.000 1.122 316 W HN -0.046 nan 8.180 nan 0.000 0.607 317 D N -0.352 120.119 120.400 0.119 0.000 3.018 317 D HA 0.248 4.888 4.640 0.000 0.000 0.331 317 D C 1.391 177.822 176.300 0.219 0.000 1.334 317 D CA 0.122 54.206 54.000 0.140 0.000 0.900 317 D CB 0.382 41.241 40.800 0.098 0.000 1.059 317 D HN -0.023 nan 8.370 nan 0.000 0.498 318 A N 1.143 124.119 122.820 0.260 0.000 1.881 318 A HA -0.308 4.012 4.320 0.000 0.000 0.219 318 A C 2.173 179.960 177.584 0.337 0.000 1.215 318 A CA 1.653 53.918 52.037 0.381 0.000 0.648 318 A CB -0.366 18.768 19.000 0.222 0.000 0.832 318 A HN 0.339 nan 8.150 nan 0.000 0.455 319 R N -1.184 119.437 120.500 0.201 0.000 2.096 319 R HA -0.140 4.200 4.340 0.000 0.000 0.240 319 R C 1.880 178.283 176.300 0.171 0.000 1.139 319 R CA 1.766 57.968 56.100 0.170 0.000 0.952 319 R CB -0.290 30.075 30.300 0.108 0.000 0.854 319 R HN 0.433 nan 8.270 nan 0.000 0.436 320 L N -0.423 120.883 121.223 0.139 0.000 2.240 320 L HA -0.119 4.221 4.340 0.000 0.000 0.211 320 L C 2.046 178.984 176.870 0.113 0.000 1.106 320 L CA 1.320 56.203 54.840 0.071 0.000 0.793 320 L CB -1.354 40.712 42.059 0.011 0.000 0.927 320 L HN 0.253 nan 8.230 nan 0.000 0.446 321 Y N 1.269 121.625 120.300 0.094 0.000 2.181 321 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 321 Y C 2.506 178.499 175.900 0.155 0.000 1.146 321 Y CA 1.650 59.825 58.100 0.126 0.000 1.164 321 Y CB 0.020 38.605 38.460 0.209 0.000 0.982 321 Y HN 0.101 nan 8.280 nan 0.000 0.515 322 K N -0.488 120.052 120.400 0.233 0.000 2.148 322 K HA -0.119 4.202 4.320 0.000 0.000 0.204 322 K C 1.941 178.532 176.600 -0.015 0.000 1.050 322 K CA 1.165 57.578 56.287 0.211 0.000 0.942 322 K CB -0.089 32.679 32.500 0.446 0.000 0.724 322 K HN 0.267 nan 8.250 nan 0.000 0.446 323 I N 1.307 121.796 120.570 -0.135 0.000 2.179 323 I HA -0.252 3.918 4.170 0.000 0.000 0.242 323 I C 2.491 178.422 176.117 -0.310 0.000 1.088 323 I CA 1.392 62.436 61.300 -0.426 0.000 1.357 323 I CB -1.204 36.652 38.000 -0.241 0.000 1.051 323 I HN 0.117 nan 8.210 nan 0.000 0.409 324 A N 0.556 123.233 122.820 -0.238 0.000 1.877 324 A HA -0.144 4.176 4.320 0.000 0.000 0.216 324 A C 2.489 179.997 177.584 -0.127 0.000 1.186 324 A CA 1.823 53.728 52.037 -0.221 0.000 0.620 324 A CB -1.001 17.881 19.000 -0.197 0.000 0.822 324 A HN 0.249 nan 8.150 nan 0.000 0.443 325 V N -0.002 119.793 119.914 -0.198 0.000 2.490 325 V HA -0.163 3.957 4.120 0.000 0.000 0.250 325 V C 2.764 178.852 176.094 -0.010 0.000 1.061 325 V CA 1.820 64.040 62.300 -0.133 0.000 1.064 325 V CB -1.390 30.278 31.823 -0.258 0.000 0.670 325 V HN 0.628 nan 8.190 nan 0.000 0.461 326 G N -0.920 107.875 108.800 -0.007 0.000 2.418 326 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 326 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 326 G C 1.561 176.546 174.900 0.142 0.000 1.158 326 G CA 0.912 46.048 45.100 0.060 0.000 0.771 326 G HN 0.491 nan 8.290 nan 0.000 0.545 327 F N 0.746 120.721 119.950 0.041 0.000 2.186 327 F HA 0.091 4.618 4.527 0.001 0.000 0.299 327 F C 2.592 178.480 175.800 0.147 0.000 1.090 327 F CA 1.763 59.801 58.000 0.063 0.000 1.307 327 F CB -0.026 38.722 39.000 -0.420 0.000 1.019 327 F HN 0.144 nan 8.300 nan 0.000 0.489 328 M N -0.640 119.088 119.600 0.214 0.000 2.132 328 M HA -0.165 4.315 4.480 0.000 0.000 0.263 328 M C 1.628 178.022 176.300 0.157 0.000 1.065 328 M CA 1.546 57.018 55.300 0.287 0.000 1.122 328 M CB -0.226 32.554 32.600 0.301 0.000 1.365 328 M HN 0.186 nan 8.290 nan 0.000 0.411 329 L N 0.419 121.687 121.223 0.075 0.000 2.291 329 L HA 0.017 4.357 4.340 0.000 0.000 0.214 329 L C 2.586 179.497 176.870 0.067 0.000 1.120 329 L CA 1.674 56.535 54.840 0.035 0.000 0.799 329 L CB -1.558 40.504 42.059 0.005 0.000 0.925 329 L HN 0.385 nan 8.230 nan 0.000 0.446 330 A N -2.748 120.094 122.820 0.038 0.000 1.997 330 A HA -0.050 4.271 4.320 0.000 0.000 0.212 330 A C 1.278 179.073 177.584 0.352 0.000 1.178 330 A CA 0.074 52.172 52.037 0.101 0.000 0.698 330 A CB -0.454 18.414 19.000 -0.220 0.000 0.842 330 A HN 0.357 nan 8.150 nan 0.000 0.458 331 H N 1.057 120.226 119.070 0.164 0.000 2.764 331 H HA 0.129 4.685 4.556 0.001 0.000 0.341 331 H C -1.556 173.884 175.328 0.186 0.000 1.072 331 H CA -1.036 55.104 56.048 0.153 0.000 1.444 331 H CB 1.416 31.142 29.762 -0.060 0.000 1.458 331 H HN 0.130 nan 8.280 nan 0.000 0.572 332 P HA -0.155 nan 4.420 nan 0.000 0.226 332 P C 0.282 177.607 177.300 0.042 0.000 1.153 332 P CA 0.627 63.700 63.100 -0.045 0.000 0.777 332 P CB -0.107 31.537 31.700 -0.094 0.000 0.794 333 Y N 2.329 122.685 120.300 0.093 0.000 2.620 333 Y HA 0.295 4.846 4.550 0.001 0.000 0.330 333 Y C 1.307 177.232 175.900 0.042 0.000 1.186 333 Y CA 1.373 59.556 58.100 0.139 0.000 1.467 333 Y CB -0.344 38.299 38.460 0.304 0.000 1.262 333 Y HN 0.310 nan 8.280 nan 0.000 0.550 334 G N 4.680 113.080 108.800 -0.667 0.000 2.894 334 G HA2 -0.327 3.633 3.960 0.000 0.000 0.247 334 G HA3 -0.327 3.633 3.960 0.000 0.000 0.247 334 G C -1.242 173.555 174.900 -0.171 0.000 1.442 334 G CA -0.200 44.611 45.100 -0.481 0.000 0.897 334 G HN 0.942 nan 8.290 nan 0.000 0.550 335 F N 1.950 121.764 119.950 -0.227 0.000 2.404 335 F HA 0.617 5.145 4.527 0.001 0.000 0.354 335 F C 1.231 176.930 175.800 -0.168 0.000 1.122 335 F CA 0.088 57.985 58.000 -0.173 0.000 1.080 335 F CB 1.321 40.227 39.000 -0.157 0.000 1.131 335 F HN 0.830 nan 8.300 nan 0.000 0.471 336 T N 4.119 118.254 114.554 -0.698 0.000 2.856 336 T HA 0.388 4.738 4.350 0.000 0.000 0.292 336 T C -0.337 174.142 174.700 -0.368 0.000 0.980 336 T CA -0.849 60.990 62.100 -0.434 0.000 1.091 336 T CB 1.289 69.967 68.868 -0.317 0.000 0.936 336 T HN 0.805 nan 8.240 nan 0.000 0.503 337 R N 2.404 122.829 120.500 -0.125 0.000 2.480 337 R HA 0.594 4.934 4.340 0.000 0.000 0.306 337 R C -1.415 174.911 176.300 0.043 0.000 0.958 337 R CA -0.721 55.353 56.100 -0.042 0.000 0.861 337 R CB 1.474 31.740 30.300 -0.056 0.000 1.171 337 R HN 0.616 nan 8.270 nan 0.000 0.445 338 V N 5.020 124.977 119.914 0.071 0.000 2.617 338 V HA 0.387 4.507 4.120 0.000 0.000 0.298 338 V C 0.199 176.375 176.094 0.137 0.000 1.048 338 V CA -0.752 61.621 62.300 0.122 0.000 0.964 338 V CB 1.554 33.485 31.823 0.179 0.000 1.004 338 V HN 0.799 nan 8.190 nan 0.000 0.466 339 M N 3.137 122.836 119.600 0.166 0.000 2.423 339 M HA 0.598 5.078 4.480 0.000 0.000 0.335 339 M C -0.320 176.031 176.300 0.085 0.000 1.177 339 M CA 0.483 55.870 55.300 0.144 0.000 1.038 339 M CB 1.722 34.440 32.600 0.195 0.000 1.641 339 M HN 0.646 nan 8.290 nan 0.000 0.455 340 S N 2.249 117.960 115.700 0.018 0.000 2.677 340 S HA 0.838 5.309 4.470 0.000 0.000 0.283 340 S C -1.265 173.396 174.600 0.103 0.000 1.159 340 S CA -0.491 57.724 58.200 0.025 0.000 1.001 340 S CB 0.637 63.743 63.200 -0.157 0.000 1.032 340 S HN 0.900 nan 8.310 nan 0.000 0.487 341 S N 3.258 119.020 115.700 0.105 0.000 2.900 341 S HA 0.857 5.328 4.470 0.000 0.000 0.320 341 S C -1.304 173.421 174.600 0.209 0.000 1.130 341 S CA -0.845 57.458 58.200 0.171 0.000 0.863 341 S CB 0.647 63.870 63.200 0.038 0.000 1.295 341 S HN 0.877 nan 8.310 nan 0.000 0.596 342 Y N -0.772 119.626 120.300 0.163 0.000 2.536 342 Y HA 0.784 5.334 4.550 0.000 0.000 0.347 342 Y C -0.341 175.611 175.900 0.085 0.000 1.000 342 Y CA -1.324 56.759 58.100 -0.028 0.000 1.051 342 Y CB 1.066 39.363 38.460 -0.271 0.000 1.259 342 Y HN 0.787 nan 8.280 nan 0.000 0.468 343 R N 2.288 122.871 120.500 0.137 0.000 2.410 343 R HA 0.494 4.834 4.340 0.000 0.000 0.288 343 R C -1.627 174.972 176.300 0.498 0.000 1.051 343 R CA -0.435 55.797 56.100 0.219 0.000 1.021 343 R CB 0.788 31.066 30.300 -0.036 0.000 1.032 343 R HN 0.967 nan 8.270 nan 0.000 0.481 344 W N 1.705 123.226 121.300 0.368 0.000 3.029 344 W HA 0.645 5.306 4.660 0.002 0.000 0.339 344 W C -1.710 174.958 176.519 0.250 0.000 1.198 344 W CA -1.217 56.278 57.345 0.250 0.000 1.148 344 W CB 0.827 30.411 29.460 0.207 0.000 1.451 344 W HN 0.596 nan 8.180 nan 0.000 0.564 345 A N 3.526 126.436 122.820 0.151 0.000 2.376 345 A HA 0.481 4.801 4.320 0.000 0.000 0.298 345 A C 0.120 177.653 177.584 -0.085 0.000 1.271 345 A CA -0.654 51.380 52.037 -0.005 0.000 0.926 345 A CB -0.174 18.849 19.000 0.037 0.000 1.141 345 A HN 0.628 nan 8.150 nan 0.000 0.539 346 R N 2.037 122.331 120.500 -0.343 0.000 2.539 346 R HA 0.279 4.619 4.340 0.000 0.000 0.275 346 R C -0.596 175.539 176.300 -0.275 0.000 1.077 346 R CA -0.367 55.489 56.100 -0.406 0.000 1.097 346 R CB 0.587 30.441 30.300 -0.745 0.000 1.018 346 R HN 0.681 nan 8.270 nan 0.000 0.483 347 N N 2.552 121.069 118.700 -0.305 0.000 2.607 347 N HA 0.152 4.892 4.740 0.000 0.000 0.271 347 N C -1.716 173.691 175.510 -0.172 0.000 1.142 347 N CA -0.404 52.568 53.050 -0.129 0.000 0.810 347 N CB 0.493 38.971 38.487 -0.015 0.000 1.306 347 N HN 0.333 nan 8.380 nan 0.000 0.536 348 F N 2.265 122.215 119.950 0.000 0.000 2.444 348 F HA 0.251 4.779 4.527 0.002 0.000 0.360 348 F C 0.885 176.707 175.800 0.036 0.000 1.106 348 F CA -0.597 57.416 58.000 0.021 0.000 1.170 348 F CB 0.885 39.877 39.000 -0.014 0.000 1.113 348 F HN 0.136 nan 8.300 nan 0.000 0.521 349 V N 2.107 122.141 119.914 0.200 0.000 2.409 349 V HA 0.444 4.564 4.120 0.000 0.000 0.291 349 V C 0.077 176.258 176.094 0.145 0.000 1.020 349 V CA -1.024 61.361 62.300 0.143 0.000 0.848 349 V CB 1.055 32.939 31.823 0.102 0.000 0.990 349 V HN 0.929 nan 8.190 nan 0.000 0.430 350 N N 4.267 123.034 118.700 0.113 0.000 2.727 350 N HA -0.189 4.551 4.740 0.000 0.000 0.249 350 N C 1.079 176.661 175.510 0.120 0.000 1.048 350 N CA 0.668 53.770 53.050 0.088 0.000 0.714 350 N CB -1.208 37.316 38.487 0.061 0.000 0.959 350 N HN 1.925 nan 8.380 nan 0.000 0.544 351 G N -0.333 108.568 108.800 0.169 0.000 2.184 351 G HA2 -0.360 3.600 3.960 0.000 0.000 0.264 351 G HA3 -0.360 3.600 3.960 0.000 0.000 0.264 351 G C -0.184 174.980 174.900 0.439 0.000 0.975 351 G CA 0.958 46.188 45.100 0.218 0.000 0.642 351 G HN 0.802 nan 8.290 nan 0.000 0.536 352 E N 0.213 120.670 120.200 0.428 0.000 2.238 352 E HA 0.559 4.909 4.350 0.000 0.000 0.267 352 E C -1.416 175.314 176.600 0.217 0.000 0.887 352 E CA -1.106 55.587 56.400 0.489 0.000 0.769 352 E CB 1.919 31.856 29.700 0.394 0.000 1.187 352 E HN 0.009 nan 8.360 nan 0.000 0.416 353 D N 2.749 123.140 120.400 -0.016 0.000 2.325 353 D HA 0.032 4.672 4.640 0.000 0.000 0.251 353 D C 0.782 177.074 176.300 -0.013 0.000 1.196 353 D CA -0.605 53.199 54.000 -0.327 0.000 0.866 353 D CB 1.630 42.133 40.800 -0.494 0.000 1.101 353 D HN 0.389 nan 8.370 nan 0.000 0.476 354 V N 1.452 121.381 119.914 0.026 0.000 3.649 354 V HA 0.220 4.340 4.120 0.000 0.000 0.275 354 V C 0.598 176.841 176.094 0.249 0.000 1.281 354 V CA 0.154 62.552 62.300 0.162 0.000 1.143 354 V CB -0.464 31.454 31.823 0.159 0.000 0.892 354 V HN 0.315 nan 8.190 nan 0.000 0.441 355 N N 1.913 120.677 118.700 0.107 0.000 2.273 355 N HA 0.081 4.821 4.740 0.000 0.000 0.231 355 N C 0.917 176.330 175.510 -0.162 0.000 1.134 355 N CA 0.684 53.694 53.050 -0.068 0.000 0.856 355 N CB 0.134 38.606 38.487 -0.025 0.000 1.068 355 N HN 0.762 nan 8.380 nan 0.000 0.510 356 D N -0.518 119.921 120.400 0.065 0.000 2.378 356 D HA -0.131 4.509 4.640 0.000 0.000 0.227 356 D C 1.468 177.935 176.300 0.279 0.000 1.012 356 D CA 0.070 54.102 54.000 0.054 0.000 0.905 356 D CB -0.511 40.396 40.800 0.178 0.000 0.895 356 D HN 0.507 nan 8.370 nan 0.000 0.532 357 W N 0.754 122.251 121.300 0.328 0.000 2.737 357 W HA 0.259 4.919 4.660 0.000 0.000 0.262 357 W C 0.379 177.027 176.519 0.215 0.000 1.282 357 W CA -0.761 56.799 57.345 0.358 0.000 1.386 357 W CB -0.704 28.948 29.460 0.320 0.000 1.099 357 W HN -0.233 nan 8.180 nan 0.000 0.621 358 I N 2.934 123.154 120.570 -0.582 0.000 2.996 358 I HA -0.068 4.102 4.170 0.000 0.000 0.310 358 I C 1.487 177.646 176.117 0.070 0.000 1.225 358 I CA 0.986 61.972 61.300 -0.522 0.000 1.442 358 I CB -0.091 37.598 38.000 -0.517 0.000 1.334 358 I HN -0.073 nan 8.210 nan 0.000 0.550 359 G N 7.979 116.809 108.800 0.050 0.000 2.563 359 G HA2 0.422 4.382 3.960 0.000 0.000 0.283 359 G HA3 0.422 4.382 3.960 0.000 0.000 0.283 359 G C -2.461 172.167 174.900 -0.453 0.000 1.309 359 G CA -0.931 44.169 45.100 -0.000 0.000 1.022 359 G HN 0.432 nan 8.290 nan 0.000 0.501 360 P HA 0.190 nan 4.420 nan 0.000 0.270 360 P C -2.673 174.149 177.300 -0.796 0.000 1.223 360 P CA -1.049 61.220 63.100 -1.384 0.000 0.785 360 P CB 0.069 31.261 31.700 -0.846 0.000 0.923 361 P HA 0.033 nan 4.420 nan 0.000 0.262 361 P C -0.364 176.742 177.300 -0.323 0.000 1.182 361 P CA 0.811 63.583 63.100 -0.547 0.000 0.761 361 P CB -0.201 31.054 31.700 -0.742 0.000 0.795 362 N N 1.017 119.596 118.700 -0.202 0.000 2.610 362 N HA 0.404 5.145 4.740 0.000 0.000 0.264 362 N C -1.528 173.933 175.510 -0.082 0.000 1.348 362 N CA -1.068 51.908 53.050 -0.123 0.000 0.819 362 N CB 1.158 39.575 38.487 -0.118 0.000 1.521 362 N HN 0.030 nan 8.380 nan 0.000 0.497 363 N N 0.353 119.018 118.700 -0.058 0.000 2.626 363 N HA 0.353 5.093 4.740 0.000 0.000 0.249 363 N C -1.112 174.377 175.510 -0.035 0.000 1.021 363 N CA -0.431 52.594 53.050 -0.041 0.000 0.886 363 N CB 0.103 38.570 38.487 -0.034 0.000 1.149 363 N HN 0.653 nan 8.380 nan 0.000 0.517 364 N N 2.917 121.598 118.700 -0.030 0.000 2.740 364 N HA -0.196 4.545 4.740 0.000 0.000 0.248 364 N C 0.797 176.288 175.510 -0.032 0.000 1.062 364 N CA 1.520 54.555 53.050 -0.025 0.000 0.704 364 N CB -1.210 37.265 38.487 -0.020 0.000 0.968 364 N HN 0.976 nan 8.380 nan 0.000 0.547 365 G N -2.363 106.413 108.800 -0.041 0.000 2.284 365 G HA2 -0.297 3.663 3.960 0.000 0.000 0.230 365 G HA3 -0.297 3.663 3.960 0.000 0.000 0.230 365 G C 0.096 174.960 174.900 -0.060 0.000 1.021 365 G CA 0.538 45.608 45.100 -0.050 0.000 0.619 365 G HN 1.276 nan 8.290 nan 0.000 0.510 366 V N 0.900 120.782 119.914 -0.054 0.000 2.461 366 V HA 0.712 4.832 4.120 0.000 0.000 0.275 366 V C 0.957 177.014 176.094 -0.061 0.000 1.047 366 V CA -1.273 60.992 62.300 -0.057 0.000 0.955 366 V CB 1.023 32.818 31.823 -0.046 0.000 0.988 366 V HN 0.406 nan 8.190 nan 0.000 0.471 367 I N 4.676 125.206 120.570 -0.067 0.000 2.668 367 I HA 0.118 4.289 4.170 0.000 0.000 0.285 367 I C 1.061 177.180 176.117 0.002 0.000 1.168 367 I CA 0.189 61.465 61.300 -0.040 0.000 1.424 367 I CB 0.091 38.077 38.000 -0.024 0.000 1.377 367 I HN 0.707 nan 8.210 nan 0.000 0.560 368 K N 6.208 126.630 120.400 0.037 0.000 2.319 368 K HA 0.068 4.388 4.320 0.000 0.000 0.265 368 K C 0.364 177.049 176.600 0.143 0.000 1.000 368 K CA -0.318 56.010 56.287 0.069 0.000 0.943 368 K CB 0.545 33.073 32.500 0.047 0.000 0.950 368 K HN 0.624 nan 8.250 nan 0.000 0.485 369 E N 0.231 120.450 120.200 0.032 0.000 2.342 369 E HA 0.170 4.521 4.350 0.000 0.000 0.257 369 E C -0.824 175.680 176.600 -0.159 0.000 1.150 369 E CA -0.840 55.494 56.400 -0.111 0.000 0.926 369 E CB 0.745 30.378 29.700 -0.112 0.000 1.074 369 E HN 0.062 nan 8.360 nan 0.000 0.449 370 V N 2.144 121.745 119.914 -0.520 0.000 2.348 370 V HA 0.179 4.300 4.120 0.000 0.000 0.270 370 V C 0.249 176.164 176.094 -0.299 0.000 1.037 370 V CA -0.402 61.495 62.300 -0.671 0.000 0.872 370 V CB 0.416 31.448 31.823 -1.318 0.000 1.002 370 V HN 0.809 nan 8.190 nan 0.000 0.464 371 T N 3.942 118.422 114.554 -0.124 0.000 2.907 371 T HA 0.681 5.031 4.350 0.000 0.000 0.284 371 T C -0.459 174.209 174.700 -0.054 0.000 1.004 371 T CA -0.711 61.349 62.100 -0.067 0.000 1.063 371 T CB 1.462 70.319 68.868 -0.018 0.000 0.992 371 T HN 0.222 nan 8.240 nan 0.000 0.483 372 I N 2.874 123.418 120.570 -0.043 0.000 2.354 372 I HA 0.348 4.518 4.170 0.000 0.000 0.292 372 I C 0.435 176.546 176.117 -0.010 0.000 0.989 372 I CA -0.963 60.320 61.300 -0.029 0.000 1.188 372 I CB 0.932 38.916 38.000 -0.027 0.000 1.342 372 I HN 0.801 nan 8.210 nan 0.000 0.457 373 N N 3.147 121.846 118.700 -0.002 0.000 2.434 373 N HA 0.393 5.133 4.740 0.000 0.000 0.266 373 N C 1.217 176.731 175.510 0.006 0.000 1.223 373 N CA -0.395 52.657 53.050 0.004 0.000 0.972 373 N CB 1.173 39.664 38.487 0.008 0.000 1.207 373 N HN 0.691 nan 8.380 nan 0.000 0.525 374 A N 0.687 123.511 122.820 0.007 0.000 1.986 374 A HA -0.202 4.118 4.320 0.000 0.000 0.220 374 A C 1.077 178.670 177.584 0.014 0.000 1.171 374 A CA 1.801 53.844 52.037 0.010 0.000 0.640 374 A CB -0.531 18.473 19.000 0.007 0.000 0.811 374 A HN 0.855 nan 8.150 nan 0.000 0.451 375 D N -0.909 119.499 120.400 0.013 0.000 2.538 375 D HA 0.042 4.682 4.640 0.000 0.000 0.234 375 D C 0.766 177.081 176.300 0.025 0.000 1.191 375 D CA 0.938 54.948 54.000 0.017 0.000 0.828 375 D CB -1.381 39.423 40.800 0.007 0.000 0.981 375 D HN 0.622 nan 8.370 nan 0.000 0.490 376 T N -3.552 111.017 114.554 0.025 0.000 6.500 376 T HA -0.292 4.058 4.350 0.000 0.000 0.302 376 T C 0.559 175.255 174.700 -0.006 0.000 1.706 376 T CA 1.688 63.799 62.100 0.019 0.000 2.745 376 T CB -3.036 65.868 68.868 0.059 0.000 2.168 376 T HN 0.587 nan 8.240 nan 0.000 1.110 377 T N -1.804 112.758 114.554 0.013 0.000 2.814 377 T HA 0.682 5.033 4.350 0.000 0.000 0.284 377 T C 0.703 175.415 174.700 0.021 0.000 0.998 377 T CA -0.345 61.776 62.100 0.034 0.000 0.935 377 T CB 1.476 70.371 68.868 0.046 0.000 1.167 377 T HN 0.594 nan 8.240 nan 0.000 0.545 378 c N -0.046 118.588 118.600 0.056 0.000 2.529 378 c HA 0.918 5.488 4.570 0.000 0.000 0.329 378 c C 1.140 175.279 174.090 0.082 0.000 1.194 378 c CA -0.473 55.892 56.329 0.060 0.000 1.779 378 c CB 0.987 43.559 42.510 0.104 0.000 2.322 378 c HN 1.211 nan 8.230 nan 0.000 0.500 379 G N 0.407 109.256 108.800 0.083 0.000 2.820 379 G HA2 0.519 4.480 3.960 0.000 0.000 0.291 379 G HA3 0.519 4.480 3.960 0.000 0.000 0.291 379 G C -0.158 174.821 174.900 0.133 0.000 1.323 379 G CA -0.196 44.949 45.100 0.075 0.000 1.055 379 G HN 0.786 nan 8.290 nan 0.000 0.520 380 N N -0.095 118.633 118.700 0.047 0.000 2.776 380 N HA -0.147 4.593 4.740 0.000 0.000 0.250 380 N C -0.098 175.272 175.510 -0.233 0.000 1.112 380 N CA 1.288 54.322 53.050 -0.027 0.000 0.733 380 N CB -0.674 37.866 38.487 0.089 0.000 1.097 380 N HN 0.667 nan 8.380 nan 0.000 0.558 381 D N -2.966 117.348 120.400 -0.145 0.000 2.981 381 D HA -0.223 4.418 4.640 0.000 0.000 0.223 381 D C -0.591 175.564 176.300 -0.243 0.000 1.151 381 D CA 1.021 54.907 54.000 -0.190 0.000 0.827 381 D CB -1.506 39.175 40.800 -0.197 0.000 1.101 381 D HN 0.552 nan 8.370 nan 0.000 0.426 382 W N 0.292 121.570 121.300 -0.036 0.000 2.316 382 W HA 0.412 5.072 4.660 0.001 0.000 0.308 382 W C 1.653 178.159 176.519 -0.021 0.000 1.106 382 W CA -0.865 56.472 57.345 -0.012 0.000 1.262 382 W CB 0.960 30.355 29.460 -0.108 0.000 1.233 382 W HN -0.110 nan 8.180 nan 0.000 0.447 383 V N 2.798 122.766 119.914 0.091 0.000 2.809 383 V HA -0.148 3.973 4.120 0.000 0.000 0.256 383 V C 1.058 177.200 176.094 0.081 0.000 1.080 383 V CA 0.754 63.028 62.300 -0.043 0.000 1.102 383 V CB -0.833 30.677 31.823 -0.520 0.000 0.705 383 V HN 0.770 nan 8.190 nan 0.000 0.475 384 c N 1.583 120.275 118.600 0.153 0.000 3.563 384 c HA -0.165 4.406 4.570 0.000 0.000 0.284 384 c C 1.542 175.493 174.090 -0.232 0.000 1.356 384 c CA 1.013 57.410 56.329 0.113 0.000 2.166 384 c CB -3.099 39.449 42.510 0.064 0.000 1.399 384 c HN 0.842 nan 8.230 nan 0.000 0.583 385 E N 0.538 120.483 120.200 -0.424 0.000 2.118 385 E HA -0.195 4.155 4.350 0.000 0.000 0.195 385 E C 1.985 178.326 176.600 -0.432 0.000 0.992 385 E CA 1.722 57.498 56.400 -1.040 0.000 0.804 385 E CB -0.168 29.137 29.700 -0.659 0.000 0.741 385 E HN 0.976 nan 8.360 nan 0.000 0.458 386 H N -0.118 118.861 119.070 -0.151 0.000 2.545 386 H HA 0.077 4.633 4.556 0.000 0.000 0.282 386 H C 1.343 176.788 175.328 0.195 0.000 1.020 386 H CA 0.908 57.014 56.048 0.097 0.000 1.243 386 H CB -0.036 29.736 29.762 0.016 0.000 1.377 386 H HN 0.081 nan 8.280 nan 0.000 0.581 387 R N -0.647 119.589 120.500 -0.440 0.000 2.312 387 R HA 0.055 4.395 4.340 0.000 0.000 0.205 387 R C -0.214 176.224 176.300 0.231 0.000 0.904 387 R CA -0.433 55.512 56.100 -0.259 0.000 1.052 387 R CB 0.289 30.268 30.300 -0.535 0.000 1.014 387 R HN 0.101 nan 8.270 nan 0.000 0.503 388 W N 1.683 123.013 121.300 0.051 0.000 2.210 388 W HA 0.136 4.796 4.660 0.000 0.000 0.330 388 W C 1.578 178.186 176.519 0.148 0.000 1.334 388 W CA -1.022 56.383 57.345 0.100 0.000 1.227 388 W CB 0.071 29.613 29.460 0.137 0.000 1.178 388 W HN 0.040 nan 8.180 nan 0.000 0.560 389 R N 1.466 122.151 120.500 0.308 0.000 2.096 389 R HA -0.264 4.076 4.340 0.000 0.000 0.240 389 R C 1.414 177.864 176.300 0.251 0.000 1.139 389 R CA 2.430 58.673 56.100 0.239 0.000 0.952 389 R CB 0.104 30.489 30.300 0.142 0.000 0.854 389 R HN 0.497 nan 8.270 nan 0.000 0.436 390 E N 0.205 120.557 120.200 0.253 0.000 2.110 390 E HA -0.149 4.201 4.350 0.000 0.000 0.193 390 E C 1.918 178.689 176.600 0.285 0.000 0.988 390 E CA 1.230 57.770 56.400 0.234 0.000 0.804 390 E CB -0.063 29.788 29.700 0.250 0.000 0.745 390 E HN 0.344 nan 8.360 nan 0.000 0.458 391 I N 0.539 121.315 120.570 0.344 0.000 2.277 391 I HA -0.125 4.046 4.170 0.000 0.000 0.243 391 I C 2.415 178.695 176.117 0.272 0.000 1.094 391 I CA 1.071 62.539 61.300 0.281 0.000 1.393 391 I CB -1.048 37.114 38.000 0.271 0.000 1.078 391 I HN 0.123 nan 8.210 nan 0.000 0.417 392 R N 1.481 122.193 120.500 0.352 0.000 2.080 392 R HA -0.203 4.137 4.340 0.000 0.000 0.236 392 R C 1.882 178.348 176.300 0.276 0.000 1.137 392 R CA 1.904 58.229 56.100 0.375 0.000 0.943 392 R CB -0.214 30.350 30.300 0.440 0.000 0.846 392 R HN 0.346 nan 8.270 nan 0.000 0.431 393 N N -0.033 118.854 118.700 0.311 0.000 2.309 393 N HA -0.097 4.643 4.740 0.000 0.000 0.182 393 N C 1.554 177.280 175.510 0.359 0.000 1.018 393 N CA 0.945 54.246 53.050 0.418 0.000 0.876 393 N CB -0.072 38.654 38.487 0.397 0.000 0.972 393 N HN 0.240 nan 8.380 nan 0.000 0.434 394 M N -0.121 119.612 119.600 0.222 0.000 2.419 394 M HA 0.055 4.535 4.480 0.000 0.000 0.264 394 M C 1.792 178.162 176.300 0.117 0.000 1.082 394 M CA 0.376 55.756 55.300 0.134 0.000 1.119 394 M CB -0.531 32.106 32.600 0.063 0.000 1.398 394 M HN -0.120 nan 8.290 nan 0.000 0.453 395 V N -1.153 118.798 119.914 0.061 0.000 2.515 395 V HA -0.237 3.883 4.120 0.000 0.000 0.250 395 V C 2.019 178.109 176.094 -0.005 0.000 1.058 395 V CA 1.478 63.710 62.300 -0.113 0.000 1.064 395 V CB -0.621 30.907 31.823 -0.491 0.000 0.675 395 V HN 0.602 nan 8.190 nan 0.000 0.461 396 W N 0.213 121.455 121.300 -0.098 0.000 2.409 396 W HA -0.129 4.531 4.660 0.000 0.000 0.299 396 W C 2.243 178.677 176.519 -0.141 0.000 1.203 396 W CA 0.896 58.185 57.345 -0.094 0.000 1.298 396 W CB -0.797 28.660 29.460 -0.005 0.000 1.127 396 W HN 0.346 nan 8.180 nan 0.000 0.528 397 F N 1.674 121.448 119.950 -0.292 0.000 2.091 397 F HA -0.243 4.284 4.527 0.001 0.000 0.299 397 F C 2.760 178.347 175.800 -0.355 0.000 1.103 397 F CA 2.990 60.672 58.000 -0.531 0.000 1.228 397 F CB -0.613 38.276 39.000 -0.185 0.000 0.984 397 F HN -0.166 nan 8.300 nan 0.000 0.477 398 R N 0.478 121.059 120.500 0.135 0.000 2.081 398 R HA -0.196 4.145 4.340 0.000 0.000 0.235 398 R C 1.996 178.250 176.300 -0.078 0.000 1.131 398 R CA 2.137 58.269 56.100 0.053 0.000 0.960 398 R CB -0.553 29.765 30.300 0.031 0.000 0.856 398 R HN 0.476 nan 8.270 nan 0.000 0.436 399 N N -0.666 117.985 118.700 -0.081 0.000 2.166 399 N HA -0.141 4.599 4.740 0.000 0.000 0.186 399 N C 1.690 177.131 175.510 -0.115 0.000 1.019 399 N CA 1.174 54.187 53.050 -0.061 0.000 0.856 399 N CB 0.086 38.581 38.487 0.013 0.000 0.993 399 N HN 0.013 nan 8.380 nan 0.000 0.426 400 V N 1.014 120.777 119.914 -0.251 0.000 2.358 400 V HA -0.132 3.988 4.120 0.000 0.000 0.246 400 V C 1.968 177.880 176.094 -0.303 0.000 1.047 400 V CA 1.450 63.546 62.300 -0.341 0.000 1.035 400 V CB -0.311 31.078 31.823 -0.723 0.000 0.658 400 V HN 0.345 nan 8.190 nan 0.000 0.452 401 V N -1.977 117.725 119.914 -0.353 0.000 3.514 401 V HA 0.266 4.387 4.120 0.000 0.000 0.301 401 V C 0.528 176.551 176.094 -0.119 0.000 1.346 401 V CA -0.306 61.840 62.300 -0.257 0.000 1.156 401 V CB -0.432 31.183 31.823 -0.347 0.000 1.029 401 V HN 0.435 nan 8.190 nan 0.000 0.428 402 D N 1.691 122.033 120.400 -0.096 0.000 2.487 402 D HA 0.389 5.029 4.640 0.000 0.000 0.243 402 D C 1.483 177.766 176.300 -0.030 0.000 1.154 402 D CA 2.053 56.025 54.000 -0.047 0.000 0.876 402 D CB 0.504 41.282 40.800 -0.037 0.000 1.161 402 D HN 0.600 nan 8.370 nan 0.000 0.478 403 G N 3.186 111.979 108.800 -0.013 0.000 2.217 403 G HA2 -0.235 3.725 3.960 0.000 0.000 0.246 403 G HA3 -0.235 3.725 3.960 0.000 0.000 0.246 403 G C 0.157 175.059 174.900 0.005 0.000 0.990 403 G CA 0.061 45.158 45.100 -0.004 0.000 0.627 403 G HN 0.560 nan 8.290 nan 0.000 0.522 404 E N 2.072 122.274 120.200 0.003 0.000 2.354 404 E HA 0.400 4.751 4.350 0.000 0.000 0.269 404 E C -1.949 174.685 176.600 0.058 0.000 1.036 404 E CA -1.431 54.980 56.400 0.020 0.000 0.876 404 E CB 1.307 31.007 29.700 -0.001 0.000 1.009 404 E HN 0.379 nan 8.360 nan 0.000 0.416 405 P HA 0.161 nan 4.420 nan 0.000 0.279 405 P C -0.374 177.045 177.300 0.199 0.000 1.252 405 P CA -0.541 62.632 63.100 0.122 0.000 0.811 405 P CB 0.570 32.332 31.700 0.104 0.000 1.035 406 F N 1.263 121.245 119.950 0.053 0.000 2.538 406 F HA 0.369 4.896 4.527 0.000 0.000 0.371 406 F C 0.045 175.939 175.800 0.156 0.000 1.087 406 F CA 0.573 58.632 58.000 0.099 0.000 1.250 406 F CB 0.200 39.196 39.000 -0.007 0.000 1.110 406 F HN 0.504 nan 8.300 nan 0.000 0.570 407 A N 4.004 126.748 122.820 -0.127 0.000 2.602 407 A HA 0.426 4.746 4.320 0.000 0.000 0.290 407 A C -0.228 177.362 177.584 0.009 0.000 1.114 407 A CA -0.745 51.281 52.037 -0.018 0.000 0.683 407 A CB 0.830 19.879 19.000 0.080 0.000 1.281 407 A HN 0.842 nan 8.150 nan 0.000 0.416 408 N N 0.066 118.839 118.700 0.122 0.000 2.699 408 N HA -0.161 4.579 4.740 0.000 0.000 0.256 408 N C -0.203 175.482 175.510 0.291 0.000 0.993 408 N CA 1.317 54.500 53.050 0.221 0.000 0.759 408 N CB -0.781 37.866 38.487 0.267 0.000 0.906 408 N HN 0.677 nan 8.380 nan 0.000 0.541 409 W N 0.454 121.788 121.300 0.057 0.000 2.112 409 W HA 0.359 5.019 4.660 0.000 0.000 0.349 409 W C 0.118 176.820 176.519 0.306 0.000 1.289 409 W CA -0.099 57.319 57.345 0.121 0.000 1.256 409 W CB 0.428 29.941 29.460 0.087 0.000 1.148 409 W HN 0.322 nan 8.180 nan 0.000 0.590 410 W N 5.588 126.420 121.300 -0.780 0.000 3.464 410 W HA 0.317 4.977 4.660 0.000 0.000 0.292 410 W C -2.056 174.027 176.519 -0.728 0.000 1.262 410 W CA -0.569 56.497 57.345 -0.465 0.000 1.202 410 W CB 0.545 29.907 29.460 -0.165 0.000 1.334 410 W HN 0.491 nan 8.180 nan 0.000 0.561 411 D N 1.874 121.368 120.400 -1.509 0.000 2.654 411 D HA 0.233 4.873 4.640 0.000 0.000 0.231 411 D C -0.161 175.277 176.300 -1.437 0.000 1.239 411 D CA -0.678 52.482 54.000 -1.401 0.000 0.790 411 D CB 1.159 41.670 40.800 -0.482 0.000 1.480 411 D HN 0.298 nan 8.370 nan 0.000 0.442 412 N N 0.973 119.056 118.700 -1.028 0.000 2.383 412 N HA 0.156 4.896 4.740 0.000 0.000 0.192 412 N C 1.343 176.741 175.510 -0.187 0.000 1.141 412 N CA 0.388 53.166 53.050 -0.452 0.000 0.851 412 N CB 0.205 38.617 38.487 -0.124 0.000 0.976 412 N HN 1.084 nan 8.380 nan 0.000 0.465 413 G N -1.563 107.115 108.800 -0.203 0.000 2.143 413 G HA2 -0.300 3.661 3.960 0.000 0.000 0.249 413 G HA3 -0.300 3.661 3.960 0.000 0.000 0.249 413 G C 0.351 175.225 174.900 -0.042 0.000 0.981 413 G CA 0.641 45.705 45.100 -0.061 0.000 0.665 413 G HN 0.641 nan 8.290 nan 0.000 0.528 414 S N -1.275 114.371 115.700 -0.089 0.000 4.002 414 S HA 0.361 4.831 4.470 0.000 0.000 0.167 414 S C 0.994 175.481 174.600 -0.188 0.000 0.914 414 S CA 0.777 58.928 58.200 -0.082 0.000 1.110 414 S CB 0.242 63.492 63.200 0.083 0.000 1.714 414 S HN 0.223 nan 8.310 nan 0.000 0.858 415 N N 0.991 119.562 118.700 -0.216 0.000 2.167 415 N HA 0.278 5.019 4.740 0.000 0.000 0.234 415 N C -1.159 174.209 175.510 -0.237 0.000 1.312 415 N CA 0.022 52.918 53.050 -0.258 0.000 0.861 415 N CB 1.123 39.443 38.487 -0.278 0.000 1.217 415 N HN 0.460 nan 8.380 nan 0.000 0.504 416 Q N 1.092 120.759 119.800 -0.222 0.000 2.314 416 Q HA 0.543 4.883 4.340 0.000 0.000 0.259 416 Q C -0.770 175.109 176.000 -0.201 0.000 0.951 416 Q CA -0.230 55.507 55.803 -0.110 0.000 0.909 416 Q CB 2.638 31.383 28.738 0.012 0.000 1.236 416 Q HN -0.135 nan 8.270 nan 0.000 0.444 417 V N 1.069 120.967 119.914 -0.027 0.000 3.007 417 V HA 0.916 5.036 4.120 0.000 0.000 0.311 417 V C -1.138 174.996 176.094 0.067 0.000 1.120 417 V CA -0.679 61.517 62.300 -0.174 0.000 0.980 417 V CB 2.157 33.845 31.823 -0.225 0.000 1.033 417 V HN 0.836 nan 8.190 nan 0.000 0.429 418 A N 3.549 126.285 122.820 -0.140 0.000 2.589 418 A HA 1.007 5.327 4.320 0.000 0.000 0.296 418 A C -1.421 176.036 177.584 -0.211 0.000 1.062 418 A CA -0.478 51.448 52.037 -0.185 0.000 0.686 418 A CB 1.785 20.687 19.000 -0.163 0.000 1.282 418 A HN 1.731 nan 8.150 nan 0.000 0.404 419 F N -0.616 118.938 119.950 -0.661 0.000 2.719 419 F HA 0.820 5.347 4.527 0.000 0.000 0.309 419 F C -0.031 175.424 175.800 -0.575 0.000 1.138 419 F CA -0.272 57.451 58.000 -0.463 0.000 0.943 419 F CB 0.796 39.703 39.000 -0.156 0.000 1.304 419 F HN 1.039 nan 8.300 nan 0.000 0.445 420 G N 0.717 109.498 108.800 -0.032 0.000 2.644 420 G HA2 0.689 4.650 3.960 0.000 0.000 0.307 420 G HA3 0.689 4.650 3.960 0.000 0.000 0.307 420 G C -1.424 173.578 174.900 0.169 0.000 1.250 420 G CA -1.278 43.889 45.100 0.113 0.000 0.996 420 G HN 0.599 nan 8.290 nan 0.000 0.489 421 R N 0.309 120.889 120.500 0.133 0.000 2.443 421 R HA 0.471 4.812 4.340 0.000 0.000 0.287 421 R C 0.785 177.115 176.300 0.049 0.000 1.425 421 R CA 0.035 56.205 56.100 0.117 0.000 1.300 421 R CB 0.250 30.601 30.300 0.085 0.000 1.129 421 R HN 1.329 nan 8.270 nan 0.000 0.577 422 G N 3.136 111.977 108.800 0.069 0.000 2.556 422 G HA2 -0.403 3.558 3.960 0.000 0.000 0.283 422 G HA3 -0.403 3.558 3.960 0.000 0.000 0.283 422 G C 0.214 175.129 174.900 0.025 0.000 1.177 422 G CA 0.450 45.574 45.100 0.041 0.000 0.978 422 G HN 0.606 nan 8.290 nan 0.000 0.554 423 N N 0.758 119.458 118.700 -0.000 0.000 2.328 423 N HA 0.247 4.987 4.740 0.000 0.000 0.247 423 N C 1.190 176.682 175.510 -0.030 0.000 1.165 423 N CA 0.105 53.148 53.050 -0.012 0.000 0.873 423 N CB 0.585 39.068 38.487 -0.007 0.000 1.125 423 N HN 0.707 nan 8.380 nan 0.000 0.513 424 R N -1.147 119.317 120.500 -0.059 0.000 2.487 424 R HA 0.345 4.685 4.340 0.000 0.000 0.272 424 R C 0.044 176.226 176.300 -0.196 0.000 0.928 424 R CA 0.170 56.206 56.100 -0.107 0.000 1.077 424 R CB 1.345 31.566 30.300 -0.133 0.000 1.265 424 R HN 0.221 nan 8.270 nan 0.000 0.537 425 G N 0.509 109.200 108.800 -0.182 0.000 2.755 425 G HA2 0.480 4.441 3.960 0.000 0.000 0.297 425 G HA3 0.480 4.441 3.960 0.000 0.000 0.297 425 G C -2.085 172.871 174.900 0.094 0.000 1.441 425 G CA -0.394 44.563 45.100 -0.238 0.000 0.964 425 G HN 0.008 nan 8.290 nan 0.000 0.540 426 F N 1.500 121.454 119.950 0.006 0.000 2.591 426 F HA 0.828 5.355 4.527 0.000 0.000 0.309 426 F C -0.959 174.762 175.800 -0.133 0.000 1.098 426 F CA -1.028 56.921 58.000 -0.086 0.000 0.937 426 F CB 2.069 40.978 39.000 -0.152 0.000 1.250 426 F HN 0.515 nan 8.300 nan 0.000 0.447 427 I N 5.821 125.878 120.570 -0.855 0.000 2.769 427 I HA 0.744 4.914 4.170 0.000 0.000 0.298 427 I C -2.021 173.525 176.117 -0.952 0.000 1.128 427 I CA -0.905 59.912 61.300 -0.805 0.000 1.031 427 I CB 2.060 39.526 38.000 -0.890 0.000 1.235 427 I HN 0.501 nan 8.210 nan 0.000 0.423 428 V N 7.108 126.560 119.914 -0.769 0.000 2.733 428 V HA 0.603 4.723 4.120 0.000 0.000 0.306 428 V C -1.727 174.114 176.094 -0.423 0.000 1.084 428 V CA -0.248 61.728 62.300 -0.541 0.000 0.905 428 V CB 1.946 33.379 31.823 -0.652 0.000 1.010 428 V HN 0.607 nan 8.190 nan 0.000 0.424 429 F N 4.412 124.309 119.950 -0.088 0.000 2.538 429 F HA 0.645 5.172 4.527 0.000 0.000 0.325 429 F C 0.204 175.978 175.800 -0.043 0.000 1.066 429 F CA -0.728 57.253 58.000 -0.032 0.000 0.946 429 F CB 1.969 40.911 39.000 -0.097 0.000 1.199 429 F HN 0.522 nan 8.300 nan 0.000 0.473 430 N N 1.509 120.301 118.700 0.153 0.000 2.617 430 N HA 0.185 4.925 4.740 0.000 0.000 0.263 430 N C -0.917 174.563 175.510 -0.051 0.000 1.074 430 N CA -0.219 52.837 53.050 0.011 0.000 0.841 430 N CB 0.441 38.924 38.487 -0.008 0.000 1.221 430 N HN 0.559 nan 8.380 nan 0.000 0.529 431 N N 1.770 120.389 118.700 -0.135 0.000 2.234 431 N HA 0.162 4.903 4.740 0.000 0.000 0.227 431 N C -1.089 174.262 175.510 -0.265 0.000 1.151 431 N CA -0.125 52.822 53.050 -0.172 0.000 0.865 431 N CB 0.336 38.703 38.487 -0.200 0.000 1.066 431 N HN 0.484 nan 8.380 nan 0.000 0.515 432 D N -0.434 119.720 120.400 -0.411 0.000 2.277 432 D HA 0.168 4.808 4.640 0.000 0.000 0.250 432 D C -0.162 175.794 176.300 -0.574 0.000 1.032 432 D CA -0.205 53.356 54.000 -0.732 0.000 0.947 432 D CB 1.112 41.043 40.800 -1.449 0.000 1.159 432 D HN 0.083 nan 8.370 nan 0.000 0.460 433 D N 1.340 121.491 120.400 -0.416 0.000 2.400 433 D HA 0.109 4.749 4.640 0.000 0.000 0.243 433 D C 0.000 176.408 176.300 0.180 0.000 1.184 433 D CA 0.040 54.023 54.000 -0.028 0.000 0.853 433 D CB -0.084 40.792 40.800 0.127 0.000 0.944 433 D HN 0.341 nan 8.370 nan 0.000 0.501 434 W N -0.519 120.800 121.300 0.031 0.000 3.075 434 W HA 0.408 5.067 4.660 -0.001 0.000 0.334 434 W C -0.342 176.206 176.519 0.048 0.000 1.243 434 W CA -1.476 55.891 57.345 0.035 0.000 1.170 434 W CB 0.184 29.663 29.460 0.032 0.000 1.452 434 W HN -0.352 nan 8.180 nan 0.000 0.572 435 Q N 1.917 121.881 119.800 0.273 0.000 2.354 435 Q HA 0.151 4.491 4.340 0.000 0.000 0.310 435 Q C -1.240 174.863 176.000 0.171 0.000 1.104 435 Q CA 0.488 56.397 55.803 0.177 0.000 0.968 435 Q CB 0.515 29.361 28.738 0.180 0.000 1.251 435 Q HN 0.706 nan 8.270 nan 0.000 0.411 436 L N 2.973 124.263 121.223 0.112 0.000 2.343 436 L HA 0.575 4.915 4.340 0.000 0.000 0.278 436 L C -1.318 175.625 176.870 0.122 0.000 0.996 436 L CA -0.166 54.752 54.840 0.130 0.000 0.831 436 L CB 1.582 43.697 42.059 0.093 0.000 1.232 436 L HN 0.641 nan 8.230 nan 0.000 0.413 437 S N 3.097 118.879 115.700 0.135 0.000 2.775 437 S HA 0.753 5.223 4.470 0.000 0.000 0.277 437 S C -1.242 173.397 174.600 0.066 0.000 1.156 437 S CA -0.320 57.935 58.200 0.093 0.000 1.081 437 S CB 1.093 64.346 63.200 0.089 0.000 1.054 437 S HN 0.690 nan 8.310 nan 0.000 0.482 438 S N 2.319 118.019 115.700 -0.000 0.000 2.579 438 S HA 0.574 5.044 4.470 0.000 0.000 0.272 438 S C -1.132 173.418 174.600 -0.082 0.000 1.141 438 S CA -0.826 57.318 58.200 -0.093 0.000 0.843 438 S CB 2.043 65.015 63.200 -0.381 0.000 1.122 438 S HN 0.573 nan 8.310 nan 0.000 0.468 439 T N 2.621 117.112 114.554 -0.104 0.000 2.947 439 T HA 0.475 4.825 4.350 0.000 0.000 0.337 439 T C -0.346 174.271 174.700 -0.137 0.000 1.139 439 T CA -0.334 61.712 62.100 -0.089 0.000 0.992 439 T CB -0.363 68.466 68.868 -0.065 0.000 1.043 439 T HN 0.317 nan 8.240 nan 0.000 0.498 440 L N 2.302 123.445 121.223 -0.133 0.000 2.360 440 L HA 0.573 4.914 4.340 0.000 0.000 0.271 440 L C 0.438 177.187 176.870 -0.201 0.000 1.057 440 L CA -1.256 53.465 54.840 -0.199 0.000 0.803 440 L CB 1.080 43.000 42.059 -0.231 0.000 1.207 440 L HN 0.381 nan 8.230 nan 0.000 0.445 441 Q N 0.692 120.385 119.800 -0.178 0.000 2.307 441 Q HA 0.115 4.455 4.340 0.000 0.000 0.259 441 Q C 0.632 176.386 176.000 -0.410 0.000 0.998 441 Q CA 0.045 55.729 55.803 -0.200 0.000 0.923 441 Q CB 1.378 30.073 28.738 -0.072 0.000 1.196 441 Q HN 0.727 nan 8.270 nan 0.000 0.416 442 T N 0.583 114.775 114.554 -0.602 0.000 3.009 442 T HA 0.223 4.573 4.350 0.000 0.000 0.258 442 T C 1.335 175.792 174.700 -0.406 0.000 1.063 442 T CA 0.591 62.079 62.100 -1.021 0.000 1.139 442 T CB -0.219 68.125 68.868 -0.874 0.000 0.890 442 T HN 1.100 nan 8.240 nan 0.000 0.471 443 G N 0.916 109.579 108.800 -0.229 0.000 2.176 443 G HA2 -0.151 3.810 3.960 0.000 0.000 0.253 443 G HA3 -0.151 3.810 3.960 0.000 0.000 0.253 443 G C -0.241 174.605 174.900 -0.091 0.000 0.979 443 G CA 0.215 45.257 45.100 -0.097 0.000 0.641 443 G HN 0.596 nan 8.290 nan 0.000 0.530 444 L N 0.757 121.888 121.223 -0.153 0.000 2.352 444 L HA 0.695 5.035 4.340 0.000 0.000 0.269 444 L C -1.637 175.203 176.870 -0.050 0.000 1.034 444 L CA -2.201 52.574 54.840 -0.109 0.000 0.806 444 L CB 0.644 42.559 42.059 -0.241 0.000 1.244 444 L HN -0.147 nan 8.230 nan 0.000 0.447 445 P HA 0.182 nan 4.420 nan 0.000 0.271 445 P C -0.299 177.031 177.300 0.050 0.000 1.233 445 P CA -0.327 62.795 63.100 0.037 0.000 0.789 445 P CB 0.395 32.128 31.700 0.056 0.000 0.951 446 G N -0.202 108.583 108.800 -0.026 0.000 2.503 446 G HA2 0.525 4.485 3.960 0.000 0.000 0.257 446 G HA3 0.525 4.485 3.960 0.000 0.000 0.257 446 G C -0.016 174.835 174.900 -0.081 0.000 1.214 446 G CA 0.249 45.292 45.100 -0.095 0.000 0.839 446 G HN 0.783 nan 8.290 nan 0.000 0.559 447 G N -0.898 107.806 108.800 -0.160 0.000 2.357 447 G HA2 0.395 4.355 3.960 0.000 0.000 0.289 447 G HA3 0.395 4.355 3.960 0.000 0.000 0.289 447 G C -0.741 174.134 174.900 -0.041 0.000 1.302 447 G CA -0.398 44.649 45.100 -0.089 0.000 0.936 447 G HN 0.869 nan 8.290 nan 0.000 0.513 448 T N 1.100 115.633 114.554 -0.035 0.000 2.758 448 T HA 0.635 4.986 4.350 0.000 0.000 0.285 448 T C -0.987 173.638 174.700 -0.125 0.000 0.981 448 T CA 0.114 62.245 62.100 0.052 0.000 0.965 448 T CB 0.669 69.585 68.868 0.080 0.000 0.927 448 T HN 0.400 nan 8.240 nan 0.000 0.448 449 Y N 0.538 120.816 120.300 -0.037 0.000 2.446 449 Y HA 0.453 5.003 4.550 0.001 0.000 0.338 449 Y C 0.575 176.441 175.900 -0.056 0.000 1.055 449 Y CA -1.086 56.976 58.100 -0.063 0.000 1.101 449 Y CB 1.098 39.504 38.460 -0.089 0.000 1.221 449 Y HN 0.562 nan 8.280 nan 0.000 0.460 450 c N 1.797 120.449 118.600 0.087 0.000 2.388 450 c HA 0.203 4.774 4.570 0.000 0.000 0.362 450 c C 0.151 174.249 174.090 0.013 0.000 1.266 450 c CA -0.747 55.605 56.329 0.040 0.000 2.028 450 c CB 0.043 42.573 42.510 0.033 0.000 2.440 450 c HN 0.731 nan 8.230 nan 0.000 0.547 451 D N 1.232 121.636 120.400 0.006 0.000 2.317 451 D HA 0.208 4.848 4.640 0.000 0.000 0.252 451 D C 0.887 177.172 176.300 -0.026 0.000 1.174 451 D CA -0.343 53.642 54.000 -0.024 0.000 0.866 451 D CB 1.100 41.882 40.800 -0.031 0.000 1.127 451 D HN 0.433 nan 8.370 nan 0.000 0.467 452 V N 2.513 122.407 119.914 -0.034 0.000 3.623 452 V HA 0.061 4.182 4.120 0.000 0.000 0.271 452 V C 1.354 177.453 176.094 0.009 0.000 1.248 452 V CA 0.225 62.552 62.300 0.045 0.000 1.156 452 V CB -0.557 31.338 31.823 0.119 0.000 0.870 452 V HN 0.503 nan 8.190 nan 0.000 0.453 453 I N 2.079 122.575 120.570 -0.123 0.000 2.556 453 I HA 0.018 4.188 4.170 0.000 0.000 0.251 453 I C 2.615 178.635 176.117 -0.162 0.000 1.105 453 I CA 1.895 63.050 61.300 -0.242 0.000 1.436 453 I CB -0.907 36.714 38.000 -0.632 0.000 1.139 453 I HN 0.588 nan 8.210 nan 0.000 0.438 454 S N -0.346 115.272 115.700 -0.136 0.000 2.558 454 S HA 0.376 4.846 4.470 0.000 0.000 0.217 454 S C 0.951 175.532 174.600 -0.030 0.000 0.975 454 S CA 0.323 58.473 58.200 -0.083 0.000 0.912 454 S CB 0.145 63.297 63.200 -0.080 0.000 0.776 454 S HN 0.439 nan 8.310 nan 0.000 0.526 455 G N -0.207 108.590 108.800 -0.005 0.000 2.578 455 G HA2 0.549 4.510 3.960 0.000 0.000 0.302 455 G HA3 0.549 4.510 3.960 0.000 0.000 0.302 455 G C -2.432 172.511 174.900 0.071 0.000 1.243 455 G CA -0.709 44.407 45.100 0.028 0.000 0.843 455 G HN 0.321 nan 8.290 nan 0.000 0.486 456 D N -0.921 119.527 120.400 0.079 0.000 2.559 456 D HA 0.505 5.145 4.640 0.000 0.000 0.250 456 D C -0.812 175.550 176.300 0.103 0.000 1.135 456 D CA -0.708 53.367 54.000 0.126 0.000 0.955 456 D CB 2.190 43.051 40.800 0.102 0.000 1.442 456 D HN 0.446 nan 8.370 nan 0.000 0.471 457 K N 1.299 121.783 120.400 0.140 0.000 2.292 457 K HA 0.481 4.802 4.320 0.000 0.000 0.270 457 K C -1.279 175.364 176.600 0.071 0.000 1.062 457 K CA -0.671 55.678 56.287 0.103 0.000 0.916 457 K CB 0.933 33.519 32.500 0.144 0.000 1.166 457 K HN 0.358 nan 8.250 nan 0.000 0.458 458 V N 3.072 123.011 119.914 0.041 0.000 2.350 458 V HA 0.719 4.839 4.120 0.000 0.000 0.285 458 V C 0.355 176.458 176.094 0.016 0.000 1.014 458 V CA 0.732 63.046 62.300 0.023 0.000 0.831 458 V CB 0.193 32.025 31.823 0.015 0.000 1.000 458 V HN 1.111 nan 8.190 nan 0.000 0.433 459 G N 6.214 115.023 108.800 0.014 0.000 2.527 459 G HA2 -0.318 3.642 3.960 0.000 0.000 0.268 459 G HA3 -0.318 3.642 3.960 0.000 0.000 0.268 459 G C 0.287 175.191 174.900 0.007 0.000 1.175 459 G CA 0.521 45.625 45.100 0.008 0.000 0.962 459 G HN 2.000 nan 8.290 nan 0.000 0.560 460 N N 1.063 119.762 118.700 -0.000 0.000 2.451 460 N HA 0.435 5.175 4.740 0.000 0.000 0.264 460 N C 0.177 175.682 175.510 -0.008 0.000 1.167 460 N CA 0.858 53.904 53.050 -0.007 0.000 0.898 460 N CB 0.179 38.659 38.487 -0.012 0.000 1.176 460 N HN 1.543 nan 8.380 nan 0.000 0.507 461 S N -1.506 114.194 115.700 -0.000 0.000 2.596 461 S HA 0.638 5.108 4.470 0.000 0.000 0.270 461 S C -1.048 173.558 174.600 0.010 0.000 1.155 461 S CA -0.856 57.344 58.200 0.000 0.000 0.827 461 S CB 0.956 64.155 63.200 -0.002 0.000 1.130 461 S HN 0.194 nan 8.310 nan 0.000 0.467 462 c N 1.737 120.342 118.600 0.009 0.000 2.411 462 c HA 0.743 5.313 4.570 0.000 0.000 0.330 462 c C 1.983 176.081 174.090 0.014 0.000 1.224 462 c CA -0.028 56.312 56.329 0.018 0.000 1.770 462 c CB 0.897 43.417 42.510 0.016 0.000 2.297 462 c HN 1.075 nan 8.230 nan 0.000 0.507 463 T N -1.167 113.399 114.554 0.020 0.000 3.107 463 T HA 0.352 4.702 4.350 0.000 0.000 0.249 463 T C 0.754 175.458 174.700 0.007 0.000 1.096 463 T CA 0.623 62.731 62.100 0.013 0.000 1.012 463 T CB 0.065 68.944 68.868 0.019 0.000 0.977 463 T HN 0.930 nan 8.240 nan 0.000 0.527 464 G N 1.271 110.075 108.800 0.006 0.000 3.247 464 G HA2 0.618 4.579 3.960 0.000 0.000 0.199 464 G HA3 0.618 4.579 3.960 0.000 0.000 0.199 464 G C -0.678 174.219 174.900 -0.006 0.000 1.172 464 G CA -0.923 44.175 45.100 -0.004 0.000 0.844 464 G HN 0.607 nan 8.290 nan 0.000 0.619 465 I N -0.359 120.203 120.570 -0.013 0.000 2.754 465 I HA 0.478 4.649 4.170 0.000 0.000 0.285 465 I C -0.576 175.540 176.117 -0.001 0.000 1.166 465 I CA -0.254 61.039 61.300 -0.011 0.000 1.417 465 I CB 0.765 38.756 38.000 -0.014 0.000 1.382 465 I HN 0.223 nan 8.210 nan 0.000 0.588 466 K N 5.913 126.313 120.400 -0.002 0.000 2.270 466 K HA 0.633 4.953 4.320 0.000 0.000 0.255 466 K C -1.422 175.178 176.600 -0.000 0.000 0.936 466 K CA -0.853 55.442 56.287 0.012 0.000 0.809 466 K CB 2.516 35.022 32.500 0.011 0.000 1.131 466 K HN 0.464 nan 8.250 nan 0.000 0.427 467 V N 3.098 123.021 119.914 0.015 0.000 2.487 467 V HA 0.210 4.330 4.120 0.000 0.000 0.298 467 V C -1.246 174.858 176.094 0.017 0.000 1.028 467 V CA -0.941 61.317 62.300 -0.071 0.000 0.860 467 V CB 1.007 32.754 31.823 -0.127 0.000 0.991 467 V HN 0.644 nan 8.190 nan 0.000 0.427 468 Y N 5.442 125.654 120.300 -0.146 0.000 2.335 468 Y HA 0.647 5.197 4.550 0.000 0.000 0.339 468 Y C -0.197 175.628 175.900 -0.126 0.000 0.987 468 Y CA -0.868 57.179 58.100 -0.089 0.000 1.140 468 Y CB 1.766 40.169 38.460 -0.094 0.000 1.173 468 Y HN 0.505 nan 8.280 nan 0.000 0.486 469 V N 6.648 126.145 119.914 -0.694 0.000 2.370 469 V HA 0.616 4.737 4.120 0.000 0.000 0.283 469 V C -0.253 175.334 176.094 -0.845 0.000 1.023 469 V CA -0.155 61.785 62.300 -0.601 0.000 0.857 469 V CB 0.645 32.269 31.823 -0.332 0.000 0.985 469 V HN 0.951 nan 8.190 nan 0.000 0.443 470 S N 4.425 119.766 115.700 -0.599 0.000 2.606 470 S HA 0.141 4.612 4.470 0.000 0.000 0.257 470 S C 1.619 176.092 174.600 -0.212 0.000 1.327 470 S CA 0.100 58.086 58.200 -0.357 0.000 0.984 470 S CB 0.856 63.986 63.200 -0.117 0.000 0.941 470 S HN 1.754 nan 8.310 nan 0.000 0.576 471 S N 0.645 116.286 115.700 -0.099 0.000 2.402 471 S HA -0.225 4.245 4.470 0.000 0.000 0.233 471 S C 1.178 175.739 174.600 -0.066 0.000 1.030 471 S CA 1.365 59.527 58.200 -0.062 0.000 1.003 471 S CB -0.993 62.194 63.200 -0.021 0.000 0.813 471 S HN 0.905 nan 8.310 nan 0.000 0.477 472 D N 0.366 120.723 120.400 -0.071 0.000 2.349 472 D HA 0.232 4.872 4.640 0.000 0.000 0.224 472 D C 1.456 177.702 176.300 -0.091 0.000 1.029 472 D CA 0.698 54.659 54.000 -0.065 0.000 0.879 472 D CB -0.673 40.097 40.800 -0.050 0.000 0.906 472 D HN 0.675 nan 8.370 nan 0.000 0.528 473 G N 0.188 108.911 108.800 -0.129 0.000 2.175 473 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 473 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 473 G C 0.498 175.266 174.900 -0.220 0.000 0.982 473 G CA 0.422 45.422 45.100 -0.167 0.000 0.641 473 G HN 0.743 nan 8.290 nan 0.000 0.527 474 T N -1.271 113.167 114.554 -0.193 0.000 2.882 474 T HA 0.842 5.192 4.350 0.000 0.000 0.287 474 T C 0.064 174.615 174.700 -0.248 0.000 1.014 474 T CA 0.530 62.511 62.100 -0.199 0.000 1.049 474 T CB 2.300 71.088 68.868 -0.134 0.000 1.001 474 T HN 1.956 nan 8.240 nan 0.000 0.525 475 A N 1.352 124.022 122.820 -0.250 0.000 2.540 475 A HA 0.594 4.914 4.320 0.000 0.000 0.297 475 A C -0.855 176.494 177.584 -0.393 0.000 1.056 475 A CA -0.963 50.847 52.037 -0.378 0.000 0.700 475 A CB 1.820 20.476 19.000 -0.573 0.000 1.280 475 A HN 0.849 nan 8.150 nan 0.000 0.398 476 Q N 1.266 120.836 119.800 -0.382 0.000 2.279 476 Q HA 0.667 5.007 4.340 0.000 0.000 0.256 476 Q C -1.803 173.943 176.000 -0.422 0.000 0.937 476 Q CA 0.460 56.107 55.803 -0.261 0.000 0.933 476 Q CB 0.040 28.694 28.738 -0.140 0.000 1.189 476 Q HN 0.440 nan 8.270 nan 0.000 0.417 477 F N 1.548 121.438 119.950 -0.100 0.000 2.522 477 F HA 0.614 5.142 4.527 0.000 0.000 0.324 477 F C -0.102 175.664 175.800 -0.056 0.000 1.077 477 F CA -0.685 57.267 58.000 -0.081 0.000 0.944 477 F CB 2.519 41.458 39.000 -0.101 0.000 1.175 477 F HN 0.445 nan 8.300 nan 0.000 0.468 478 S N 3.605 119.393 115.700 0.147 0.000 2.776 478 S HA 0.646 5.116 4.470 0.000 0.000 0.284 478 S C -0.918 173.731 174.600 0.080 0.000 1.160 478 S CA -0.464 57.790 58.200 0.089 0.000 1.051 478 S CB 0.758 63.986 63.200 0.046 0.000 1.037 478 S HN 0.398 nan 8.310 nan 0.000 0.485 479 I N 2.162 122.776 120.570 0.074 0.000 2.466 479 I HA 0.386 4.556 4.170 0.000 0.000 0.289 479 I C -0.057 176.086 176.117 0.044 0.000 1.026 479 I CA -0.461 60.869 61.300 0.051 0.000 1.078 479 I CB 2.190 40.216 38.000 0.044 0.000 1.249 479 I HN 0.412 nan 8.210 nan 0.000 0.429 480 S N 4.049 119.771 115.700 0.037 0.000 2.585 480 S HA 0.139 4.609 4.470 0.000 0.000 0.277 480 S C 1.205 175.820 174.600 0.024 0.000 1.241 480 S CA -0.808 57.415 58.200 0.038 0.000 1.041 480 S CB 0.967 64.189 63.200 0.038 0.000 0.987 480 S HN 0.781 nan 8.310 nan 0.000 0.512 481 N N 1.297 120.009 118.700 0.019 0.000 2.512 481 N HA -0.116 4.624 4.740 0.000 0.000 0.183 481 N C 1.148 176.669 175.510 0.018 0.000 1.073 481 N CA 1.058 54.107 53.050 -0.002 0.000 0.911 481 N CB -0.244 38.234 38.487 -0.013 0.000 0.964 481 N HN 0.543 nan 8.380 nan 0.000 0.447 482 S N -0.574 115.143 115.700 0.029 0.000 2.503 482 S HA 0.362 4.832 4.470 0.000 0.000 0.217 482 S C 1.098 175.714 174.600 0.026 0.000 0.999 482 S CA -0.105 58.113 58.200 0.029 0.000 0.914 482 S CB -0.251 62.968 63.200 0.031 0.000 0.782 482 S HN 0.507 nan 8.310 nan 0.000 0.520 483 A N 3.447 126.283 122.820 0.025 0.000 2.587 483 A HA 0.155 4.476 4.320 0.000 0.000 0.233 483 A C 1.735 179.335 177.584 0.027 0.000 1.049 483 A CA 0.332 52.382 52.037 0.021 0.000 0.754 483 A CB 0.157 19.168 19.000 0.019 0.000 0.977 483 A HN 0.563 nan 8.150 nan 0.000 0.509 484 E N 1.908 122.117 120.200 0.014 0.000 2.049 484 E HA -0.188 4.163 4.350 0.000 0.000 0.198 484 E C -0.455 176.170 176.600 0.042 0.000 1.007 484 E CA 1.766 58.175 56.400 0.016 0.000 0.809 484 E CB -0.347 29.349 29.700 -0.007 0.000 0.749 484 E HN 0.656 nan 8.360 nan 0.000 0.450 485 D N 2.065 122.483 120.400 0.030 0.000 2.462 485 D HA 0.196 4.836 4.640 0.000 0.000 0.245 485 D C -2.199 174.152 176.300 0.085 0.000 1.122 485 D CA -1.583 52.465 54.000 0.080 0.000 0.864 485 D CB 1.924 42.677 40.800 -0.077 0.000 1.098 485 D HN 0.116 nan 8.370 nan 0.000 0.541 486 P HA 0.101 nan 4.420 nan 0.000 0.246 486 P C -0.771 176.707 177.300 0.297 0.000 1.686 486 P CA -0.140 63.074 63.100 0.191 0.000 0.867 486 P CB -0.921 30.862 31.700 0.137 0.000 1.733 487 F N -1.727 118.160 119.950 -0.105 0.000 2.665 487 F HA 0.615 5.142 4.527 -0.000 0.000 0.308 487 F C -1.639 174.000 175.800 -0.269 0.000 1.112 487 F CA -1.627 56.208 58.000 -0.275 0.000 0.972 487 F CB 0.985 39.672 39.000 -0.522 0.000 1.295 487 F HN -0.338 nan 8.300 nan 0.000 0.440 488 I N 2.690 123.079 120.570 -0.301 0.000 2.509 488 I HA 0.790 4.960 4.170 0.000 0.000 0.293 488 I C -0.710 175.238 176.117 -0.283 0.000 1.020 488 I CA -1.140 60.000 61.300 -0.266 0.000 1.088 488 I CB 2.077 40.048 38.000 -0.049 0.000 1.267 488 I HN 0.950 nan 8.210 nan 0.000 0.430 489 A N 7.753 130.440 122.820 -0.221 0.000 2.381 489 A HA 0.863 5.183 4.320 0.000 0.000 0.299 489 A C -0.815 176.769 177.584 -0.000 0.000 1.049 489 A CA -0.471 51.477 52.037 -0.149 0.000 0.715 489 A CB 1.149 19.977 19.000 -0.287 0.000 1.222 489 A HN 0.712 nan 8.150 nan 0.000 0.428 490 I N 0.119 120.736 120.570 0.078 0.000 2.892 490 I HA 0.970 5.140 4.170 0.000 0.000 0.306 490 I C -0.550 175.545 176.117 -0.037 0.000 1.078 490 I CA -1.009 60.259 61.300 -0.054 0.000 1.032 490 I CB 2.425 40.354 38.000 -0.118 0.000 1.229 490 I HN 0.929 nan 8.210 nan 0.000 0.435 491 H N 2.097 121.107 119.070 -0.100 0.000 2.981 491 H HA 0.687 5.243 4.556 0.000 0.000 0.327 491 H C 0.290 175.588 175.328 -0.050 0.000 1.342 491 H CA -0.403 55.499 56.048 -0.243 0.000 1.123 491 H CB 1.047 30.462 29.762 -0.578 0.000 1.851 491 H HN 0.666 nan 8.280 nan 0.000 0.531 492 A N 0.112 123.016 122.820 0.139 0.000 1.997 492 A HA -0.226 4.095 4.320 0.000 0.000 0.221 492 A C 1.389 179.058 177.584 0.142 0.000 1.172 492 A CA 2.110 54.241 52.037 0.158 0.000 0.645 492 A CB -0.818 18.209 19.000 0.045 0.000 0.813 492 A HN 0.788 nan 8.150 nan 0.000 0.454 493 E N -0.479 119.851 120.200 0.217 0.000 2.465 493 E HA 0.032 4.382 4.350 0.000 0.000 0.191 493 E C 1.240 177.943 176.600 0.171 0.000 1.053 493 E CA 0.486 57.020 56.400 0.223 0.000 0.869 493 E CB 0.111 30.033 29.700 0.370 0.000 0.977 493 E HN 0.734 nan 8.360 nan 0.000 0.483 494 S N 0.011 115.655 115.700 -0.092 0.000 2.559 494 S HA 0.114 4.585 4.470 0.000 0.000 0.226 494 S C 0.590 175.163 174.600 -0.045 0.000 1.000 494 S CA -0.483 57.653 58.200 -0.106 0.000 0.948 494 S CB 0.170 63.115 63.200 -0.425 0.000 0.870 494 S HN -0.026 nan 8.310 nan 0.000 0.497 495 K N 1.195 121.529 120.400 -0.111 0.000 2.326 495 K HA 0.268 4.588 4.320 0.000 0.000 0.275 495 K C -0.357 176.104 176.600 -0.232 0.000 1.018 495 K CA -0.545 55.481 56.287 -0.434 0.000 0.962 495 K CB 0.329 32.475 32.500 -0.591 0.000 0.953 495 K HN 0.147 nan 8.250 nan 0.000 0.475 496 L N 0.000 121.077 121.223 -0.243 0.000 2.949 496 L HA 0.000 4.340 4.340 0.000 0.000 0.249 496 L CA 0.000 54.765 54.840 -0.124 0.000 0.813 496 L CB 0.000 42.004 42.059 -0.091 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502