REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kxq_1_B DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.900 176.000 -0.166 0.000 1.003 1 Q CA 0.000 55.646 55.803 -0.262 0.000 1.022 1 Q CB 0.000 28.478 28.738 -0.434 0.000 1.108 2 Y N -0.100 120.297 120.300 0.161 0.000 2.490 2 Y HA 0.555 5.107 4.550 0.003 0.000 0.285 2 Y C 0.986 176.948 175.900 0.103 0.000 1.117 2 Y CA 0.301 58.505 58.100 0.174 0.000 1.262 2 Y CB 0.202 38.698 38.460 0.059 0.000 1.043 2 Y HN 0.056 nan 8.280 nan 0.000 0.553 3 A N 2.901 125.791 122.820 0.117 0.000 2.409 3 A HA 0.213 4.534 4.320 0.003 0.000 0.267 3 A C -1.314 175.979 177.584 -0.486 0.000 1.127 3 A CA -1.272 50.682 52.037 -0.138 0.000 0.795 3 A CB 0.146 19.113 19.000 -0.054 0.000 1.061 3 A HN 0.090 nan 8.150 nan 0.000 0.502 4 P HA -0.175 nan 4.420 nan 0.000 0.220 4 P C -0.054 176.925 177.300 -0.535 0.000 1.148 4 P CA 0.923 63.004 63.100 -1.698 0.000 0.803 4 P CB 0.109 30.675 31.700 -1.891 0.000 0.782 5 Q N -0.970 118.686 119.800 -0.239 0.000 2.489 5 Q HA -0.111 4.231 4.340 0.003 0.000 0.259 5 Q C 0.226 176.324 176.000 0.162 0.000 0.934 5 Q CA 1.337 57.165 55.803 0.041 0.000 1.131 5 Q CB -3.195 25.589 28.738 0.076 0.000 1.472 5 Q HN 0.491 nan 8.270 nan 0.000 0.560 6 T N -2.904 111.680 114.554 0.050 0.000 2.828 6 T HA 0.387 4.739 4.350 0.003 0.000 0.290 6 T C 0.533 175.260 174.700 0.046 0.000 1.019 6 T CA -0.632 61.526 62.100 0.096 0.000 1.031 6 T CB 1.656 70.583 68.868 0.098 0.000 1.001 6 T HN 0.237 nan 8.240 nan 0.000 0.531 7 Q N 0.646 120.456 119.800 0.017 0.000 2.361 7 Q HA 0.141 4.482 4.340 0.003 0.000 0.276 7 Q C -0.194 175.794 176.000 -0.020 0.000 1.022 7 Q CA -0.157 55.636 55.803 -0.017 0.000 0.898 7 Q CB 0.350 29.067 28.738 -0.035 0.000 1.246 7 Q HN 0.777 nan 8.270 nan 0.000 0.410 8 S N 1.739 117.424 115.700 -0.025 0.000 2.593 8 S HA 0.165 4.637 4.470 0.003 0.000 0.300 8 S C 0.931 175.493 174.600 -0.063 0.000 1.267 8 S CA 0.657 58.836 58.200 -0.035 0.000 1.065 8 S CB 0.278 63.460 63.200 -0.031 0.000 0.807 8 S HN 0.978 nan 8.310 nan 0.000 0.499 9 G N 3.345 112.100 108.800 -0.074 0.000 2.195 9 G HA2 -0.241 3.721 3.960 0.003 0.000 0.246 9 G HA3 -0.241 3.721 3.960 0.003 0.000 0.246 9 G C -0.042 174.763 174.900 -0.159 0.000 0.984 9 G CA -0.250 44.775 45.100 -0.124 0.000 0.633 9 G HN 0.658 nan 8.290 nan 0.000 0.525 10 R N 0.663 121.101 120.500 -0.103 0.000 2.265 10 R HA 0.547 4.889 4.340 0.003 0.000 0.319 10 R C 1.149 177.428 176.300 -0.036 0.000 1.006 10 R CA 0.336 56.374 56.100 -0.103 0.000 0.880 10 R CB 0.956 31.228 30.300 -0.046 0.000 1.077 10 R HN 0.319 nan 8.270 nan 0.000 0.454 11 T N -2.581 111.900 114.554 -0.121 0.000 3.084 11 T HA 0.240 4.591 4.350 0.003 0.000 0.270 11 T C 0.335 174.710 174.700 -0.541 0.000 1.008 11 T CA -0.267 61.730 62.100 -0.173 0.000 0.900 11 T CB 0.439 69.186 68.868 -0.201 0.000 1.084 11 T HN 0.296 nan 8.240 nan 0.000 0.538 12 S N 1.706 117.185 115.700 -0.368 0.000 2.618 12 S HA 0.809 5.281 4.470 0.003 0.000 0.277 12 S C -1.070 173.486 174.600 -0.073 0.000 1.138 12 S CA -0.970 56.956 58.200 -0.456 0.000 0.844 12 S CB 1.901 64.903 63.200 -0.330 0.000 1.127 12 S HN 0.506 nan 8.310 nan 0.000 0.474 13 I N -0.992 119.570 120.570 -0.014 0.000 2.892 13 I HA 0.841 5.012 4.170 0.003 0.000 0.306 13 I C -1.229 174.978 176.117 0.151 0.000 1.078 13 I CA -1.057 60.337 61.300 0.157 0.000 1.032 13 I CB 1.132 39.217 38.000 0.143 0.000 1.229 13 I HN 0.380 nan 8.210 nan 0.000 0.435 14 V N 3.220 123.238 119.914 0.173 0.000 2.604 14 V HA 0.294 4.416 4.120 0.003 0.000 0.305 14 V C -0.662 175.476 176.094 0.073 0.000 1.043 14 V CA -0.495 61.862 62.300 0.095 0.000 0.888 14 V CB 1.564 33.365 31.823 -0.037 0.000 0.995 14 V HN 0.841 nan 8.190 nan 0.000 0.429 15 H N 5.286 124.337 119.070 -0.032 0.000 2.911 15 H HA 0.402 4.960 4.556 0.003 0.000 0.273 15 H C -0.387 174.890 175.328 -0.085 0.000 1.157 15 H CA -0.690 55.362 56.048 0.006 0.000 1.402 15 H CB 0.422 30.215 29.762 0.050 0.000 1.463 15 H HN 0.518 nan 8.280 nan 0.000 0.475 16 L N 7.575 128.716 121.223 -0.137 0.000 2.422 16 L HA 0.123 4.465 4.340 0.003 0.000 0.256 16 L C 0.257 177.034 176.870 -0.155 0.000 1.202 16 L CA -0.474 53.976 54.840 -0.649 0.000 1.119 16 L CB -0.601 40.777 42.059 -1.135 0.000 1.383 16 L HN 0.547 nan 8.230 nan 0.000 0.411 17 F N 4.311 124.053 119.950 -0.346 0.000 2.571 17 F HA -0.086 4.442 4.527 0.003 0.000 0.390 17 F C 1.167 177.208 175.800 0.401 0.000 1.043 17 F CA 0.309 58.170 58.000 -0.231 0.000 1.164 17 F CB 0.160 38.916 39.000 -0.408 0.000 1.049 17 F HN 0.533 nan 8.300 nan 0.000 0.552 18 E N 2.600 122.850 120.200 0.083 0.000 3.496 18 E HA -0.286 4.065 4.350 0.003 0.000 0.300 18 E C -0.688 176.059 176.600 0.245 0.000 0.877 18 E CA 0.836 57.266 56.400 0.050 0.000 1.050 18 E CB -1.512 28.067 29.700 -0.200 0.000 1.532 18 E HN 0.637 nan 8.360 nan 0.000 0.447 19 W N 1.586 122.855 121.300 -0.052 0.000 2.170 19 W HA 0.196 4.857 4.660 0.002 0.000 0.336 19 W C 1.512 177.888 176.519 -0.238 0.000 1.283 19 W CA -0.021 57.174 57.345 -0.250 0.000 1.224 19 W CB 0.281 29.592 29.460 -0.247 0.000 1.132 19 W HN -0.103 nan 8.180 nan 0.000 0.571 20 R N 1.833 122.267 120.500 -0.110 0.000 2.539 20 R HA 0.080 4.421 4.340 0.003 0.000 0.275 20 R C 1.045 177.391 176.300 0.076 0.000 1.077 20 R CA -0.380 55.589 56.100 -0.218 0.000 1.097 20 R CB 0.553 30.740 30.300 -0.187 0.000 1.018 20 R HN 0.703 nan 8.270 nan 0.000 0.483 21 W N 1.221 122.577 121.300 0.092 0.000 2.338 21 W HA -0.246 4.415 4.660 0.002 0.000 0.304 21 W C 2.036 178.572 176.519 0.028 0.000 1.212 21 W CA 0.570 57.956 57.345 0.069 0.000 1.264 21 W CB -0.375 29.142 29.460 0.095 0.000 1.142 21 W HN 0.483 nan 8.180 nan 0.000 0.512 22 V N -1.739 118.319 119.914 0.239 0.000 2.490 22 V HA -0.247 3.875 4.120 0.003 0.000 0.250 22 V C 1.606 177.756 176.094 0.093 0.000 1.061 22 V CA 2.237 64.615 62.300 0.129 0.000 1.064 22 V CB -0.877 30.990 31.823 0.073 0.000 0.670 22 V HN 0.045 nan 8.190 nan 0.000 0.461 23 D N 0.610 121.054 120.400 0.074 0.000 2.149 23 D HA 0.019 4.661 4.640 0.003 0.000 0.201 23 D C 2.183 178.622 176.300 0.233 0.000 0.972 23 D CA 1.645 55.676 54.000 0.052 0.000 0.835 23 D CB -0.059 40.638 40.800 -0.173 0.000 0.966 23 D HN 0.509 nan 8.370 nan 0.000 0.476 24 I N 1.198 121.940 120.570 0.288 0.000 2.252 24 I HA -0.211 3.961 4.170 0.003 0.000 0.245 24 I C 2.498 178.670 176.117 0.091 0.000 1.102 24 I CA 0.718 62.143 61.300 0.209 0.000 1.385 24 I CB -0.195 37.925 38.000 0.200 0.000 1.064 24 I HN -0.093 nan 8.210 nan 0.000 0.414 25 A N 1.272 124.140 122.820 0.081 0.000 1.883 25 A HA -0.188 4.133 4.320 0.003 0.000 0.217 25 A C 2.295 179.902 177.584 0.038 0.000 1.186 25 A CA 1.524 53.575 52.037 0.024 0.000 0.624 25 A CB -0.910 18.105 19.000 0.026 0.000 0.822 25 A HN 0.360 nan 8.150 nan 0.000 0.444 26 L N -1.090 120.172 121.223 0.064 0.000 2.017 26 L HA -0.207 4.135 4.340 0.003 0.000 0.208 26 L C 2.679 179.604 176.870 0.091 0.000 1.073 26 L CA 1.808 56.687 54.840 0.066 0.000 0.745 26 L CB -0.483 41.610 42.059 0.058 0.000 0.894 26 L HN 0.463 nan 8.230 nan 0.000 0.432 27 E N -0.334 119.943 120.200 0.129 0.000 2.110 27 E HA -0.212 4.139 4.350 0.003 0.000 0.193 27 E C 2.253 178.915 176.600 0.103 0.000 0.988 27 E CA 1.520 58.014 56.400 0.156 0.000 0.804 27 E CB -0.277 29.537 29.700 0.191 0.000 0.745 27 E HN 0.435 nan 8.360 nan 0.000 0.458 28 c N 0.563 119.186 118.600 0.039 0.000 2.413 28 c HA -0.129 4.442 4.570 0.003 0.000 0.276 28 c C 2.384 176.495 174.090 0.035 0.000 1.236 28 c CA 1.252 57.586 56.329 0.009 0.000 1.735 28 c CB -0.924 41.564 42.510 -0.037 0.000 2.031 28 c HN 0.546 nan 8.230 nan 0.000 0.474 29 E N 0.458 120.683 120.200 0.041 0.000 2.028 29 E HA -0.175 4.176 4.350 0.003 0.000 0.190 29 E C 2.294 178.936 176.600 0.070 0.000 0.984 29 E CA 1.048 57.475 56.400 0.045 0.000 0.800 29 E CB -0.275 29.448 29.700 0.039 0.000 0.758 29 E HN 0.697 nan 8.360 nan 0.000 0.448 30 R N -0.939 119.621 120.500 0.100 0.000 2.299 30 R HA -0.026 4.316 4.340 0.003 0.000 0.197 30 R C 1.052 177.476 176.300 0.208 0.000 0.971 30 R CA 1.005 57.181 56.100 0.128 0.000 1.030 30 R CB 0.113 30.486 30.300 0.123 0.000 0.932 30 R HN 0.297 nan 8.270 nan 0.000 0.477 31 Y N -0.361 119.970 120.300 0.052 0.000 3.189 31 Y HA 0.217 4.768 4.550 0.002 0.000 0.213 31 Y C 1.558 177.510 175.900 0.086 0.000 1.032 31 Y CA -0.299 57.840 58.100 0.064 0.000 1.482 31 Y CB 0.107 38.596 38.460 0.049 0.000 1.460 31 Y HN -0.133 nan 8.280 nan 0.000 0.398 32 L N 0.508 121.750 121.223 0.032 0.000 2.046 32 L HA -0.098 4.244 4.340 0.003 0.000 0.208 32 L C 2.466 179.401 176.870 0.110 0.000 1.077 32 L CA 1.751 56.584 54.840 -0.011 0.000 0.747 32 L CB -1.043 40.994 42.059 -0.036 0.000 0.896 32 L HN 0.505 nan 8.230 nan 0.000 0.432 33 G N 0.460 109.298 108.800 0.064 0.000 2.453 33 G HA2 -0.164 3.798 3.960 0.003 0.000 0.215 33 G HA3 -0.164 3.798 3.960 0.003 0.000 0.215 33 G C -0.611 174.347 174.900 0.097 0.000 1.201 33 G CA 0.687 45.830 45.100 0.072 0.000 0.784 33 G HN 0.300 nan 8.290 nan 0.000 0.545 34 P HA -0.041 nan 4.420 nan 0.000 0.216 34 P C 1.381 178.758 177.300 0.128 0.000 1.150 34 P CA 1.242 64.383 63.100 0.069 0.000 0.837 34 P CB 0.077 31.783 31.700 0.010 0.000 0.786 35 K N -1.529 118.914 120.400 0.071 0.000 2.458 35 K HA 0.286 4.607 4.320 0.003 0.000 0.194 35 K C 1.137 178.008 176.600 0.453 0.000 1.024 35 K CA 0.589 56.994 56.287 0.196 0.000 1.108 35 K CB -0.938 31.509 32.500 -0.087 0.000 0.846 35 K HN 0.104 nan 8.250 nan 0.000 0.518 36 G N 0.413 109.424 108.800 0.351 0.000 2.153 36 G HA2 -0.286 3.675 3.960 0.003 0.000 0.252 36 G HA3 -0.286 3.675 3.960 0.003 0.000 0.252 36 G C -0.172 174.721 174.900 -0.011 0.000 0.994 36 G CA -0.260 44.896 45.100 0.094 0.000 0.698 36 G HN 0.211 nan 8.290 nan 0.000 0.521 37 F N 0.562 120.526 119.950 0.022 0.000 2.484 37 F HA 0.477 5.005 4.527 0.002 0.000 0.360 37 F C 1.842 177.654 175.800 0.021 0.000 1.101 37 F CA 0.922 58.936 58.000 0.025 0.000 1.251 37 F CB 1.226 40.255 39.000 0.048 0.000 1.132 37 F HN -0.005 nan 8.300 nan 0.000 0.570 38 G N 1.538 110.434 108.800 0.161 0.000 2.430 38 G HA2 0.383 4.345 3.960 0.003 0.000 0.216 38 G HA3 0.383 4.345 3.960 0.003 0.000 0.216 38 G C 0.514 175.561 174.900 0.244 0.000 1.146 38 G CA 0.695 45.896 45.100 0.168 0.000 0.793 38 G HN 1.022 nan 8.290 nan 0.000 0.537 39 G N -2.109 106.874 108.800 0.305 0.000 2.488 39 G HA2 0.455 4.417 3.960 0.003 0.000 0.301 39 G HA3 0.455 4.417 3.960 0.003 0.000 0.301 39 G C -2.200 172.868 174.900 0.280 0.000 1.339 39 G CA -0.284 45.019 45.100 0.339 0.000 0.803 39 G HN 0.456 nan 8.290 nan 0.000 0.482 40 V N 0.507 120.569 119.914 0.245 0.000 2.531 40 V HA 0.542 4.664 4.120 0.003 0.000 0.301 40 V C -0.124 176.137 176.094 0.277 0.000 1.034 40 V CA -0.646 61.745 62.300 0.151 0.000 0.865 40 V CB 1.599 33.414 31.823 -0.013 0.000 0.995 40 V HN 0.855 nan 8.190 nan 0.000 0.424 41 Q N 3.728 123.699 119.800 0.286 0.000 2.296 41 Q HA 0.598 4.940 4.340 0.003 0.000 0.257 41 Q C -0.627 175.574 176.000 0.334 0.000 0.942 41 Q CA -0.446 55.550 55.803 0.322 0.000 0.939 41 Q CB 1.737 30.609 28.738 0.223 0.000 1.198 41 Q HN 0.794 nan 8.270 nan 0.000 0.429 42 V N 1.286 121.386 119.914 0.310 0.000 2.834 42 V HA 0.568 4.689 4.120 0.003 0.000 0.313 42 V C 0.139 176.524 176.094 0.485 0.000 1.060 42 V CA -0.848 61.702 62.300 0.418 0.000 0.989 42 V CB 1.640 33.677 31.823 0.357 0.000 1.041 42 V HN 0.777 nan 8.190 nan 0.000 0.459 43 S N 3.144 119.193 115.700 0.582 0.000 2.589 43 S HA 0.302 4.774 4.470 0.003 0.000 0.265 43 S C -2.345 172.507 174.600 0.420 0.000 1.342 43 S CA -0.284 58.204 58.200 0.479 0.000 1.005 43 S CB 0.096 63.521 63.200 0.374 0.000 0.909 43 S HN 0.853 nan 8.310 nan 0.000 0.555 44 P HA 0.015 nan 4.420 nan 0.000 0.257 44 P C -1.936 175.541 177.300 0.296 0.000 1.162 44 P CA -0.557 62.651 63.100 0.179 0.000 0.762 44 P CB 0.053 31.728 31.700 -0.042 0.000 0.753 45 P HA -0.015 nan 4.420 nan 0.000 0.261 45 P C -0.346 177.075 177.300 0.203 0.000 1.268 45 P CA 0.389 63.700 63.100 0.351 0.000 0.833 45 P CB 0.269 31.927 31.700 -0.069 0.000 1.231 46 N N 0.271 119.069 118.700 0.163 0.000 2.508 46 N HA 0.084 4.826 4.740 0.003 0.000 0.285 46 N C -0.266 175.254 175.510 0.017 0.000 1.144 46 N CA -0.503 52.581 53.050 0.057 0.000 0.978 46 N CB 1.461 39.900 38.487 -0.080 0.000 1.180 46 N HN -0.068 nan 8.380 nan 0.000 0.484 47 E N 0.330 120.519 120.200 -0.018 0.000 2.452 47 E HA -0.083 4.269 4.350 0.003 0.000 0.261 47 E C -0.379 176.200 176.600 -0.035 0.000 0.987 47 E CA 0.065 56.455 56.400 -0.017 0.000 0.926 47 E CB 0.320 30.006 29.700 -0.024 0.000 0.934 47 E HN 0.722 nan 8.360 nan 0.000 0.452 48 N N 3.936 122.631 118.700 -0.009 0.000 2.469 48 N HA 0.269 5.011 4.740 0.003 0.000 0.286 48 N C -0.652 174.867 175.510 0.016 0.000 1.275 48 N CA -0.784 52.268 53.050 0.004 0.000 0.790 48 N CB 0.947 39.440 38.487 0.009 0.000 1.446 48 N HN 0.370 nan 8.380 nan 0.000 0.501 49 I N 0.710 121.302 120.570 0.036 0.000 2.696 49 I HA 0.064 4.236 4.170 0.003 0.000 0.284 49 I C -0.332 175.789 176.117 0.007 0.000 1.129 49 I CA -0.385 60.932 61.300 0.028 0.000 1.410 49 I CB 0.862 38.892 38.000 0.050 0.000 1.399 49 I HN 0.277 nan 8.210 nan 0.000 0.579 50 V N 8.049 127.955 119.914 -0.012 0.000 2.408 50 V HA 0.188 4.310 4.120 0.003 0.000 0.267 50 V C -0.131 175.939 176.094 -0.041 0.000 1.047 50 V CA -0.471 61.810 62.300 -0.032 0.000 0.937 50 V CB 1.064 32.867 31.823 -0.033 0.000 0.999 50 V HN 0.413 nan 8.190 nan 0.000 0.472 51 V N 5.326 125.197 119.914 -0.071 0.000 2.350 51 V HA 0.275 4.397 4.120 0.003 0.000 0.276 51 V C 1.130 177.147 176.094 -0.127 0.000 1.028 51 V CA 0.259 62.505 62.300 -0.091 0.000 0.860 51 V CB 1.469 33.208 31.823 -0.139 0.000 0.990 51 V HN 1.048 nan 8.190 nan 0.000 0.453 52 T N 0.130 114.623 114.554 -0.102 0.000 3.014 52 T HA 0.137 4.489 4.350 0.003 0.000 0.250 52 T C 0.664 175.279 174.700 -0.142 0.000 1.060 52 T CA -0.000 62.036 62.100 -0.105 0.000 1.040 52 T CB 0.006 68.833 68.868 -0.069 0.000 0.971 52 T HN 0.423 nan 8.240 nan 0.000 0.497 53 N N 3.240 121.852 118.700 -0.146 0.000 2.696 53 N HA 0.396 5.138 4.740 0.003 0.000 0.246 53 N C -2.735 172.655 175.510 -0.200 0.000 1.057 53 N CA -1.825 51.120 53.050 -0.175 0.000 0.867 53 N CB 1.529 39.954 38.487 -0.104 0.000 1.141 53 N HN 0.235 nan 8.380 nan 0.000 0.517 54 P HA 0.133 nan 4.420 nan 0.000 0.279 54 P C -0.270 176.720 177.300 -0.516 0.000 1.282 54 P CA -0.447 62.203 63.100 -0.750 0.000 0.788 54 P CB 0.643 31.272 31.700 -1.784 0.000 1.139 55 S N 1.337 116.815 115.700 -0.371 0.000 2.686 55 S HA 0.059 4.530 4.470 0.003 0.000 0.324 55 S C 0.045 174.681 174.600 0.059 0.000 1.172 55 S CA -0.348 57.819 58.200 -0.056 0.000 1.127 55 S CB -1.365 61.879 63.200 0.073 0.000 1.338 55 S HN 0.370 nan 8.310 nan 0.000 0.547 56 R N 1.244 121.695 120.500 -0.083 0.000 3.152 56 R HA -0.098 4.244 4.340 0.003 0.000 0.252 56 R C -2.662 173.570 176.300 -0.115 0.000 0.930 56 R CA 0.291 56.328 56.100 -0.106 0.000 0.642 56 R CB -2.904 27.356 30.300 -0.066 0.000 1.205 56 R HN 0.507 nan 8.270 nan 0.000 0.452 57 P HA -0.015 nan 4.420 nan 0.000 0.272 57 P C 1.513 178.545 177.300 -0.448 0.000 1.240 57 P CA -0.464 62.352 63.100 -0.473 0.000 0.791 57 P CB 0.243 31.028 31.700 -1.524 0.000 0.978 58 W N 2.500 123.694 121.300 -0.178 0.000 2.363 58 W HA -0.110 4.552 4.660 0.003 0.000 0.296 58 W C 1.724 178.386 176.519 0.240 0.000 1.212 58 W CA 0.792 58.177 57.345 0.067 0.000 1.260 58 W CB -1.842 27.825 29.460 0.346 0.000 1.131 58 W HN 0.455 nan 8.180 nan 0.000 0.530 59 W N 3.436 124.349 121.300 -0.644 0.000 2.721 59 W HA -0.018 4.644 4.660 0.003 0.000 0.245 59 W C 1.561 178.057 176.519 -0.039 0.000 1.276 59 W CA 0.948 57.987 57.345 -0.510 0.000 1.342 59 W CB -1.422 27.371 29.460 -1.112 0.000 1.135 59 W HN 0.228 nan 8.180 nan 0.000 0.654 60 E N 1.812 122.030 120.200 0.031 0.000 2.268 60 E HA -0.156 4.196 4.350 0.003 0.000 0.195 60 E C 1.796 178.470 176.600 0.125 0.000 0.995 60 E CA 0.757 57.217 56.400 0.099 0.000 0.836 60 E CB -0.534 29.119 29.700 -0.078 0.000 0.763 60 E HN 0.259 nan 8.360 nan 0.000 0.491 61 R N -0.357 120.210 120.500 0.111 0.000 2.339 61 R HA -0.016 4.326 4.340 0.003 0.000 0.199 61 R C 0.392 176.571 176.300 -0.200 0.000 1.018 61 R CA 0.653 56.730 56.100 -0.037 0.000 1.036 61 R CB -0.045 30.215 30.300 -0.067 0.000 0.899 61 R HN 0.332 nan 8.270 nan 0.000 0.473 62 Y N 0.237 120.704 120.300 0.278 0.000 2.571 62 Y HA 0.199 4.750 4.550 0.003 0.000 0.275 62 Y C 0.199 176.287 175.900 0.314 0.000 1.179 62 Y CA -0.092 58.198 58.100 0.316 0.000 1.242 62 Y CB 0.617 39.303 38.460 0.377 0.000 1.126 62 Y HN -0.095 nan 8.280 nan 0.000 0.524 63 Q N 1.233 121.189 119.800 0.261 0.000 2.907 63 Q HA 0.273 4.615 4.340 0.003 0.000 0.262 63 Q C -2.720 173.342 176.000 0.104 0.000 0.997 63 Q CA -2.085 53.845 55.803 0.213 0.000 0.797 63 Q CB 1.256 30.105 28.738 0.184 0.000 1.228 63 Q HN 0.070 nan 8.270 nan 0.000 0.466 64 P HA -0.082 nan 4.420 nan 0.000 0.269 64 P C 0.437 177.673 177.300 -0.107 0.000 1.209 64 P CA 0.162 63.212 63.100 -0.083 0.000 0.776 64 P CB 0.936 32.533 31.700 -0.173 0.000 0.876 65 V N -0.568 119.289 119.914 -0.094 0.000 3.485 65 V HA 0.361 4.483 4.120 0.003 0.000 0.280 65 V C 0.271 176.345 176.094 -0.033 0.000 1.495 65 V CA 0.706 63.047 62.300 0.068 0.000 1.018 65 V CB -0.157 31.753 31.823 0.145 0.000 0.818 65 V HN 0.679 nan 8.190 nan 0.000 0.436 66 S N -1.255 114.275 115.700 -0.283 0.000 2.669 66 S HA 0.568 5.040 4.470 0.003 0.000 0.266 66 S C -0.920 173.302 174.600 -0.629 0.000 1.149 66 S CA -0.234 57.712 58.200 -0.422 0.000 0.842 66 S CB 0.746 63.856 63.200 -0.150 0.000 1.160 66 S HN 0.075 nan 8.310 nan 0.000 0.487 67 Y N 0.906 121.066 120.300 -0.234 0.000 2.636 67 Y HA 0.467 5.019 4.550 0.003 0.000 0.260 67 Y C 0.666 176.471 175.900 -0.158 0.000 1.177 67 Y CA -0.765 57.102 58.100 -0.389 0.000 1.209 67 Y CB -0.004 38.160 38.460 -0.493 0.000 1.166 67 Y HN 0.405 nan 8.280 nan 0.000 0.531 68 K N 1.166 121.571 120.400 0.008 0.000 2.401 68 K HA 0.140 4.461 4.320 0.003 0.000 0.278 68 K C -0.313 176.322 176.600 0.058 0.000 1.018 68 K CA -0.241 56.075 56.287 0.048 0.000 0.981 68 K CB 0.663 33.184 32.500 0.034 0.000 0.933 68 K HN -0.014 nan 8.250 nan 0.000 0.477 69 L N 3.736 125.000 121.223 0.067 0.000 2.423 69 L HA 0.116 4.458 4.340 0.003 0.000 0.249 69 L C -0.138 176.812 176.870 0.134 0.000 1.276 69 L CA 0.025 54.893 54.840 0.047 0.000 1.199 69 L CB -0.778 41.230 42.059 -0.085 0.000 1.407 69 L HN 0.629 nan 8.230 nan 0.000 0.410 70 c N 2.247 120.924 118.600 0.128 0.000 2.781 70 c HA 0.699 5.271 4.570 0.003 0.000 0.348 70 c C 0.495 174.638 174.090 0.089 0.000 1.051 70 c CA -0.007 56.396 56.329 0.123 0.000 1.347 70 c CB 0.464 43.024 42.510 0.083 0.000 1.846 70 c HN 0.877 nan 8.230 nan 0.000 0.473 71 T N 2.085 116.690 114.554 0.085 0.000 2.716 71 T HA 0.513 4.865 4.350 0.003 0.000 0.286 71 T C 0.902 175.553 174.700 -0.081 0.000 1.052 71 T CA -0.763 61.342 62.100 0.008 0.000 1.024 71 T CB 1.019 69.906 68.868 0.030 0.000 1.349 71 T HN 0.557 nan 8.240 nan 0.000 0.525 72 R N 0.232 120.661 120.500 -0.118 0.000 2.237 72 R HA 0.095 4.436 4.340 0.003 0.000 0.219 72 R C 2.259 178.398 176.300 -0.270 0.000 1.080 72 R CA 0.957 56.967 56.100 -0.150 0.000 0.995 72 R CB -0.389 29.835 30.300 -0.125 0.000 0.875 72 R HN 0.493 nan 8.270 nan 0.000 0.462 73 S N -0.347 115.067 115.700 -0.476 0.000 2.461 73 S HA 0.132 4.604 4.470 0.003 0.000 0.228 73 S C 0.803 174.807 174.600 -0.995 0.000 1.005 73 S CA 0.794 58.431 58.200 -0.938 0.000 0.942 73 S CB 0.508 62.554 63.200 -1.924 0.000 0.776 73 S HN 0.647 nan 8.310 nan 0.000 0.514 74 G N 0.334 108.796 108.800 -0.563 0.000 2.368 74 G HA2 0.123 4.085 3.960 0.003 0.000 0.302 74 G HA3 0.123 4.085 3.960 0.003 0.000 0.302 74 G C -1.402 173.627 174.900 0.215 0.000 1.329 74 G CA -1.009 44.014 45.100 -0.129 0.000 0.935 74 G HN 0.237 nan 8.290 nan 0.000 0.590 75 N N -0.955 117.912 118.700 0.278 0.000 2.491 75 N HA 0.330 5.072 4.740 0.003 0.000 0.279 75 N C 1.226 176.941 175.510 0.341 0.000 1.236 75 N CA -0.158 53.047 53.050 0.259 0.000 0.982 75 N CB 1.689 40.272 38.487 0.160 0.000 1.194 75 N HN 0.731 nan 8.380 nan 0.000 0.582 76 E N 0.583 120.924 120.200 0.236 0.000 2.118 76 E HA -0.281 4.070 4.350 0.003 0.000 0.195 76 E C 1.366 178.107 176.600 0.236 0.000 0.992 76 E CA 1.430 57.963 56.400 0.222 0.000 0.804 76 E CB 0.012 29.798 29.700 0.143 0.000 0.741 76 E HN 0.564 nan 8.360 nan 0.000 0.458 77 N N 1.023 119.838 118.700 0.192 0.000 2.043 77 N HA -0.259 4.483 4.740 0.003 0.000 0.193 77 N C 1.475 177.090 175.510 0.175 0.000 1.037 77 N CA 1.966 55.110 53.050 0.156 0.000 0.851 77 N CB -0.685 37.879 38.487 0.127 0.000 1.027 77 N HN 0.348 nan 8.380 nan 0.000 0.422 78 E N -0.510 119.833 120.200 0.240 0.000 2.150 78 E HA -0.088 4.263 4.350 0.003 0.000 0.193 78 E C 1.701 178.459 176.600 0.262 0.000 0.985 78 E CA 0.595 57.159 56.400 0.273 0.000 0.814 78 E CB -0.293 29.618 29.700 0.352 0.000 0.752 78 E HN 0.340 nan 8.360 nan 0.000 0.466 79 F N 1.834 121.847 119.950 0.105 0.000 2.146 79 F HA -0.111 4.418 4.527 0.004 0.000 0.298 79 F C 2.194 177.880 175.800 -0.191 0.000 1.096 79 F CA 1.403 59.215 58.000 -0.314 0.000 1.275 79 F CB 0.115 38.886 39.000 -0.382 0.000 1.008 79 F HN -0.215 nan 8.300 nan 0.000 0.480 80 R N -0.019 120.509 120.500 0.047 0.000 2.081 80 R HA -0.198 4.144 4.340 0.003 0.000 0.235 80 R C 1.968 178.221 176.300 -0.079 0.000 1.131 80 R CA 1.811 57.907 56.100 -0.007 0.000 0.960 80 R CB -0.827 29.534 30.300 0.102 0.000 0.856 80 R HN 0.342 nan 8.270 nan 0.000 0.436 81 D N 0.488 120.873 120.400 -0.024 0.000 2.123 81 D HA -0.215 4.427 4.640 0.003 0.000 0.196 81 D C 1.944 178.192 176.300 -0.086 0.000 0.992 81 D CA 1.328 55.319 54.000 -0.015 0.000 0.833 81 D CB 0.054 40.875 40.800 0.036 0.000 0.954 81 D HN 0.113 nan 8.370 nan 0.000 0.455 82 M N -0.315 119.186 119.600 -0.163 0.000 2.086 82 M HA -0.152 4.330 4.480 0.003 0.000 0.261 82 M C 1.842 177.933 176.300 -0.348 0.000 1.067 82 M CA 1.327 56.491 55.300 -0.228 0.000 1.116 82 M CB -0.057 32.371 32.600 -0.286 0.000 1.348 82 M HN 0.008 nan 8.290 nan 0.000 0.407 83 V N 0.514 120.118 119.914 -0.517 0.000 2.343 83 V HA -0.254 3.868 4.120 0.003 0.000 0.247 83 V C 2.318 178.134 176.094 -0.464 0.000 1.051 83 V CA 2.302 64.279 62.300 -0.539 0.000 1.036 83 V CB -1.298 30.178 31.823 -0.578 0.000 0.654 83 V HN 0.588 nan 8.190 nan 0.000 0.451 84 T N -0.258 114.144 114.554 -0.253 0.000 2.674 84 T HA -0.189 4.163 4.350 0.003 0.000 0.265 84 T C 2.096 176.732 174.700 -0.106 0.000 1.039 84 T CA 1.627 63.681 62.100 -0.076 0.000 1.150 84 T CB -0.235 68.698 68.868 0.109 0.000 0.864 84 T HN 0.414 nan 8.240 nan 0.000 0.427 85 R N 0.027 120.467 120.500 -0.099 0.000 2.096 85 R HA -0.025 4.317 4.340 0.003 0.000 0.235 85 R C 2.763 178.988 176.300 -0.124 0.000 1.127 85 R CA 1.252 57.309 56.100 -0.070 0.000 0.968 85 R CB -0.677 29.598 30.300 -0.042 0.000 0.861 85 R HN 0.381 nan 8.270 nan 0.000 0.440 86 c N 0.509 118.985 118.600 -0.207 0.000 2.476 86 c HA 0.007 4.579 4.570 0.003 0.000 0.278 86 c C 2.285 176.192 174.090 -0.306 0.000 1.274 86 c CA 0.363 56.560 56.329 -0.221 0.000 1.713 86 c CB -0.896 41.465 42.510 -0.248 0.000 2.039 86 c HN 0.510 nan 8.230 nan 0.000 0.484 87 N N 1.680 120.055 118.700 -0.541 0.000 2.149 87 N HA -0.101 4.641 4.740 0.003 0.000 0.188 87 N C 1.268 176.497 175.510 -0.468 0.000 1.019 87 N CA 1.102 53.655 53.050 -0.828 0.000 0.857 87 N CB -0.636 36.631 38.487 -2.033 0.000 0.997 87 N HN 0.508 nan 8.380 nan 0.000 0.426 88 N N 0.319 118.904 118.700 -0.191 0.000 2.453 88 N HA -0.080 4.662 4.740 0.003 0.000 0.183 88 N C 1.254 176.768 175.510 0.007 0.000 1.041 88 N CA 0.504 53.591 53.050 0.063 0.000 0.900 88 N CB 0.133 38.689 38.487 0.114 0.000 0.961 88 N HN 0.263 nan 8.380 nan 0.000 0.443 89 V N -4.540 115.342 119.914 -0.053 0.000 3.214 89 V HA 0.560 4.682 4.120 0.003 0.000 0.330 89 V C 1.028 177.099 176.094 -0.039 0.000 1.403 89 V CA 0.057 62.342 62.300 -0.025 0.000 1.143 89 V CB -0.019 31.797 31.823 -0.011 0.000 1.098 89 V HN 0.137 nan 8.190 nan 0.000 0.463 90 G N 0.339 109.089 108.800 -0.084 0.000 2.147 90 G HA2 -0.185 3.777 3.960 0.003 0.000 0.244 90 G HA3 -0.185 3.777 3.960 0.003 0.000 0.244 90 G C -0.074 174.781 174.900 -0.075 0.000 1.005 90 G CA 0.182 45.230 45.100 -0.086 0.000 0.713 90 G HN 1.008 nan 8.290 nan 0.000 0.515 91 V N 2.206 122.056 119.914 -0.107 0.000 2.378 91 V HA 0.529 4.651 4.120 0.003 0.000 0.288 91 V C 0.692 176.699 176.094 -0.145 0.000 1.016 91 V CA -1.259 61.004 62.300 -0.061 0.000 0.840 91 V CB 1.368 33.171 31.823 -0.033 0.000 0.994 91 V HN 0.388 nan 8.190 nan 0.000 0.431 92 R N 3.817 124.259 120.500 -0.095 0.000 2.577 92 R HA 0.580 4.922 4.340 0.003 0.000 0.269 92 R C -1.025 175.068 176.300 -0.345 0.000 1.084 92 R CA -0.626 55.328 56.100 -0.243 0.000 1.163 92 R CB 1.106 31.268 30.300 -0.229 0.000 1.100 92 R HN 0.416 nan 8.270 nan 0.000 0.547 93 I N 1.500 121.745 120.570 -0.542 0.000 2.406 93 I HA 0.262 4.433 4.170 0.003 0.000 0.290 93 I C -0.842 174.874 176.117 -0.668 0.000 0.999 93 I CA -0.589 60.436 61.300 -0.458 0.000 1.124 93 I CB 1.042 38.793 38.000 -0.415 0.000 1.289 93 I HN 0.344 nan 8.210 nan 0.000 0.441 94 Y N 4.850 125.126 120.300 -0.039 0.000 2.341 94 Y HA 0.616 5.168 4.550 0.003 0.000 0.338 94 Y C -0.079 175.796 175.900 -0.043 0.000 0.965 94 Y CA -1.090 56.976 58.100 -0.057 0.000 1.108 94 Y CB 1.691 40.257 38.460 0.177 0.000 1.180 94 Y HN 0.187 nan 8.280 nan 0.000 0.458 95 V N 3.086 122.980 119.914 -0.033 0.000 2.509 95 V HA 0.100 4.222 4.120 0.003 0.000 0.284 95 V C -0.175 176.029 176.094 0.183 0.000 1.047 95 V CA -0.696 61.679 62.300 0.126 0.000 0.952 95 V CB 1.440 33.373 31.823 0.183 0.000 0.988 95 V HN 0.670 nan 8.190 nan 0.000 0.469 96 D N 4.284 124.800 120.400 0.194 0.000 2.374 96 D HA 0.321 4.963 4.640 0.003 0.000 0.240 96 D C 0.098 176.521 176.300 0.205 0.000 1.229 96 D CA -0.090 54.013 54.000 0.171 0.000 0.895 96 D CB 1.171 42.107 40.800 0.226 0.000 1.046 96 D HN 0.673 nan 8.370 nan 0.000 0.498 97 A N 4.227 127.147 122.820 0.167 0.000 2.279 97 A HA 0.395 4.717 4.320 0.003 0.000 0.306 97 A C -0.137 177.524 177.584 0.128 0.000 1.300 97 A CA -0.655 51.473 52.037 0.151 0.000 0.925 97 A CB 0.552 19.539 19.000 -0.020 0.000 1.152 97 A HN 0.382 nan 8.150 nan 0.000 0.544 98 V N 5.511 125.513 119.914 0.146 0.000 2.304 98 V HA 0.196 4.317 4.120 0.003 0.000 0.262 98 V C 0.872 176.953 176.094 -0.021 0.000 1.061 98 V CA 0.265 62.602 62.300 0.061 0.000 0.872 98 V CB -0.175 31.686 31.823 0.064 0.000 1.077 98 V HN 0.882 nan 8.190 nan 0.000 0.480 99 I N 0.924 121.462 120.570 -0.054 0.000 4.240 99 I HA 0.334 4.506 4.170 0.003 0.000 0.331 99 I C 1.488 177.564 176.117 -0.067 0.000 1.381 99 I CA 0.240 61.518 61.300 -0.037 0.000 1.136 99 I CB 0.237 38.218 38.000 -0.031 0.000 1.137 99 I HN 0.484 nan 8.210 nan 0.000 0.411 100 N N 1.634 120.264 118.700 -0.116 0.000 2.354 100 N HA -0.073 4.669 4.740 0.003 0.000 0.179 100 N C 0.353 175.898 175.510 0.058 0.000 1.021 100 N CA 1.312 54.376 53.050 0.023 0.000 0.887 100 N CB 0.026 38.636 38.487 0.205 0.000 0.974 100 N HN 0.790 nan 8.380 nan 0.000 0.437 101 H N -4.197 114.910 119.070 0.062 0.000 2.960 101 H HA 0.490 5.048 4.556 0.003 0.000 0.323 101 H C -0.633 174.706 175.328 0.018 0.000 1.326 101 H CA -1.095 54.984 56.048 0.052 0.000 1.124 101 H CB 0.560 30.351 29.762 0.049 0.000 1.853 101 H HN -0.257 nan 8.280 nan 0.000 0.536 102 M N 0.389 120.077 119.600 0.147 0.000 2.492 102 M HA 0.394 4.876 4.480 0.003 0.000 0.238 102 M C 0.743 177.111 176.300 0.115 0.000 0.928 102 M CA -0.883 54.376 55.300 -0.067 0.000 1.392 102 M CB 0.624 32.912 32.600 -0.520 0.000 1.317 102 M HN 0.956 nan 8.290 nan 0.000 0.739 103 C N -0.016 119.332 119.300 0.080 0.000 2.640 103 C HA 0.694 5.155 4.460 0.003 0.000 0.330 103 C C 1.050 176.096 174.990 0.093 0.000 1.416 103 C CA -0.948 58.155 59.018 0.140 0.000 2.396 103 C CB -0.963 26.876 27.740 0.165 0.000 2.330 103 C HN 0.851 nan 8.230 nan 0.000 0.704 104 G N 0.765 109.597 108.800 0.054 0.000 2.432 104 G HA2 0.358 4.319 3.960 0.003 0.000 0.239 104 G HA3 0.358 4.319 3.960 0.003 0.000 0.239 104 G C 0.957 175.849 174.900 -0.012 0.000 1.291 104 G CA 0.380 45.479 45.100 -0.002 0.000 0.863 104 G HN 1.545 nan 8.290 nan 0.000 0.560 105 S N 1.195 116.867 115.700 -0.046 0.000 2.442 105 S HA -0.051 4.421 4.470 0.003 0.000 0.236 105 S C 2.037 176.598 174.600 -0.065 0.000 1.007 105 S CA 1.085 59.244 58.200 -0.067 0.000 0.965 105 S CB 0.052 63.205 63.200 -0.079 0.000 0.773 105 S HN 0.873 nan 8.310 nan 0.000 0.504 106 G N 0.556 109.324 108.800 -0.053 0.000 3.042 106 G HA2 0.536 4.498 3.960 0.003 0.000 0.212 106 G HA3 0.536 4.498 3.960 0.003 0.000 0.212 106 G C 0.371 175.242 174.900 -0.047 0.000 1.166 106 G CA 0.038 45.107 45.100 -0.051 0.000 0.767 106 G HN 0.772 nan 8.290 nan 0.000 0.546 107 A N 0.544 123.340 122.820 -0.040 0.000 2.498 107 A HA 0.632 4.954 4.320 0.003 0.000 0.239 107 A C 0.940 178.480 177.584 -0.074 0.000 1.068 107 A CA 0.323 52.337 52.037 -0.038 0.000 0.766 107 A CB 0.229 19.221 19.000 -0.015 0.000 1.003 107 A HN 0.934 nan 8.150 nan 0.000 0.497 108 A N 1.811 124.588 122.820 -0.072 0.000 2.445 108 A HA 0.548 4.870 4.320 0.003 0.000 0.242 108 A C 0.894 178.394 177.584 -0.141 0.000 1.075 108 A CA 0.230 52.214 52.037 -0.087 0.000 0.777 108 A CB -0.191 18.772 19.000 -0.063 0.000 1.013 108 A HN 2.161 nan 8.150 nan 0.000 0.493 109 A N 1.154 123.880 122.820 -0.157 0.000 2.407 109 A HA 0.680 5.002 4.320 0.003 0.000 0.248 109 A C 0.951 178.409 177.584 -0.211 0.000 1.082 109 A CA 0.698 52.575 52.037 -0.266 0.000 0.785 109 A CB -0.070 18.830 19.000 -0.166 0.000 1.020 109 A HN 2.729 nan 8.150 nan 0.000 0.489 110 G N -0.494 108.060 108.800 -0.410 0.000 2.302 110 G HA2 0.373 4.334 3.960 0.003 0.000 0.264 110 G HA3 0.373 4.334 3.960 0.003 0.000 0.264 110 G C 0.065 174.906 174.900 -0.098 0.000 1.335 110 G CA 0.481 45.531 45.100 -0.083 0.000 0.982 110 G HN 1.708 nan 8.290 nan 0.000 0.473 111 T N -1.983 112.594 114.554 0.039 0.000 3.248 111 T HA 0.513 4.864 4.350 0.003 0.000 0.271 111 T C 1.107 175.809 174.700 0.002 0.000 1.005 111 T CA 1.043 63.167 62.100 0.040 0.000 0.902 111 T CB 0.586 69.508 68.868 0.090 0.000 1.102 111 T HN 1.700 nan 8.240 nan 0.000 0.548 112 G N 2.483 111.267 108.800 -0.026 0.000 3.101 112 G HA2 0.455 4.417 3.960 0.003 0.000 0.272 112 G HA3 0.455 4.417 3.960 0.003 0.000 0.272 112 G C 0.123 175.008 174.900 -0.025 0.000 0.801 112 G CA -0.317 44.769 45.100 -0.024 0.000 1.978 112 G HN 0.662 nan 8.290 nan 0.000 0.591 113 T N -2.872 111.674 114.554 -0.013 0.000 2.906 113 T HA 0.475 4.826 4.350 0.003 0.000 0.295 113 T C 1.381 176.080 174.700 -0.001 0.000 1.075 113 T CA 0.086 62.182 62.100 -0.005 0.000 1.005 113 T CB 1.598 70.467 68.868 0.001 0.000 1.136 113 T HN 0.170 nan 8.240 nan 0.000 0.498 114 T N -2.488 112.065 114.554 -0.001 0.000 3.007 114 T HA -0.057 4.295 4.350 0.003 0.000 0.270 114 T C 1.464 176.169 174.700 0.009 0.000 1.107 114 T CA 0.799 62.898 62.100 -0.002 0.000 1.118 114 T CB -0.598 68.266 68.868 -0.005 0.000 0.889 114 T HN 0.672 nan 8.240 nan 0.000 0.506 115 c N 0.748 119.358 118.600 0.017 0.000 3.243 115 c HA 0.678 5.250 4.570 0.003 0.000 0.286 115 c C 2.034 176.141 174.090 0.028 0.000 1.373 115 c CA -0.102 56.242 56.329 0.026 0.000 1.749 115 c CB -1.087 41.443 42.510 0.033 0.000 2.313 115 c HN 0.905 nan 8.230 nan 0.000 0.644 116 G N 1.524 110.339 108.800 0.025 0.000 2.159 116 G HA2 -0.218 3.744 3.960 0.003 0.000 0.256 116 G HA3 -0.218 3.744 3.960 0.003 0.000 0.256 116 G C 0.232 175.162 174.900 0.050 0.000 0.977 116 G CA 0.574 45.693 45.100 0.033 0.000 0.652 116 G HN 0.566 nan 8.290 nan 0.000 0.531 117 S N -0.579 115.150 115.700 0.048 0.000 2.579 117 S HA 0.481 4.953 4.470 0.003 0.000 0.275 117 S C -0.042 174.612 174.600 0.090 0.000 1.345 117 S CA -0.210 58.032 58.200 0.071 0.000 1.031 117 S CB 0.969 64.203 63.200 0.056 0.000 0.892 117 S HN 0.580 nan 8.310 nan 0.000 0.529 118 Y N 1.533 121.826 120.300 -0.011 0.000 2.376 118 Y HA 0.539 5.090 4.550 0.003 0.000 0.325 118 Y C 0.031 175.889 175.900 -0.070 0.000 1.199 118 Y CA -0.860 57.217 58.100 -0.039 0.000 1.206 118 Y CB 0.700 39.134 38.460 -0.044 0.000 1.229 118 Y HN 0.900 nan 8.280 nan 0.000 0.480 119 C N 4.148 122.853 119.300 -0.992 0.000 3.239 119 C HA 0.550 5.011 4.460 0.003 0.000 0.329 119 C C -1.623 172.667 174.990 -1.167 0.000 1.252 119 C CA -1.072 57.407 59.018 -0.899 0.000 1.323 119 C CB 1.486 28.842 27.740 -0.639 0.000 1.663 119 C HN 0.909 nan 8.230 nan 0.000 0.487 120 N N 1.811 119.998 118.700 -0.854 0.000 2.664 120 N HA 0.439 5.181 4.740 0.003 0.000 0.257 120 N C -2.117 173.085 175.510 -0.514 0.000 1.108 120 N CA -1.775 50.950 53.050 -0.540 0.000 0.822 120 N CB 1.742 40.089 38.487 -0.235 0.000 1.199 120 N HN 0.467 nan 8.380 nan 0.000 0.529 121 P HA -0.045 nan 4.420 nan 0.000 0.215 121 P C 1.305 178.473 177.300 -0.221 0.000 1.153 121 P CA 1.236 64.160 63.100 -0.293 0.000 0.853 121 P CB 0.180 31.799 31.700 -0.135 0.000 0.788 122 G N -0.813 107.878 108.800 -0.182 0.000 2.450 122 G HA2 -0.220 3.742 3.960 0.003 0.000 0.220 122 G HA3 -0.220 3.742 3.960 0.003 0.000 0.220 122 G C 1.338 176.153 174.900 -0.142 0.000 1.130 122 G CA 0.914 45.931 45.100 -0.137 0.000 0.760 122 G HN 0.258 nan 8.290 nan 0.000 0.557 123 S N -0.297 115.304 115.700 -0.165 0.000 2.577 123 S HA 0.252 4.724 4.470 0.003 0.000 0.219 123 S C 0.924 175.431 174.600 -0.155 0.000 0.962 123 S CA -0.308 57.807 58.200 -0.141 0.000 0.921 123 S CB 0.321 63.453 63.200 -0.113 0.000 0.789 123 S HN 0.316 nan 8.310 nan 0.000 0.497 124 R N 1.738 122.108 120.500 -0.217 0.000 3.641 124 R HA -0.149 4.193 4.340 0.003 0.000 0.286 124 R C -1.045 175.281 176.300 0.042 0.000 1.153 124 R CA 0.554 56.536 56.100 -0.197 0.000 0.775 124 R CB -2.437 27.746 30.300 -0.194 0.000 1.215 124 R HN 0.559 nan 8.270 nan 0.000 0.474 125 E N 0.057 120.112 120.200 -0.242 0.000 2.109 125 E HA 0.335 4.687 4.350 0.003 0.000 0.278 125 E C -0.604 175.725 176.600 -0.452 0.000 0.954 125 E CA -0.366 55.944 56.400 -0.151 0.000 0.779 125 E CB 0.657 30.295 29.700 -0.102 0.000 1.093 125 E HN 0.076 nan 8.360 nan 0.000 0.401 126 F N 4.007 124.065 119.950 0.180 0.000 2.660 126 F HA 0.228 4.757 4.527 0.003 0.000 0.352 126 F C -1.553 174.314 175.800 0.113 0.000 1.257 126 F CA -1.842 56.241 58.000 0.137 0.000 1.200 126 F CB 1.377 40.501 39.000 0.206 0.000 1.473 126 F HN 0.371 nan 8.300 nan 0.000 0.561 127 P HA -0.195 nan 4.420 nan 0.000 0.223 127 P C 1.286 178.655 177.300 0.115 0.000 1.144 127 P CA 1.202 64.392 63.100 0.151 0.000 0.783 127 P CB 0.331 32.111 31.700 0.133 0.000 0.771 128 A N -0.539 122.348 122.820 0.111 0.000 2.167 128 A HA 0.040 4.361 4.320 0.003 0.000 0.214 128 A C 2.236 179.820 177.584 0.000 0.000 1.151 128 A CA 0.790 52.861 52.037 0.057 0.000 0.735 128 A CB -1.051 17.979 19.000 0.049 0.000 0.802 128 A HN 0.089 nan 8.150 nan 0.000 0.467 129 V N 0.561 120.453 119.914 -0.036 0.000 2.326 129 V HA 0.037 4.159 4.120 0.003 0.000 0.238 129 V C -1.347 174.683 176.094 -0.106 0.000 1.038 129 V CA 1.265 63.453 62.300 -0.186 0.000 1.032 129 V CB -0.826 30.651 31.823 -0.575 0.000 0.675 129 V HN 0.503 nan 8.190 nan 0.000 0.467 130 P HA 0.400 nan 4.420 nan 0.000 0.292 130 P C -2.033 175.358 177.300 0.151 0.000 1.300 130 P CA -0.241 62.905 63.100 0.077 0.000 0.900 130 P CB 1.752 33.544 31.700 0.154 0.000 1.139 131 Y N -0.609 119.885 120.300 0.324 0.000 2.462 131 Y HA 0.447 4.998 4.550 0.003 0.000 0.346 131 Y C 0.623 176.739 175.900 0.360 0.000 0.976 131 Y CA -0.436 57.873 58.100 0.348 0.000 1.044 131 Y CB 2.472 41.107 38.460 0.291 0.000 1.230 131 Y HN 0.309 nan 8.280 nan 0.000 0.455 132 S N 0.214 116.189 115.700 0.458 0.000 2.751 132 S HA 0.638 5.110 4.470 0.003 0.000 0.310 132 S C 0.933 175.667 174.600 0.223 0.000 1.128 132 S CA -0.222 58.086 58.200 0.180 0.000 0.931 132 S CB 1.585 64.695 63.200 -0.151 0.000 1.177 132 S HN 0.789 nan 8.310 nan 0.000 0.530 133 A N 0.296 123.078 122.820 -0.063 0.000 1.978 133 A HA -0.118 4.204 4.320 0.003 0.000 0.220 133 A C 1.352 179.053 177.584 0.196 0.000 1.170 133 A CA 1.696 53.768 52.037 0.059 0.000 0.636 133 A CB -0.861 18.045 19.000 -0.157 0.000 0.810 133 A HN 0.904 nan 8.150 nan 0.000 0.448 134 W N -0.526 120.883 121.300 0.181 0.000 3.377 134 W HA 0.352 5.014 4.660 0.003 0.000 0.277 134 W C -0.183 176.376 176.519 0.067 0.000 1.311 134 W CA -0.216 57.196 57.345 0.112 0.000 1.703 134 W CB -0.524 28.972 29.460 0.060 0.000 1.095 134 W HN 0.168 nan 8.180 nan 0.000 0.715 135 D N -0.093 120.464 120.400 0.263 0.000 2.363 135 D HA 0.099 4.741 4.640 0.003 0.000 0.214 135 D C -0.397 175.583 176.300 -0.534 0.000 1.093 135 D CA 0.249 54.203 54.000 -0.078 0.000 0.837 135 D CB -0.032 40.698 40.800 -0.118 0.000 0.948 135 D HN 0.068 nan 8.370 nan 0.000 0.507 136 F N 0.193 120.183 119.950 0.067 0.000 2.575 136 F HA 0.318 4.847 4.527 0.003 0.000 0.330 136 F C 1.412 177.251 175.800 0.065 0.000 1.056 136 F CA -1.044 56.972 58.000 0.027 0.000 0.964 136 F CB 0.826 39.839 39.000 0.023 0.000 1.258 136 F HN -0.380 nan 8.300 nan 0.000 0.484 137 N N 0.669 119.521 118.700 0.253 0.000 2.370 137 N HA -0.009 4.732 4.740 0.003 0.000 0.198 137 N C 0.501 176.106 175.510 0.158 0.000 1.156 137 N CA 0.364 53.522 53.050 0.180 0.000 0.839 137 N CB -0.388 38.199 38.487 0.166 0.000 0.989 137 N HN 0.626 nan 8.380 nan 0.000 0.468 138 D N -0.324 120.174 120.400 0.164 0.000 2.158 138 D HA -0.121 4.521 4.640 0.003 0.000 0.197 138 D C 1.799 178.156 176.300 0.095 0.000 0.995 138 D CA 1.176 55.241 54.000 0.109 0.000 0.846 138 D CB -0.153 40.701 40.800 0.089 0.000 0.941 138 D HN 0.283 nan 8.370 nan 0.000 0.456 139 G N -0.157 108.709 108.800 0.109 0.000 2.848 139 G HA2 -0.150 3.812 3.960 0.003 0.000 0.208 139 G HA3 -0.150 3.812 3.960 0.003 0.000 0.208 139 G C 1.207 176.156 174.900 0.082 0.000 1.152 139 G CA -0.002 45.151 45.100 0.090 0.000 0.789 139 G HN 0.176 nan 8.290 nan 0.000 0.531 140 K N -0.676 119.783 120.400 0.098 0.000 2.402 140 K HA 0.176 4.498 4.320 0.003 0.000 0.204 140 K C -0.057 176.610 176.600 0.112 0.000 1.056 140 K CA -0.379 55.972 56.287 0.107 0.000 1.069 140 K CB 0.366 32.948 32.500 0.137 0.000 0.888 140 K HN 0.165 nan 8.250 nan 0.000 0.546 141 c N 1.941 120.596 118.600 0.092 0.000 2.307 141 c HA 0.359 4.931 4.570 0.003 0.000 0.340 141 c C 0.990 175.111 174.090 0.052 0.000 1.275 141 c CA -0.581 55.795 56.329 0.078 0.000 1.811 141 c CB 0.426 42.974 42.510 0.063 0.000 2.372 141 c HN 0.445 nan 8.230 nan 0.000 0.531 142 K N 2.749 123.176 120.400 0.046 0.000 2.400 142 K HA 0.056 4.378 4.320 0.003 0.000 0.194 142 K C 0.938 177.549 176.600 0.018 0.000 1.033 142 K CA 0.452 56.755 56.287 0.027 0.000 1.021 142 K CB -0.139 32.374 32.500 0.021 0.000 0.808 142 K HN 0.844 nan 8.250 nan 0.000 0.505 143 T N -1.958 112.605 114.554 0.016 0.000 2.910 143 T HA 0.411 4.763 4.350 0.003 0.000 0.293 143 T C 1.323 176.025 174.700 0.004 0.000 1.015 143 T CA -0.410 61.694 62.100 0.006 0.000 1.094 143 T CB 1.847 70.713 68.868 -0.003 0.000 0.968 143 T HN 0.061 nan 8.240 nan 0.000 0.521 144 A N 2.199 125.020 122.820 0.002 0.000 1.933 144 A HA -0.020 4.301 4.320 0.003 0.000 0.218 144 A C 2.556 180.137 177.584 -0.005 0.000 1.175 144 A CA 1.786 53.822 52.037 -0.000 0.000 0.628 144 A CB -1.239 17.761 19.000 -0.001 0.000 0.814 144 A HN 1.189 nan 8.150 nan 0.000 0.444 145 S N -2.037 113.658 115.700 -0.007 0.000 2.522 145 S HA 0.330 4.802 4.470 0.003 0.000 0.227 145 S C 1.579 176.168 174.600 -0.018 0.000 0.986 145 S CA 1.192 59.384 58.200 -0.013 0.000 0.929 145 S CB -0.321 62.871 63.200 -0.013 0.000 0.769 145 S HN 1.929 nan 8.310 nan 0.000 0.529 146 G N 0.164 108.956 108.800 -0.013 0.000 2.179 146 G HA2 -0.108 3.854 3.960 0.003 0.000 0.260 146 G HA3 -0.108 3.854 3.960 0.003 0.000 0.260 146 G C 0.379 175.265 174.900 -0.023 0.000 0.977 146 G CA 0.056 45.149 45.100 -0.012 0.000 0.641 146 G HN 1.161 nan 8.290 nan 0.000 0.533 147 G N -0.912 107.867 108.800 -0.035 0.000 2.667 147 G HA2 0.672 4.634 3.960 0.003 0.000 0.310 147 G HA3 0.672 4.634 3.960 0.003 0.000 0.310 147 G C -0.008 174.836 174.900 -0.092 0.000 1.259 147 G CA -1.026 44.037 45.100 -0.061 0.000 1.019 147 G HN 0.623 nan 8.290 nan 0.000 0.496 148 I N 0.735 121.200 120.570 -0.175 0.000 2.517 148 I HA 0.097 4.268 4.170 0.003 0.000 0.285 148 I C 0.850 176.813 176.117 -0.256 0.000 1.106 148 I CA 0.346 61.445 61.300 -0.334 0.000 1.402 148 I CB 1.022 38.582 38.000 -0.733 0.000 1.399 148 I HN 0.700 nan 8.210 nan 0.000 0.535 149 E N 2.738 122.853 120.200 -0.142 0.000 2.228 149 E HA 0.029 4.381 4.350 0.003 0.000 0.197 149 E C 0.479 177.114 176.600 0.059 0.000 0.909 149 E CA 0.176 56.574 56.400 -0.003 0.000 0.911 149 E CB 0.529 30.232 29.700 0.004 0.000 0.887 149 E HN 0.525 nan 8.360 nan 0.000 0.481 150 S N 0.048 115.752 115.700 0.007 0.000 2.461 150 S HA 0.189 4.660 4.470 0.003 0.000 0.322 150 S C -0.230 174.396 174.600 0.043 0.000 1.063 150 S CA -0.540 57.702 58.200 0.071 0.000 1.120 150 S CB 0.059 63.288 63.200 0.050 0.000 0.968 150 S HN 0.189 nan 8.310 nan 0.000 0.467 151 Y N 3.502 123.813 120.300 0.017 0.000 2.553 151 Y HA 0.169 4.721 4.550 0.003 0.000 0.303 151 Y C 1.688 177.588 175.900 0.001 0.000 1.194 151 Y CA -0.068 58.040 58.100 0.013 0.000 1.305 151 Y CB 0.113 38.580 38.460 0.012 0.000 1.045 151 Y HN 0.600 nan 8.280 nan 0.000 0.514 152 N N -0.274 118.497 118.700 0.119 0.000 2.236 152 N HA -0.036 4.706 4.740 0.003 0.000 0.196 152 N C -0.531 175.009 175.510 0.050 0.000 1.114 152 N CA 0.401 53.495 53.050 0.074 0.000 0.859 152 N CB 0.342 38.870 38.487 0.068 0.000 0.982 152 N HN 0.232 nan 8.380 nan 0.000 0.493 153 D N 0.599 121.025 120.400 0.043 0.000 2.414 153 D HA 0.277 4.919 4.640 0.003 0.000 0.232 153 D C -1.895 174.419 176.300 0.023 0.000 1.070 153 D CA -2.229 51.813 54.000 0.070 0.000 0.839 153 D CB 2.012 42.871 40.800 0.099 0.000 1.079 153 D HN -0.124 nan 8.370 nan 0.000 0.521 154 P HA -0.147 nan 4.420 nan 0.000 0.217 154 P C 0.754 177.878 177.300 -0.293 0.000 1.148 154 P CA 1.121 64.082 63.100 -0.232 0.000 0.828 154 P CB 0.039 31.558 31.700 -0.301 0.000 0.783 155 Y N -0.330 119.998 120.300 0.046 0.000 2.242 155 Y HA -0.151 4.401 4.550 0.003 0.000 0.291 155 Y C 2.635 178.569 175.900 0.058 0.000 1.137 155 Y CA 1.327 59.525 58.100 0.163 0.000 1.181 155 Y CB -0.811 37.772 38.460 0.205 0.000 0.989 155 Y HN 0.024 nan 8.280 nan 0.000 0.527 156 Q N -0.622 119.258 119.800 0.134 0.000 2.083 156 Q HA -0.139 4.202 4.340 0.003 0.000 0.198 156 Q C 2.507 178.468 176.000 -0.065 0.000 0.969 156 Q CA 1.713 57.532 55.803 0.026 0.000 0.838 156 Q CB -0.323 28.398 28.738 -0.029 0.000 0.900 156 Q HN 0.501 nan 8.270 nan 0.000 0.436 157 V N -0.582 119.262 119.914 -0.117 0.000 2.809 157 V HA -0.149 3.973 4.120 0.003 0.000 0.256 157 V C 1.634 177.705 176.094 -0.038 0.000 1.080 157 V CA 1.425 63.662 62.300 -0.105 0.000 1.102 157 V CB -0.197 31.548 31.823 -0.130 0.000 0.705 157 V HN 0.209 nan 8.190 nan 0.000 0.475 158 R N -0.499 119.890 120.500 -0.185 0.000 2.206 158 R HA 0.163 4.505 4.340 0.003 0.000 0.198 158 R C 1.436 177.742 176.300 0.011 0.000 0.986 158 R CA 0.971 56.926 56.100 -0.241 0.000 1.029 158 R CB 0.049 29.801 30.300 -0.914 0.000 0.966 158 R HN 0.474 nan 8.270 nan 0.000 0.487 159 D N -0.816 119.651 120.400 0.113 0.000 2.417 159 D HA 0.089 4.731 4.640 0.003 0.000 0.207 159 D C 0.229 176.604 176.300 0.124 0.000 1.075 159 D CA 0.244 54.363 54.000 0.198 0.000 0.851 159 D CB 0.383 41.365 40.800 0.305 0.000 0.976 159 D HN 0.066 nan 8.370 nan 0.000 0.505 160 c N 0.858 119.496 118.600 0.063 0.000 2.354 160 c HA 0.405 4.976 4.570 0.003 0.000 0.381 160 c C 0.410 174.493 174.090 -0.011 0.000 1.240 160 c CA -0.845 55.497 56.329 0.022 0.000 2.089 160 c CB 1.181 43.680 42.510 -0.018 0.000 2.234 160 c HN 0.139 nan 8.230 nan 0.000 0.544 161 Q N 1.072 120.854 119.800 -0.032 0.000 2.296 161 Q HA 0.276 4.617 4.340 0.003 0.000 0.262 161 Q C -0.435 175.483 176.000 -0.137 0.000 0.981 161 Q CA 0.094 55.858 55.803 -0.065 0.000 0.905 161 Q CB 0.562 29.268 28.738 -0.054 0.000 1.186 161 Q HN 0.554 nan 8.270 nan 0.000 0.399 162 L N 4.932 126.024 121.223 -0.218 0.000 2.456 162 L HA -0.005 4.337 4.340 0.003 0.000 0.277 162 L C 0.264 177.007 176.870 -0.211 0.000 1.124 162 L CA -0.151 54.505 54.840 -0.306 0.000 0.880 162 L CB 0.188 41.906 42.059 -0.569 0.000 1.192 162 L HN 0.799 nan 8.230 nan 0.000 0.463 163 V N 2.487 122.331 119.914 -0.116 0.000 5.257 163 V HA -0.288 3.834 4.120 0.003 0.000 0.265 163 V C 1.105 177.129 176.094 -0.118 0.000 0.646 163 V CA 0.926 63.168 62.300 -0.096 0.000 0.650 163 V CB -2.648 29.111 31.823 -0.106 0.000 0.424 163 V HN 1.383 nan 8.190 nan 0.000 0.862 164 G N -0.550 108.187 108.800 -0.105 0.000 2.179 164 G HA2 -0.261 3.701 3.960 0.003 0.000 0.260 164 G HA3 -0.261 3.701 3.960 0.003 0.000 0.260 164 G C 0.065 174.906 174.900 -0.098 0.000 0.977 164 G CA 0.157 45.202 45.100 -0.092 0.000 0.641 164 G HN 1.317 nan 8.290 nan 0.000 0.533 165 L N 1.249 122.386 121.223 -0.142 0.000 2.477 165 L HA 0.286 4.628 4.340 0.003 0.000 0.272 165 L C 1.308 178.154 176.870 -0.039 0.000 1.157 165 L CA -0.470 54.283 54.840 -0.144 0.000 0.889 165 L CB 0.584 42.392 42.059 -0.417 0.000 1.158 165 L HN 0.093 nan 8.230 nan 0.000 0.473 166 L N 3.691 124.917 121.223 0.006 0.000 2.615 166 L HA -0.045 4.296 4.340 0.003 0.000 0.271 166 L C 0.303 177.312 176.870 0.231 0.000 1.183 166 L CA 0.193 55.034 54.840 0.001 0.000 0.933 166 L CB -0.077 41.835 42.059 -0.244 0.000 1.199 166 L HN 0.552 nan 8.230 nan 0.000 0.487 167 D N 3.386 123.934 120.400 0.247 0.000 2.325 167 D HA 0.242 4.883 4.640 0.003 0.000 0.251 167 D C -0.317 176.160 176.300 0.295 0.000 1.196 167 D CA -0.479 53.673 54.000 0.254 0.000 0.866 167 D CB 0.780 41.674 40.800 0.157 0.000 1.101 167 D HN 0.107 nan 8.370 nan 0.000 0.476 168 L N 2.938 124.221 121.223 0.099 0.000 2.453 168 L HA 0.264 4.605 4.340 0.003 0.000 0.272 168 L C 0.432 177.241 176.870 -0.102 0.000 1.182 168 L CA -0.260 54.445 54.840 -0.225 0.000 0.858 168 L CB 0.375 42.262 42.059 -0.286 0.000 1.120 168 L HN 0.529 nan 8.230 nan 0.000 0.474 169 A N 5.869 128.590 122.820 -0.165 0.000 2.981 169 A HA 0.203 4.525 4.320 0.003 0.000 0.280 169 A C 1.202 178.781 177.584 -0.008 0.000 1.743 169 A CA -0.200 51.825 52.037 -0.021 0.000 1.430 169 A CB -0.878 18.123 19.000 0.002 0.000 1.085 169 A HN 0.828 nan 8.150 nan 0.000 0.597 170 L N 0.764 122.006 121.223 0.032 0.000 2.633 170 L HA -0.112 4.230 4.340 0.003 0.000 0.235 170 L C 2.512 179.414 176.870 0.054 0.000 1.163 170 L CA 1.029 55.895 54.840 0.045 0.000 0.859 170 L CB -0.007 42.103 42.059 0.085 0.000 0.973 170 L HN 0.856 nan 8.230 nan 0.000 0.451 171 E N 0.324 120.555 120.200 0.051 0.000 2.340 171 E HA -0.055 4.297 4.350 0.003 0.000 0.194 171 E C 0.286 176.898 176.600 0.020 0.000 0.996 171 E CA 0.087 56.501 56.400 0.024 0.000 0.869 171 E CB 0.117 29.816 29.700 -0.001 0.000 0.835 171 E HN 0.334 nan 8.360 nan 0.000 0.493 172 K N 1.527 121.948 120.400 0.035 0.000 2.350 172 K HA 0.032 4.353 4.320 0.003 0.000 0.279 172 K C 0.194 176.831 176.600 0.062 0.000 1.027 172 K CA 0.253 56.572 56.287 0.054 0.000 0.969 172 K CB 1.032 33.585 32.500 0.088 0.000 0.954 172 K HN -0.073 nan 8.250 nan 0.000 0.474 173 D N 1.548 121.987 120.400 0.065 0.000 2.178 173 D HA -0.207 4.435 4.640 0.003 0.000 0.202 173 D C 1.472 177.823 176.300 0.085 0.000 0.974 173 D CA 1.168 55.201 54.000 0.056 0.000 0.841 173 D CB 0.079 40.908 40.800 0.048 0.000 0.953 173 D HN 0.613 nan 8.370 nan 0.000 0.478 174 Y N 0.311 120.628 120.300 0.029 0.000 2.145 174 Y HA -0.175 4.377 4.550 0.003 0.000 0.286 174 Y C 2.014 177.972 175.900 0.095 0.000 1.145 174 Y CA 1.378 59.513 58.100 0.058 0.000 1.148 174 Y CB -0.472 38.034 38.460 0.077 0.000 0.981 174 Y HN -0.082 nan 8.280 nan 0.000 0.507 175 V N 0.410 120.372 119.914 0.080 0.000 2.358 175 V HA -0.268 3.854 4.120 0.003 0.000 0.246 175 V C 2.368 178.442 176.094 -0.033 0.000 1.047 175 V CA 2.215 64.538 62.300 0.039 0.000 1.035 175 V CB -0.611 31.221 31.823 0.015 0.000 0.658 175 V HN 0.264 nan 8.190 nan 0.000 0.452 176 R N 0.078 120.560 120.500 -0.030 0.000 2.120 176 R HA -0.114 4.228 4.340 0.003 0.000 0.234 176 R C 2.522 178.764 176.300 -0.096 0.000 1.123 176 R CA 1.680 57.749 56.100 -0.052 0.000 0.975 176 R CB -0.381 29.903 30.300 -0.027 0.000 0.866 176 R HN 0.456 nan 8.270 nan 0.000 0.446 177 S N 0.036 115.668 115.700 -0.113 0.000 2.395 177 S HA -0.078 4.394 4.470 0.003 0.000 0.225 177 S C 1.664 176.143 174.600 -0.202 0.000 1.027 177 S CA 0.790 58.908 58.200 -0.138 0.000 0.965 177 S CB -0.059 63.080 63.200 -0.101 0.000 0.812 177 S HN 0.140 nan 8.310 nan 0.000 0.482 178 M N 1.726 121.157 119.600 -0.282 0.000 2.117 178 M HA 0.070 4.552 4.480 0.003 0.000 0.262 178 M C 1.641 177.767 176.300 -0.289 0.000 1.065 178 M CA 1.430 56.550 55.300 -0.301 0.000 1.114 178 M CB -0.567 31.816 32.600 -0.362 0.000 1.361 178 M HN 0.252 nan 8.290 nan 0.000 0.408 179 I N -0.692 119.731 120.570 -0.244 0.000 2.202 179 I HA -0.224 3.948 4.170 0.003 0.000 0.242 179 I C 2.296 178.240 176.117 -0.289 0.000 1.091 179 I CA 1.127 62.233 61.300 -0.323 0.000 1.368 179 I CB -0.655 37.234 38.000 -0.184 0.000 1.058 179 I HN 0.315 nan 8.210 nan 0.000 0.410 180 A N 0.275 122.953 122.820 -0.237 0.000 1.972 180 A HA -0.231 4.091 4.320 0.003 0.000 0.219 180 A C 1.881 179.309 177.584 -0.261 0.000 1.169 180 A CA 1.965 53.852 52.037 -0.251 0.000 0.635 180 A CB -0.538 18.347 19.000 -0.192 0.000 0.810 180 A HN 0.333 nan 8.150 nan 0.000 0.446 181 D N -1.725 118.547 120.400 -0.212 0.000 2.144 181 D HA -0.140 4.502 4.640 0.003 0.000 0.200 181 D C 1.639 177.851 176.300 -0.147 0.000 0.978 181 D CA 1.481 55.383 54.000 -0.163 0.000 0.833 181 D CB -0.419 40.311 40.800 -0.117 0.000 0.961 181 D HN 0.711 nan 8.370 nan 0.000 0.470 182 Y N 1.191 121.279 120.300 -0.353 0.000 2.163 182 Y HA -0.151 4.401 4.550 0.003 0.000 0.288 182 Y C 2.106 177.836 175.900 -0.283 0.000 1.136 182 Y CA 1.265 59.150 58.100 -0.359 0.000 1.147 182 Y CB -0.213 37.826 38.460 -0.702 0.000 0.987 182 Y HN -0.114 nan 8.280 nan 0.000 0.509 183 L N 0.569 121.428 121.223 -0.607 0.000 2.083 183 L HA -0.237 4.104 4.340 0.003 0.000 0.209 183 L C 2.053 178.727 176.870 -0.326 0.000 1.083 183 L CA 1.168 55.588 54.840 -0.701 0.000 0.752 183 L CB -0.688 40.862 42.059 -0.848 0.000 0.899 183 L HN 0.342 nan 8.230 nan 0.000 0.433 184 N N 0.335 118.845 118.700 -0.317 0.000 2.270 184 N HA -0.169 4.573 4.740 0.003 0.000 0.181 184 N C 1.773 177.211 175.510 -0.121 0.000 1.016 184 N CA 0.981 53.855 53.050 -0.295 0.000 0.870 184 N CB -0.052 38.091 38.487 -0.574 0.000 0.979 184 N HN 0.334 nan 8.380 nan 0.000 0.431 185 K N 0.603 120.938 120.400 -0.108 0.000 2.026 185 K HA -0.094 4.228 4.320 0.003 0.000 0.208 185 K C 1.643 178.241 176.600 -0.003 0.000 1.048 185 K CA 0.904 57.177 56.287 -0.023 0.000 0.929 185 K CB -0.005 32.489 32.500 -0.010 0.000 0.713 185 K HN -0.075 nan 8.250 nan 0.000 0.439 186 L N 1.412 122.592 121.223 -0.071 0.000 2.046 186 L HA -0.193 4.149 4.340 0.003 0.000 0.208 186 L C 2.298 179.205 176.870 0.063 0.000 1.077 186 L CA 1.276 56.120 54.840 0.007 0.000 0.747 186 L CB -0.604 41.432 42.059 -0.038 0.000 0.896 186 L HN 0.268 nan 8.230 nan 0.000 0.432 187 I N -0.210 120.401 120.570 0.068 0.000 2.226 187 I HA -0.265 3.907 4.170 0.003 0.000 0.245 187 I C 2.061 178.236 176.117 0.096 0.000 1.100 187 I CA 1.335 62.666 61.300 0.052 0.000 1.374 187 I CB -1.125 36.910 38.000 0.059 0.000 1.057 187 I HN 0.290 nan 8.210 nan 0.000 0.413 188 D N 0.698 121.168 120.400 0.117 0.000 2.178 188 D HA -0.122 4.519 4.640 0.003 0.000 0.201 188 D C 2.292 178.692 176.300 0.167 0.000 0.980 188 D CA 0.985 55.073 54.000 0.147 0.000 0.842 188 D CB -0.134 40.750 40.800 0.140 0.000 0.948 188 D HN 0.342 nan 8.370 nan 0.000 0.472 189 I N -0.515 120.148 120.570 0.154 0.000 2.493 189 I HA -0.060 4.112 4.170 0.003 0.000 0.254 189 I C 1.650 177.889 176.117 0.202 0.000 1.160 189 I CA 1.191 62.596 61.300 0.176 0.000 1.445 189 I CB 0.134 38.250 38.000 0.193 0.000 1.086 189 I HN 0.175 nan 8.210 nan 0.000 0.433 190 G N -0.119 108.783 108.800 0.170 0.000 2.321 190 G HA2 -0.140 3.822 3.960 0.003 0.000 0.174 190 G HA3 -0.140 3.822 3.960 0.003 0.000 0.174 190 G C 0.151 175.021 174.900 -0.049 0.000 1.008 190 G CA -0.436 44.758 45.100 0.156 0.000 0.739 190 G HN 0.024 nan 8.290 nan 0.000 0.502 191 V N 1.287 121.132 119.914 -0.114 0.000 2.740 191 V HA 0.440 4.562 4.120 0.003 0.000 0.303 191 V C 1.665 177.530 176.094 -0.382 0.000 1.054 191 V CA 1.134 63.260 62.300 -0.289 0.000 1.106 191 V CB 1.507 33.151 31.823 -0.298 0.000 0.957 191 V HN 0.804 nan 8.190 nan 0.000 0.486 192 A N 3.065 125.571 122.820 -0.522 0.000 2.220 192 A HA 0.655 4.977 4.320 0.003 0.000 0.211 192 A C 0.922 178.281 177.584 -0.375 0.000 1.176 192 A CA 0.807 52.526 52.037 -0.530 0.000 0.834 192 A CB -0.028 18.734 19.000 -0.396 0.000 0.868 192 A HN 1.348 nan 8.150 nan 0.000 0.488 193 G N -1.976 106.505 108.800 -0.532 0.000 2.321 193 G HA2 0.469 4.430 3.960 0.003 0.000 0.296 193 G HA3 0.469 4.430 3.960 0.003 0.000 0.296 193 G C -1.559 172.853 174.900 -0.814 0.000 1.287 193 G CA -0.735 44.152 45.100 -0.355 0.000 0.846 193 G HN 0.223 nan 8.290 nan 0.000 0.508 194 F N -0.478 119.438 119.950 -0.057 0.000 2.613 194 F HA 0.699 5.228 4.527 0.003 0.000 0.310 194 F C 0.240 175.556 175.800 -0.807 0.000 1.085 194 F CA -0.885 56.946 58.000 -0.282 0.000 0.945 194 F CB 2.503 41.360 39.000 -0.240 0.000 1.298 194 F HN 0.505 nan 8.300 nan 0.000 0.455 195 R N 3.044 123.138 120.500 -0.676 0.000 2.229 195 R HA 0.584 4.925 4.340 0.003 0.000 0.328 195 R C -1.265 174.833 176.300 -0.337 0.000 1.009 195 R CA -0.316 55.151 56.100 -1.056 0.000 0.864 195 R CB 0.466 30.377 30.300 -0.648 0.000 1.085 195 R HN 0.775 nan 8.270 nan 0.000 0.453 196 I N 4.607 125.022 120.570 -0.259 0.000 2.281 196 I HA 0.053 4.225 4.170 0.003 0.000 0.293 196 I C 0.182 176.292 176.117 -0.011 0.000 1.085 196 I CA -0.485 60.760 61.300 -0.092 0.000 1.257 196 I CB 0.799 38.755 38.000 -0.075 0.000 1.430 196 I HN 0.651 nan 8.210 nan 0.000 0.489 197 D N 5.598 126.037 120.400 0.065 0.000 2.423 197 D HA 0.222 4.863 4.640 0.003 0.000 0.238 197 D C 0.973 177.364 176.300 0.151 0.000 1.142 197 D CA 0.508 54.604 54.000 0.159 0.000 0.884 197 D CB 0.807 41.780 40.800 0.289 0.000 1.199 197 D HN 0.766 nan 8.370 nan 0.000 0.438 198 A N 2.547 125.477 122.820 0.182 0.000 2.704 198 A HA -0.246 4.075 4.320 0.003 0.000 0.299 198 A C 1.808 179.468 177.584 0.126 0.000 1.507 198 A CA 1.218 53.397 52.037 0.236 0.000 0.776 198 A CB -2.079 17.149 19.000 0.380 0.000 1.027 198 A HN 0.446 nan 8.150 nan 0.000 0.475 199 S N -0.552 115.138 115.700 -0.017 0.000 2.399 199 S HA -0.167 4.304 4.470 0.003 0.000 0.231 199 S C 1.844 176.307 174.600 -0.228 0.000 1.022 199 S CA 1.512 59.636 58.200 -0.126 0.000 0.983 199 S CB -0.154 62.875 63.200 -0.285 0.000 0.803 199 S HN 0.888 nan 8.310 nan 0.000 0.480 200 K N 0.764 120.964 120.400 -0.334 0.000 2.211 200 K HA -0.162 4.160 4.320 0.003 0.000 0.204 200 K C 0.964 177.317 176.600 -0.410 0.000 1.047 200 K CA 1.408 57.467 56.287 -0.380 0.000 0.935 200 K CB -0.153 32.071 32.500 -0.460 0.000 0.728 200 K HN 0.482 nan 8.250 nan 0.000 0.452 201 H N -0.677 118.362 119.070 -0.052 0.000 2.533 201 H HA 0.223 4.781 4.556 0.003 0.000 0.271 201 H C -0.183 175.093 175.328 -0.087 0.000 1.000 201 H CA 0.037 56.044 56.048 -0.069 0.000 1.149 201 H CB 0.194 29.957 29.762 0.002 0.000 1.375 201 H HN 0.068 nan 8.280 nan 0.000 0.582 202 M N -0.683 118.909 119.600 -0.013 0.000 2.644 202 M HA 0.227 4.709 4.480 0.003 0.000 0.304 202 M C -1.190 175.073 176.300 -0.062 0.000 1.215 202 M CA -0.878 54.426 55.300 0.007 0.000 0.871 202 M CB 2.283 34.955 32.600 0.119 0.000 1.740 202 M HN 0.104 nan 8.290 nan 0.000 0.464 203 W N 1.611 122.937 121.300 0.044 0.000 2.238 203 W HA 0.275 4.937 4.660 0.003 0.000 0.321 203 W C -1.822 174.663 176.519 -0.057 0.000 1.293 203 W CA -1.003 56.318 57.345 -0.039 0.000 1.204 203 W CB -0.171 29.255 29.460 -0.057 0.000 1.167 203 W HN 0.469 nan 8.180 nan 0.000 0.553 204 P HA -0.206 nan 4.420 nan 0.000 0.216 204 P C 1.690 179.000 177.300 0.015 0.000 1.150 204 P CA 2.380 65.389 63.100 -0.152 0.000 0.843 204 P CB 0.134 31.577 31.700 -0.429 0.000 0.787 205 G N -0.705 108.134 108.800 0.064 0.000 2.422 205 G HA2 -0.203 3.759 3.960 0.003 0.000 0.218 205 G HA3 -0.203 3.759 3.960 0.003 0.000 0.218 205 G C 1.192 176.125 174.900 0.054 0.000 1.140 205 G CA 0.659 45.785 45.100 0.043 0.000 0.775 205 G HN 0.185 nan 8.290 nan 0.000 0.545 206 D N 0.532 120.997 120.400 0.109 0.000 2.149 206 D HA -0.002 4.640 4.640 0.003 0.000 0.201 206 D C 2.562 178.900 176.300 0.063 0.000 0.972 206 D CA 0.225 54.279 54.000 0.090 0.000 0.835 206 D CB -0.043 40.847 40.800 0.151 0.000 0.966 206 D HN 0.344 nan 8.370 nan 0.000 0.476 207 I N 0.648 121.269 120.570 0.085 0.000 2.179 207 I HA -0.270 3.901 4.170 0.003 0.000 0.242 207 I C 2.319 178.450 176.117 0.024 0.000 1.088 207 I CA 0.935 62.270 61.300 0.059 0.000 1.357 207 I CB -0.114 37.954 38.000 0.113 0.000 1.051 207 I HN -0.091 nan 8.210 nan 0.000 0.409 208 K N 1.656 122.076 120.400 0.032 0.000 2.032 208 K HA -0.165 4.157 4.320 0.003 0.000 0.209 208 K C 2.074 178.672 176.600 -0.003 0.000 1.048 208 K CA 1.879 58.174 56.287 0.013 0.000 0.927 208 K CB -0.528 31.983 32.500 0.018 0.000 0.712 208 K HN 0.289 nan 8.250 nan 0.000 0.441 209 A N -0.068 122.753 122.820 0.000 0.000 1.908 209 A HA -0.139 4.183 4.320 0.003 0.000 0.218 209 A C 2.336 179.903 177.584 -0.028 0.000 1.181 209 A CA 2.018 54.049 52.037 -0.010 0.000 0.627 209 A CB -0.774 18.223 19.000 -0.004 0.000 0.818 209 A HN 0.143 nan 8.150 nan 0.000 0.445 210 V N -0.545 119.346 119.914 -0.038 0.000 2.323 210 V HA -0.185 3.937 4.120 0.003 0.000 0.244 210 V C 2.454 178.491 176.094 -0.096 0.000 1.041 210 V CA 1.669 63.924 62.300 -0.075 0.000 1.025 210 V CB -0.723 31.046 31.823 -0.091 0.000 0.656 210 V HN 0.462 nan 8.190 nan 0.000 0.451 211 L N 0.204 121.380 121.223 -0.077 0.000 2.083 211 L HA -0.166 4.176 4.340 0.003 0.000 0.209 211 L C 2.058 178.894 176.870 -0.056 0.000 1.083 211 L CA 1.803 56.597 54.840 -0.077 0.000 0.752 211 L CB -1.097 40.930 42.059 -0.053 0.000 0.899 211 L HN 0.341 nan 8.230 nan 0.000 0.433 212 D N -0.572 119.805 120.400 -0.038 0.000 2.310 212 D HA -0.133 4.508 4.640 0.003 0.000 0.212 212 D C 1.896 178.183 176.300 -0.022 0.000 0.965 212 D CA 0.728 54.715 54.000 -0.022 0.000 0.879 212 D CB 0.038 40.831 40.800 -0.012 0.000 0.921 212 D HN 0.356 nan 8.370 nan 0.000 0.510 213 K N -0.134 120.239 120.400 -0.045 0.000 2.426 213 K HA 0.129 4.451 4.320 0.003 0.000 0.193 213 K C 0.622 177.177 176.600 -0.075 0.000 1.028 213 K CA -0.020 56.238 56.287 -0.048 0.000 1.047 213 K CB 0.528 32.982 32.500 -0.076 0.000 0.821 213 K HN 0.105 nan 8.250 nan 0.000 0.513 214 L N 1.710 122.881 121.223 -0.086 0.000 2.380 214 L HA 0.117 4.458 4.340 0.003 0.000 0.273 214 L C 0.515 177.391 176.870 0.009 0.000 1.138 214 L CA -0.274 54.497 54.840 -0.115 0.000 0.832 214 L CB 0.306 42.314 42.059 -0.085 0.000 1.124 214 L HN 0.204 nan 8.230 nan 0.000 0.454 215 H N 1.330 120.388 119.070 -0.020 0.000 2.671 215 H HA 0.127 4.685 4.556 0.003 0.000 0.372 215 H C -0.070 175.248 175.328 -0.017 0.000 1.227 215 H CA -1.017 55.023 56.048 -0.013 0.000 1.426 215 H CB 0.620 30.378 29.762 -0.007 0.000 1.480 215 H HN 0.535 nan 8.280 nan 0.000 0.611 216 N N 0.646 119.420 118.700 0.123 0.000 2.399 216 N HA 0.051 4.792 4.740 0.003 0.000 0.250 216 N C -0.003 175.523 175.510 0.026 0.000 1.272 216 N CA -0.245 52.830 53.050 0.042 0.000 0.928 216 N CB 0.588 39.091 38.487 0.027 0.000 1.158 216 N HN 0.315 nan 8.380 nan 0.000 0.463 217 L N 0.888 122.073 121.223 -0.063 0.000 2.476 217 L HA 0.054 4.396 4.340 0.003 0.000 0.264 217 L C 1.267 178.187 176.870 0.083 0.000 1.224 217 L CA -0.330 54.427 54.840 -0.138 0.000 0.821 217 L CB 0.093 41.768 42.059 -0.641 0.000 1.101 217 L HN 0.479 nan 8.230 nan 0.000 0.488 218 N N 0.945 119.782 118.700 0.228 0.000 2.434 218 N HA -0.059 4.682 4.740 0.003 0.000 0.268 218 N C 0.918 176.627 175.510 0.331 0.000 1.256 218 N CA 0.216 53.450 53.050 0.306 0.000 0.914 218 N CB 1.086 39.838 38.487 0.442 0.000 1.088 218 N HN 0.664 nan 8.380 nan 0.000 0.478 219 T N 0.843 115.473 114.554 0.127 0.000 3.155 219 T HA -0.036 4.315 4.350 0.003 0.000 0.264 219 T C 1.173 175.818 174.700 -0.092 0.000 1.160 219 T CA 0.457 62.593 62.100 0.058 0.000 1.075 219 T CB -0.034 68.840 68.868 0.010 0.000 0.921 219 T HN 0.360 nan 8.240 nan 0.000 0.533 220 N N 0.474 119.011 118.700 -0.273 0.000 2.289 220 N HA -0.015 4.727 4.740 0.003 0.000 0.184 220 N C 0.929 175.980 175.510 -0.764 0.000 1.016 220 N CA 1.047 53.680 53.050 -0.694 0.000 0.872 220 N CB -0.159 37.517 38.487 -1.351 0.000 0.973 220 N HN 0.667 nan 8.380 nan 0.000 0.433 221 W N -1.635 119.597 121.300 -0.113 0.000 2.782 221 W HA 0.315 4.976 4.660 0.001 0.000 0.268 221 W C -0.398 175.816 176.519 -0.509 0.000 1.043 221 W CA -0.297 56.829 57.345 -0.365 0.000 1.387 221 W CB -0.003 29.091 29.460 -0.610 0.000 0.904 221 W HN -0.168 nan 8.180 nan 0.000 0.625 222 F N 2.316 122.372 119.950 0.178 0.000 2.507 222 F HA 0.491 5.020 4.527 0.004 0.000 0.327 222 F C -1.683 174.145 175.800 0.045 0.000 1.068 222 F CA -2.710 55.349 58.000 0.098 0.000 0.965 222 F CB 0.159 39.212 39.000 0.088 0.000 1.192 222 F HN -0.459 nan 8.300 nan 0.000 0.476 223 P HA 0.114 nan 4.420 nan 0.000 0.269 223 P C -0.771 176.596 177.300 0.111 0.000 1.215 223 P CA -0.286 62.884 63.100 0.117 0.000 0.780 223 P CB 0.566 32.321 31.700 0.090 0.000 0.898 224 A N 1.491 124.350 122.820 0.065 0.000 2.531 224 A HA 0.406 4.728 4.320 0.003 0.000 0.236 224 A C 1.427 179.038 177.584 0.044 0.000 1.062 224 A CA 0.672 52.737 52.037 0.048 0.000 0.760 224 A CB -1.399 17.616 19.000 0.025 0.000 0.995 224 A HN 0.935 nan 8.150 nan 0.000 0.501 225 G N 1.491 110.312 108.800 0.035 0.000 2.147 225 G HA2 -0.170 3.792 3.960 0.003 0.000 0.244 225 G HA3 -0.170 3.792 3.960 0.003 0.000 0.244 225 G C 0.305 175.220 174.900 0.025 0.000 1.005 225 G CA 0.307 45.423 45.100 0.026 0.000 0.713 225 G HN 1.132 nan 8.290 nan 0.000 0.515 226 S N -0.343 115.372 115.700 0.026 0.000 2.523 226 S HA 0.615 5.087 4.470 0.003 0.000 0.275 226 S C 0.552 175.123 174.600 -0.047 0.000 1.281 226 S CA -0.386 57.812 58.200 -0.003 0.000 1.050 226 S CB 1.426 64.626 63.200 -0.000 0.000 0.937 226 S HN 0.519 nan 8.310 nan 0.000 0.492 227 R N 3.726 124.203 120.500 -0.038 0.000 2.368 227 R HA 0.419 4.760 4.340 0.003 0.000 0.302 227 R C -2.469 173.800 176.300 -0.051 0.000 1.002 227 R CA -1.926 54.153 56.100 -0.035 0.000 0.929 227 R CB 0.565 30.855 30.300 -0.017 0.000 1.073 227 R HN 0.334 nan 8.270 nan 0.000 0.464 228 P HA -0.063 nan 4.420 nan 0.000 0.268 228 P C -0.685 176.673 177.300 0.096 0.000 1.205 228 P CA 0.110 63.199 63.100 -0.018 0.000 0.771 228 P CB 0.413 32.142 31.700 0.049 0.000 0.858 229 F N 4.006 123.937 119.950 -0.031 0.000 2.495 229 F HA 0.269 4.798 4.527 0.003 0.000 0.365 229 F C -0.121 175.726 175.800 0.079 0.000 1.090 229 F CA -0.502 57.508 58.000 0.017 0.000 1.235 229 F CB 0.374 39.422 39.000 0.079 0.000 1.119 229 F HN 0.097 nan 8.300 nan 0.000 0.562 230 I N 8.486 128.882 120.570 -0.290 0.000 2.447 230 I HA 0.251 4.423 4.170 0.003 0.000 0.287 230 I C -0.930 174.936 176.117 -0.418 0.000 1.023 230 I CA -0.690 60.417 61.300 -0.322 0.000 1.083 230 I CB 1.136 39.057 38.000 -0.133 0.000 1.245 230 I HN 0.526 nan 8.210 nan 0.000 0.434 231 F N 3.674 123.293 119.950 -0.551 0.000 2.507 231 F HA 0.685 5.213 4.527 0.003 0.000 0.328 231 F C -0.283 175.433 175.800 -0.140 0.000 1.136 231 F CA -0.901 56.881 58.000 -0.364 0.000 0.930 231 F CB 1.063 39.806 39.000 -0.429 0.000 1.166 231 F HN 0.350 nan 8.300 nan 0.000 0.436 232 Q N 2.714 122.551 119.800 0.062 0.000 2.256 232 Q HA 0.182 4.524 4.340 0.003 0.000 0.254 232 Q C -0.511 175.523 176.000 0.057 0.000 0.916 232 Q CA -0.652 55.155 55.803 0.006 0.000 0.932 232 Q CB 2.067 30.804 28.738 -0.003 0.000 1.207 232 Q HN 0.707 nan 8.270 nan 0.000 0.426 233 E N 3.148 123.376 120.200 0.048 0.000 2.070 233 E HA 0.205 4.557 4.350 0.003 0.000 0.282 233 E C -1.372 175.253 176.600 0.041 0.000 1.104 233 E CA -0.233 56.259 56.400 0.153 0.000 0.876 233 E CB 0.512 30.319 29.700 0.178 0.000 1.055 233 E HN 0.318 nan 8.360 nan 0.000 0.401 234 V N 6.972 126.936 119.914 0.084 0.000 2.525 234 V HA 0.322 4.444 4.120 0.003 0.000 0.299 234 V C -0.017 176.117 176.094 0.067 0.000 1.034 234 V CA -0.699 61.554 62.300 -0.078 0.000 0.863 234 V CB 1.664 33.334 31.823 -0.255 0.000 0.999 234 V HN 0.628 nan 8.190 nan 0.000 0.423 235 I N 4.364 124.859 120.570 -0.125 0.000 2.301 235 I HA 0.397 4.569 4.170 0.003 0.000 0.292 235 I C -0.552 175.512 176.117 -0.088 0.000 1.046 235 I CA 0.267 61.419 61.300 -0.246 0.000 1.282 235 I CB 0.930 38.619 38.000 -0.518 0.000 1.409 235 I HN 0.618 nan 8.210 nan 0.000 0.484 236 D N 7.408 127.822 120.400 0.023 0.000 2.336 236 D HA 0.194 4.836 4.640 0.003 0.000 0.248 236 D C -0.011 176.326 176.300 0.062 0.000 1.326 236 D CA -0.410 53.608 54.000 0.030 0.000 0.973 236 D CB 1.143 41.970 40.800 0.046 0.000 1.255 236 D HN 0.187 nan 8.370 nan 0.000 0.558 237 L N 2.404 123.654 121.223 0.044 0.000 2.611 237 L HA 0.485 4.826 4.340 0.003 0.000 0.229 237 L C 1.139 178.048 176.870 0.066 0.000 1.137 237 L CA 0.611 55.491 54.840 0.066 0.000 0.901 237 L CB -1.166 40.929 42.059 0.059 0.000 1.098 237 L HN 0.733 nan 8.230 nan 0.000 0.456 238 G N -1.082 107.749 108.800 0.052 0.000 2.784 238 G HA2 0.238 4.200 3.960 0.003 0.000 0.686 238 G HA3 0.238 4.200 3.960 0.003 0.000 0.686 238 G C 0.551 175.469 174.900 0.031 0.000 1.156 238 G CA -0.321 44.807 45.100 0.047 0.000 0.757 238 G HN 0.547 nan 8.290 nan 0.000 0.642 239 G N -0.003 108.811 108.800 0.024 0.000 2.153 239 G HA2 -0.132 3.830 3.960 0.003 0.000 0.252 239 G HA3 -0.132 3.830 3.960 0.003 0.000 0.252 239 G C 0.224 175.133 174.900 0.015 0.000 0.994 239 G CA 1.348 46.459 45.100 0.018 0.000 0.698 239 G HN 1.004 nan 8.290 nan 0.000 0.521 240 E N -0.941 119.267 120.200 0.013 0.000 2.232 240 E HA 0.664 5.016 4.350 0.003 0.000 0.264 240 E C 1.468 178.072 176.600 0.007 0.000 0.973 240 E CA -0.078 56.328 56.400 0.010 0.000 0.849 240 E CB 1.393 31.094 29.700 0.002 0.000 1.198 240 E HN 0.353 nan 8.360 nan 0.000 0.407 241 A N 2.513 125.337 122.820 0.007 0.000 1.972 241 A HA -0.051 4.271 4.320 0.003 0.000 0.219 241 A C 1.065 178.636 177.584 -0.023 0.000 1.169 241 A CA 1.068 53.104 52.037 -0.002 0.000 0.635 241 A CB -0.105 18.896 19.000 0.002 0.000 0.810 241 A HN 0.495 nan 8.150 nan 0.000 0.446 242 I N -0.004 120.549 120.570 -0.029 0.000 2.404 242 I HA 0.256 4.427 4.170 0.003 0.000 0.293 242 I C -0.529 175.592 176.117 0.006 0.000 0.992 242 I CA -0.522 60.762 61.300 -0.026 0.000 1.149 242 I CB 1.952 39.923 38.000 -0.048 0.000 1.315 242 I HN 0.074 nan 8.210 nan 0.000 0.446 243 K N 3.397 123.805 120.400 0.014 0.000 2.164 243 K HA 0.298 4.620 4.320 0.003 0.000 0.258 243 K C 0.960 177.585 176.600 0.040 0.000 0.951 243 K CA -0.481 55.810 56.287 0.007 0.000 0.844 243 K CB 1.836 34.315 32.500 -0.036 0.000 1.099 243 K HN 0.690 nan 8.250 nan 0.000 0.435 244 S N 0.243 115.959 115.700 0.028 0.000 2.400 244 S HA -0.211 4.261 4.470 0.003 0.000 0.232 244 S C 1.877 176.335 174.600 -0.237 0.000 1.025 244 S CA 1.620 59.856 58.200 0.060 0.000 0.993 244 S CB -0.474 62.816 63.200 0.149 0.000 0.808 244 S HN 0.690 nan 8.310 nan 0.000 0.478 245 S N 2.054 117.371 115.700 -0.639 0.000 2.465 245 S HA -0.134 4.337 4.470 0.003 0.000 0.241 245 S C 1.522 175.668 174.600 -0.756 0.000 1.000 245 S CA 1.048 58.351 58.200 -1.495 0.000 0.964 245 S CB -0.693 62.031 63.200 -0.794 0.000 0.763 245 S HN 0.710 nan 8.310 nan 0.000 0.512 246 E N -0.045 119.956 120.200 -0.333 0.000 2.338 246 E HA -0.087 4.264 4.350 0.003 0.000 0.197 246 E C 0.672 177.028 176.600 -0.407 0.000 1.007 246 E CA 1.020 57.225 56.400 -0.324 0.000 0.849 246 E CB -0.224 29.255 29.700 -0.368 0.000 0.774 246 E HN 0.833 nan 8.360 nan 0.000 0.506 247 Y N -1.737 118.494 120.300 -0.115 0.000 2.467 247 Y HA 0.089 4.641 4.550 0.003 0.000 0.250 247 Y C 1.276 177.328 175.900 0.253 0.000 1.155 247 Y CA -0.483 57.652 58.100 0.059 0.000 1.249 247 Y CB 0.353 38.858 38.460 0.076 0.000 1.146 247 Y HN -0.012 nan 8.280 nan 0.000 0.524 248 F N 0.077 120.160 119.950 0.222 0.000 2.307 248 F HA -0.108 4.420 4.527 0.003 0.000 0.301 248 F C 2.256 178.226 175.800 0.284 0.000 1.076 248 F CA 1.009 59.145 58.000 0.228 0.000 1.383 248 F CB -1.269 37.813 39.000 0.137 0.000 1.055 248 F HN 0.101 nan 8.300 nan 0.000 0.526 249 G N -0.677 108.350 108.800 0.377 0.000 2.598 249 G HA2 -0.179 3.783 3.960 0.003 0.000 0.215 249 G HA3 -0.179 3.783 3.960 0.003 0.000 0.215 249 G C 1.504 176.533 174.900 0.216 0.000 1.131 249 G CA 0.385 45.657 45.100 0.286 0.000 0.785 249 G HN 0.260 nan 8.290 nan 0.000 0.539 250 N N 0.293 119.112 118.700 0.198 0.000 2.356 250 N HA 0.250 4.992 4.740 0.003 0.000 0.178 250 N C 1.095 176.584 175.510 -0.035 0.000 1.075 250 N CA 0.957 54.055 53.050 0.080 0.000 0.889 250 N CB 1.201 39.758 38.487 0.117 0.000 0.999 250 N HN 0.438 nan 8.380 nan 0.000 0.464 251 G N -0.181 108.650 108.800 0.053 0.000 2.350 251 G HA2 0.093 4.055 3.960 0.003 0.000 0.276 251 G HA3 0.093 4.055 3.960 0.003 0.000 0.276 251 G C -1.314 173.779 174.900 0.323 0.000 1.313 251 G CA -0.958 44.089 45.100 -0.088 0.000 0.903 251 G HN 0.010 nan 8.290 nan 0.000 0.490 252 R N -1.279 119.373 120.500 0.253 0.000 2.649 252 R HA 0.658 5.000 4.340 0.003 0.000 0.270 252 R C -0.542 175.896 176.300 0.230 0.000 1.105 252 R CA -0.413 55.841 56.100 0.256 0.000 1.193 252 R CB 1.014 31.442 30.300 0.214 0.000 1.120 252 R HN 0.359 nan 8.270 nan 0.000 0.561 253 V N 0.179 120.232 119.914 0.232 0.000 2.841 253 V HA 0.176 4.298 4.120 0.003 0.000 0.310 253 V C -0.151 176.068 176.094 0.209 0.000 1.090 253 V CA -1.080 61.367 62.300 0.246 0.000 0.930 253 V CB 2.152 34.186 31.823 0.351 0.000 1.014 253 V HN 0.977 nan 8.190 nan 0.000 0.425 254 T N 0.210 114.903 114.554 0.232 0.000 2.867 254 T HA 0.242 4.593 4.350 0.003 0.000 0.297 254 T C -0.076 174.721 174.700 0.161 0.000 0.989 254 T CA -0.168 62.069 62.100 0.227 0.000 1.159 254 T CB 0.712 69.740 68.868 0.268 0.000 0.928 254 T HN 0.690 nan 8.240 nan 0.000 0.538 255 E N 2.612 122.795 120.200 -0.028 0.000 1.998 255 E HA 0.297 4.649 4.350 0.003 0.000 0.257 255 E C -0.291 176.118 176.600 -0.318 0.000 1.038 255 E CA -1.056 55.281 56.400 -0.104 0.000 0.869 255 E CB -0.676 28.947 29.700 -0.128 0.000 1.135 255 E HN 0.677 nan 8.360 nan 0.000 0.430 256 F N 2.269 122.155 119.950 -0.106 0.000 2.546 256 F HA -0.015 4.514 4.527 0.003 0.000 0.298 256 F C 1.725 177.415 175.800 -0.182 0.000 1.120 256 F CA 0.762 58.692 58.000 -0.116 0.000 1.456 256 F CB 0.167 39.197 39.000 0.051 0.000 1.088 256 F HN 0.371 nan 8.300 nan 0.000 0.572 257 K N -1.017 119.313 120.400 -0.116 0.000 2.211 257 K HA -0.211 4.111 4.320 0.003 0.000 0.203 257 K C 1.771 178.111 176.600 -0.435 0.000 1.050 257 K CA 1.096 57.258 56.287 -0.209 0.000 0.945 257 K CB -0.372 31.965 32.500 -0.273 0.000 0.732 257 K HN 0.255 nan 8.250 nan 0.000 0.451 258 Y N 1.287 121.081 120.300 -0.844 0.000 2.070 258 Y HA -0.235 4.317 4.550 0.003 0.000 0.280 258 Y C 2.398 178.180 175.900 -0.196 0.000 1.148 258 Y CA 2.053 59.726 58.100 -0.711 0.000 1.125 258 Y CB -0.713 37.340 38.460 -0.678 0.000 0.975 258 Y HN 0.048 nan 8.280 nan 0.000 0.492 259 G N -0.837 107.931 108.800 -0.055 0.000 2.408 259 G HA2 -0.181 3.780 3.960 0.003 0.000 0.217 259 G HA3 -0.181 3.780 3.960 0.003 0.000 0.217 259 G C 1.770 176.686 174.900 0.027 0.000 1.150 259 G CA 0.829 45.935 45.100 0.012 0.000 0.776 259 G HN 0.613 nan 8.290 nan 0.000 0.542 260 A N 0.917 123.765 122.820 0.046 0.000 1.877 260 A HA 0.016 4.338 4.320 0.003 0.000 0.216 260 A C 2.392 180.031 177.584 0.092 0.000 1.186 260 A CA 1.824 53.914 52.037 0.090 0.000 0.620 260 A CB -0.263 18.808 19.000 0.118 0.000 0.822 260 A HN 0.199 nan 8.150 nan 0.000 0.443 261 K N -0.301 120.179 120.400 0.133 0.000 2.057 261 K HA 0.038 4.360 4.320 0.003 0.000 0.206 261 K C 1.974 178.574 176.600 0.001 0.000 1.050 261 K CA 0.767 57.183 56.287 0.216 0.000 0.935 261 K CB -0.727 32.059 32.500 0.477 0.000 0.715 261 K HN 0.510 nan 8.250 nan 0.000 0.439 262 L N 0.468 121.632 121.223 -0.098 0.000 2.046 262 L HA -0.130 4.212 4.340 0.003 0.000 0.208 262 L C 2.230 178.897 176.870 -0.339 0.000 1.077 262 L CA 1.633 56.209 54.840 -0.441 0.000 0.747 262 L CB -0.768 41.023 42.059 -0.446 0.000 0.896 262 L HN 0.263 nan 8.230 nan 0.000 0.432 263 G N -1.296 107.391 108.800 -0.188 0.000 2.421 263 G HA2 -0.249 3.712 3.960 0.003 0.000 0.216 263 G HA3 -0.249 3.712 3.960 0.003 0.000 0.216 263 G C 1.458 176.182 174.900 -0.294 0.000 1.171 263 G CA 1.144 46.118 45.100 -0.210 0.000 0.775 263 G HN 0.319 nan 8.290 nan 0.000 0.543 264 T N 0.895 115.353 114.554 -0.160 0.000 2.720 264 T HA -0.127 4.225 4.350 0.003 0.000 0.268 264 T C 2.529 177.145 174.700 -0.140 0.000 1.037 264 T CA 1.321 63.370 62.100 -0.085 0.000 1.144 264 T CB -0.277 68.665 68.868 0.124 0.000 0.864 264 T HN 0.064 nan 8.240 nan 0.000 0.444 265 V N 1.051 120.858 119.914 -0.178 0.000 2.307 265 V HA -0.119 4.003 4.120 0.003 0.000 0.245 265 V C 2.658 178.552 176.094 -0.333 0.000 1.045 265 V CA 1.272 63.430 62.300 -0.236 0.000 1.024 265 V CB -0.612 30.976 31.823 -0.390 0.000 0.651 265 V HN 0.309 nan 8.190 nan 0.000 0.449 266 V N -0.147 119.523 119.914 -0.407 0.000 2.515 266 V HA -0.190 3.932 4.120 0.003 0.000 0.250 266 V C 2.408 178.296 176.094 -0.344 0.000 1.058 266 V CA 1.735 63.802 62.300 -0.389 0.000 1.064 266 V CB -0.793 30.799 31.823 -0.386 0.000 0.675 266 V HN 0.472 nan 8.190 nan 0.000 0.461 267 R N -0.183 120.050 120.500 -0.446 0.000 2.307 267 R HA 0.065 4.407 4.340 0.003 0.000 0.199 267 R C 0.669 176.756 176.300 -0.355 0.000 1.000 267 R CA 0.061 55.809 56.100 -0.586 0.000 1.023 267 R CB -0.077 29.406 30.300 -1.361 0.000 0.908 267 R HN 0.402 nan 8.270 nan 0.000 0.473 268 K N -0.456 119.816 120.400 -0.214 0.000 3.096 268 K HA -0.167 4.155 4.320 0.003 0.000 0.266 268 K C -1.038 175.678 176.600 0.193 0.000 1.043 268 K CA 0.361 56.625 56.287 -0.039 0.000 0.758 268 K CB -0.914 31.558 32.500 -0.047 0.000 1.260 268 K HN 0.142 nan 8.250 nan 0.000 0.481 269 W N 0.393 121.678 121.300 -0.024 0.000 2.375 269 W HA 0.268 4.930 4.660 0.003 0.000 0.336 269 W C 1.079 177.609 176.519 0.019 0.000 1.160 269 W CA -0.998 56.346 57.345 -0.002 0.000 1.266 269 W CB 0.876 30.339 29.460 0.005 0.000 1.195 269 W HN 0.176 nan 8.180 nan 0.000 0.599 270 S N 1.146 116.978 115.700 0.220 0.000 3.549 270 S HA -0.088 4.384 4.470 0.003 0.000 0.366 270 S C 1.025 175.704 174.600 0.131 0.000 1.012 270 S CA 1.572 59.851 58.200 0.131 0.000 1.141 270 S CB -1.537 61.743 63.200 0.134 0.000 0.910 270 S HN 1.551 nan 8.310 nan 0.000 0.471 271 G N -0.557 108.318 108.800 0.126 0.000 2.184 271 G HA2 -0.296 3.666 3.960 0.003 0.000 0.264 271 G HA3 -0.296 3.666 3.960 0.003 0.000 0.264 271 G C -0.199 174.813 174.900 0.187 0.000 0.975 271 G CA 0.426 45.606 45.100 0.135 0.000 0.642 271 G HN 0.618 nan 8.290 nan 0.000 0.536 272 E N 0.604 120.902 120.200 0.163 0.000 2.366 272 E HA 0.554 4.906 4.350 0.003 0.000 0.266 272 E C 0.467 176.990 176.600 -0.130 0.000 1.051 272 E CA 0.235 56.727 56.400 0.152 0.000 0.884 272 E CB 0.957 30.761 29.700 0.173 0.000 1.006 272 E HN 0.528 nan 8.360 nan 0.000 0.417 273 K N 1.468 121.584 120.400 -0.474 0.000 2.469 273 K HA 0.307 4.629 4.320 0.003 0.000 0.254 273 K C 0.842 177.154 176.600 -0.480 0.000 0.939 273 K CA -0.588 55.330 56.287 -0.615 0.000 0.812 273 K CB 2.010 33.925 32.500 -0.975 0.000 1.301 273 K HN 0.297 nan 8.250 nan 0.000 0.433 274 M N 1.207 120.591 119.600 -0.360 0.000 2.279 274 M HA -0.166 4.316 4.480 0.003 0.000 0.264 274 M C 1.650 177.879 176.300 -0.118 0.000 1.062 274 M CA 1.911 57.019 55.300 -0.319 0.000 1.099 274 M CB 0.049 32.443 32.600 -0.343 0.000 1.394 274 M HN 0.760 nan 8.290 nan 0.000 0.426 275 S N -0.804 114.844 115.700 -0.087 0.000 2.442 275 S HA -0.172 4.300 4.470 0.003 0.000 0.236 275 S C 1.531 176.341 174.600 0.349 0.000 1.007 275 S CA 0.815 59.126 58.200 0.185 0.000 0.965 275 S CB -1.091 62.153 63.200 0.073 0.000 0.773 275 S HN 0.684 nan 8.310 nan 0.000 0.504 276 Y N 1.159 121.537 120.300 0.130 0.000 2.616 276 Y HA 0.202 4.754 4.550 0.003 0.000 0.296 276 Y C 1.633 177.699 175.900 0.277 0.000 1.154 276 Y CA -0.096 58.109 58.100 0.176 0.000 1.325 276 Y CB -0.291 38.299 38.460 0.216 0.000 1.007 276 Y HN 0.280 nan 8.280 nan 0.000 0.542 277 L N 0.386 121.742 121.223 0.223 0.000 2.599 277 L HA -0.084 4.257 4.340 0.003 0.000 0.230 277 L C 2.249 179.010 176.870 -0.181 0.000 1.141 277 L CA 0.449 55.254 54.840 -0.057 0.000 0.877 277 L CB -0.281 41.480 42.059 -0.496 0.000 1.009 277 L HN 0.165 nan 8.230 nan 0.000 0.447 278 K N 2.032 122.148 120.400 -0.473 0.000 2.113 278 K HA -0.210 4.112 4.320 0.003 0.000 0.208 278 K C 1.212 177.447 176.600 -0.608 0.000 1.047 278 K CA 1.980 57.498 56.287 -1.281 0.000 0.928 278 K CB -0.038 31.837 32.500 -1.040 0.000 0.716 278 K HN 0.624 nan 8.250 nan 0.000 0.446 279 N N -0.825 117.750 118.700 -0.208 0.000 2.320 279 N HA -0.029 4.713 4.740 0.003 0.000 0.237 279 N C -0.238 175.280 175.510 0.014 0.000 1.129 279 N CA -0.740 52.238 53.050 -0.120 0.000 0.854 279 N CB -0.039 38.400 38.487 -0.079 0.000 1.083 279 N HN 0.190 nan 8.380 nan 0.000 0.504 280 W N 1.799 122.877 121.300 -0.371 0.000 2.293 280 W HA 0.166 4.828 4.660 0.003 0.000 0.342 280 W C 0.639 176.791 176.519 -0.611 0.000 1.274 280 W CA 1.982 58.901 57.345 -0.711 0.000 1.290 280 W CB 0.525 29.506 29.460 -0.797 0.000 1.176 280 W HN 0.493 nan 8.180 nan 0.000 0.570 281 G N 3.717 111.729 108.800 -1.313 0.000 2.358 281 G HA2 -0.287 3.675 3.960 0.003 0.000 0.198 281 G HA3 -0.287 3.675 3.960 0.003 0.000 0.198 281 G C 0.287 174.665 174.900 -0.870 0.000 1.220 281 G CA 0.085 44.494 45.100 -1.151 0.000 1.187 281 G HN 0.461 nan 8.290 nan 0.000 0.544 282 E N 0.747 120.747 120.200 -0.333 0.000 2.209 282 E HA 0.042 4.394 4.350 0.003 0.000 0.196 282 E C 2.502 178.967 176.600 -0.226 0.000 0.993 282 E CA 1.814 58.118 56.400 -0.160 0.000 0.819 282 E CB -0.555 29.140 29.700 -0.008 0.000 0.745 282 E HN 0.861 nan 8.360 nan 0.000 0.477 283 G N -0.511 108.145 108.800 -0.239 0.000 2.470 283 G HA2 -0.221 3.741 3.960 0.003 0.000 0.220 283 G HA3 -0.221 3.741 3.960 0.003 0.000 0.220 283 G C 0.513 175.265 174.900 -0.246 0.000 1.121 283 G CA 0.313 45.301 45.100 -0.187 0.000 0.766 283 G HN 0.263 nan 8.290 nan 0.000 0.553 284 W N -0.042 120.823 121.300 -0.725 0.000 3.330 284 W HA 0.445 5.107 4.660 0.003 0.000 0.348 284 W C 1.621 177.769 176.519 -0.618 0.000 1.205 284 W CA -0.214 56.656 57.345 -0.792 0.000 1.841 284 W CB 0.144 28.823 29.460 -1.302 0.000 1.084 284 W HN 0.296 nan 8.180 nan 0.000 0.665 285 G N -0.523 108.119 108.800 -0.264 0.000 2.141 285 G HA2 -0.286 3.675 3.960 0.003 0.000 0.242 285 G HA3 -0.286 3.675 3.960 0.003 0.000 0.242 285 G C 0.268 175.269 174.900 0.169 0.000 0.982 285 G CA -0.572 44.504 45.100 -0.039 0.000 0.662 285 G HN 0.233 nan 8.290 nan 0.000 0.527 286 F N 1.162 121.053 119.950 -0.098 0.000 2.403 286 F HA 0.539 5.068 4.527 0.003 0.000 0.320 286 F C 1.833 177.675 175.800 0.071 0.000 1.176 286 F CA -0.837 57.119 58.000 -0.074 0.000 1.206 286 F CB 0.467 39.263 39.000 -0.340 0.000 1.235 286 F HN 0.238 nan 8.300 nan 0.000 0.565 287 M N 0.922 120.749 119.600 0.378 0.000 2.167 287 M HA 0.306 4.788 4.480 0.003 0.000 0.300 287 M C -2.693 173.754 176.300 0.245 0.000 1.171 287 M CA -1.523 53.972 55.300 0.326 0.000 1.171 287 M CB -0.735 32.080 32.600 0.357 0.000 1.396 287 M HN 0.087 nan 8.290 nan 0.000 0.466 288 P HA 0.019 nan 4.420 nan 0.000 0.265 288 P C 0.260 177.492 177.300 -0.114 0.000 1.193 288 P CA 0.108 63.191 63.100 -0.028 0.000 0.765 288 P CB 0.840 32.436 31.700 -0.172 0.000 0.823 289 S N 2.692 118.317 115.700 -0.125 0.000 2.387 289 S HA -0.205 4.267 4.470 0.003 0.000 0.230 289 S C 1.283 175.661 174.600 -0.369 0.000 1.035 289 S CA 1.981 59.872 58.200 -0.515 0.000 1.014 289 S CB -0.898 62.087 63.200 -0.359 0.000 0.836 289 S HN 0.621 nan 8.310 nan 0.000 0.466 290 D N -0.412 119.836 120.400 -0.253 0.000 2.363 290 D HA 0.000 4.642 4.640 0.003 0.000 0.226 290 D C 1.408 177.552 176.300 -0.259 0.000 1.020 290 D CA 0.248 54.113 54.000 -0.226 0.000 0.892 290 D CB -0.211 40.461 40.800 -0.215 0.000 0.900 290 D HN 0.283 nan 8.370 nan 0.000 0.531 291 R N -0.296 120.021 120.500 -0.306 0.000 2.509 291 R HA 0.432 4.774 4.340 0.003 0.000 0.297 291 R C -0.016 176.205 176.300 -0.133 0.000 0.951 291 R CA -0.100 55.819 56.100 -0.301 0.000 1.103 291 R CB 0.896 30.722 30.300 -0.789 0.000 1.283 291 R HN 0.179 nan 8.270 nan 0.000 0.534 292 A N 1.403 124.129 122.820 -0.156 0.000 2.305 292 A HA 0.588 4.910 4.320 0.003 0.000 0.322 292 A C -0.796 176.753 177.584 -0.058 0.000 1.187 292 A CA -0.497 51.478 52.037 -0.103 0.000 0.825 292 A CB 0.849 19.726 19.000 -0.205 0.000 1.164 292 A HN 0.178 nan 8.150 nan 0.000 0.498 293 L N 4.130 125.351 121.223 -0.003 0.000 2.298 293 L HA 0.680 5.022 4.340 0.003 0.000 0.284 293 L C -0.299 176.551 176.870 -0.034 0.000 1.013 293 L CA -0.399 54.444 54.840 0.004 0.000 0.824 293 L CB 1.586 43.618 42.059 -0.046 0.000 1.221 293 L HN 0.729 nan 8.230 nan 0.000 0.418 294 V N 2.221 122.036 119.914 -0.165 0.000 2.994 294 V HA 0.855 4.977 4.120 0.003 0.000 0.318 294 V C -0.712 175.247 176.094 -0.224 0.000 1.085 294 V CA -0.693 61.318 62.300 -0.482 0.000 0.998 294 V CB 1.698 32.923 31.823 -0.997 0.000 1.063 294 V HN 0.823 nan 8.190 nan 0.000 0.447 295 F N -1.222 118.521 119.950 -0.344 0.000 2.769 295 F HA 0.716 5.245 4.527 0.003 0.000 0.313 295 F C -0.031 175.782 175.800 0.020 0.000 1.146 295 F CA -0.842 57.068 58.000 -0.152 0.000 0.934 295 F CB 0.738 39.654 39.000 -0.139 0.000 1.283 295 F HN 0.250 nan 8.300 nan 0.000 0.443 296 V N -0.020 120.023 119.914 0.215 0.000 2.446 296 V HA 0.044 4.165 4.120 0.003 0.000 0.244 296 V C 0.063 176.341 176.094 0.307 0.000 1.039 296 V CA 1.943 64.368 62.300 0.208 0.000 1.045 296 V CB -0.519 31.388 31.823 0.140 0.000 0.681 296 V HN 0.898 nan 8.190 nan 0.000 0.459 297 D N -0.470 120.191 120.400 0.436 0.000 2.596 297 D HA 0.292 4.933 4.640 0.003 0.000 0.234 297 D C -0.974 175.526 176.300 0.334 0.000 1.181 297 D CA -0.638 53.597 54.000 0.392 0.000 0.856 297 D CB 1.740 42.720 40.800 0.299 0.000 1.498 297 D HN 0.257 nan 8.370 nan 0.000 0.446 298 N N -1.534 117.259 118.700 0.156 0.000 2.701 298 N HA 0.142 4.883 4.740 0.003 0.000 0.290 298 N C 0.830 176.237 175.510 -0.172 0.000 1.338 298 N CA -0.406 52.587 53.050 -0.094 0.000 0.799 298 N CB 0.417 38.690 38.487 -0.357 0.000 1.491 298 N HN 0.648 nan 8.380 nan 0.000 0.540 299 H N -2.111 116.772 119.070 -0.311 0.000 2.456 299 H HA 0.018 4.576 4.556 0.003 0.000 0.296 299 H C 0.910 175.815 175.328 -0.705 0.000 1.079 299 H CA 1.897 57.484 56.048 -0.770 0.000 1.322 299 H CB -0.023 28.925 29.762 -1.356 0.000 1.388 299 H HN 0.736 nan 8.280 nan 0.000 0.538 300 D N 0.524 120.307 120.400 -1.027 0.000 2.202 300 D HA -0.146 4.495 4.640 0.003 0.000 0.214 300 D C 1.961 178.082 176.300 -0.298 0.000 0.967 300 D CA 1.038 54.654 54.000 -0.639 0.000 0.871 300 D CB -0.099 40.397 40.800 -0.506 0.000 1.020 300 D HN 0.507 nan 8.370 nan 0.000 0.474 301 N N 0.640 119.250 118.700 -0.150 0.000 2.494 301 N HA -0.183 4.558 4.740 0.003 0.000 0.182 301 N C 1.384 176.911 175.510 0.027 0.000 1.076 301 N CA 0.825 53.864 53.050 -0.019 0.000 0.908 301 N CB -0.790 37.775 38.487 0.129 0.000 0.967 301 N HN 0.506 nan 8.380 nan 0.000 0.449 302 Q N -0.100 119.704 119.800 0.006 0.000 2.436 302 Q HA 0.052 4.394 4.340 0.003 0.000 0.209 302 Q C 1.333 177.454 176.000 0.201 0.000 0.965 302 Q CA 0.572 56.439 55.803 0.107 0.000 0.910 302 Q CB -0.147 28.659 28.738 0.114 0.000 0.980 302 Q HN 0.272 nan 8.270 nan 0.000 0.491 303 R N -0.196 120.358 120.500 0.090 0.000 2.310 303 R HA 0.122 4.463 4.340 0.003 0.000 0.202 303 R C 0.886 177.293 176.300 0.178 0.000 0.933 303 R CA 0.592 56.797 56.100 0.174 0.000 1.054 303 R CB 0.373 30.680 30.300 0.011 0.000 0.985 303 R HN 0.576 nan 8.270 nan 0.000 0.489 304 G N 0.879 109.752 108.800 0.123 0.000 2.232 304 G HA2 -0.289 3.673 3.960 0.003 0.000 0.226 304 G HA3 -0.289 3.673 3.960 0.003 0.000 0.226 304 G C 0.187 175.222 174.900 0.224 0.000 0.996 304 G CA 0.324 45.546 45.100 0.203 0.000 0.626 304 G HN 0.665 nan 8.290 nan 0.000 0.509 305 H N -1.307 117.841 119.070 0.130 0.000 2.790 305 H HA 0.642 5.200 4.556 0.003 0.000 0.232 305 H C 0.745 176.112 175.328 0.064 0.000 1.313 305 H CA 0.057 56.162 56.048 0.096 0.000 1.011 305 H CB 0.137 29.953 29.762 0.091 0.000 2.105 305 H HN 0.599 nan 8.280 nan 0.000 0.580 306 G N 0.177 108.951 108.800 -0.043 0.000 2.828 306 G HA2 0.572 4.534 3.960 0.003 0.000 0.244 306 G HA3 0.572 4.534 3.960 0.003 0.000 0.244 306 G C -0.450 174.450 174.900 -0.000 0.000 1.365 306 G CA -0.868 44.197 45.100 -0.057 0.000 1.041 306 G HN 0.548 nan 8.290 nan 0.000 0.560 307 A N -1.182 121.616 122.820 -0.036 0.000 2.505 307 A HA 0.513 4.835 4.320 0.003 0.000 0.271 307 A C 1.343 179.002 177.584 0.125 0.000 1.112 307 A CA 1.231 53.260 52.037 -0.012 0.000 0.781 307 A CB -0.820 18.066 19.000 -0.190 0.000 1.059 307 A HN 2.426 nan 8.150 nan 0.000 0.508 308 G N 1.622 110.488 108.800 0.109 0.000 2.253 308 G HA2 0.190 4.152 3.960 0.003 0.000 0.209 308 G HA3 0.190 4.152 3.960 0.003 0.000 0.209 308 G C 1.673 176.661 174.900 0.146 0.000 0.997 308 G CA 0.666 45.848 45.100 0.138 0.000 0.640 308 G HN 2.736 nan 8.290 nan 0.000 0.496 309 G N 0.251 109.131 108.800 0.134 0.000 2.614 309 G HA2 -0.054 3.908 3.960 0.003 0.000 0.303 309 G HA3 -0.054 3.908 3.960 0.003 0.000 0.303 309 G C 1.621 176.634 174.900 0.188 0.000 1.270 309 G CA 2.718 47.912 45.100 0.157 0.000 0.988 309 G HN 2.097 nan 8.290 nan 0.000 0.551 310 S N 0.057 115.895 115.700 0.229 0.000 2.515 310 S HA 0.046 4.518 4.470 0.003 0.000 0.231 310 S C 2.413 177.205 174.600 0.320 0.000 0.987 310 S CA 1.887 60.256 58.200 0.282 0.000 0.936 310 S CB -0.360 63.024 63.200 0.307 0.000 0.766 310 S HN 2.053 nan 8.310 nan 0.000 0.528 311 S N 1.454 117.338 115.700 0.306 0.000 2.453 311 S HA 0.147 4.618 4.470 0.003 0.000 0.231 311 S C 0.842 175.423 174.600 -0.031 0.000 1.005 311 S CA -0.203 58.049 58.200 0.088 0.000 0.949 311 S CB -0.745 62.559 63.200 0.174 0.000 0.774 311 S HN 0.427 nan 8.310 nan 0.000 0.510 312 I N 2.923 123.537 120.570 0.073 0.000 2.668 312 I HA 0.133 4.305 4.170 0.003 0.000 0.285 312 I C 0.354 176.510 176.117 0.066 0.000 1.168 312 I CA -0.226 61.125 61.300 0.085 0.000 1.424 312 I CB -0.385 37.698 38.000 0.138 0.000 1.377 312 I HN 0.327 nan 8.210 nan 0.000 0.560 313 L N 6.888 128.167 121.223 0.093 0.000 2.334 313 L HA 0.443 4.785 4.340 0.003 0.000 0.277 313 L C 0.654 177.644 176.870 0.200 0.000 1.075 313 L CA -0.195 54.731 54.840 0.143 0.000 0.804 313 L CB 1.544 43.717 42.059 0.191 0.000 1.174 313 L HN 0.789 nan 8.230 nan 0.000 0.438 314 T N -1.760 112.761 114.554 -0.054 0.000 2.778 314 T HA 0.321 4.673 4.350 0.003 0.000 0.293 314 T C 0.707 174.916 174.700 -0.819 0.000 1.144 314 T CA -0.626 61.170 62.100 -0.507 0.000 1.010 314 T CB 0.727 69.458 68.868 -0.228 0.000 1.325 314 T HN 0.411 nan 8.240 nan 0.000 0.515 315 F N -1.200 118.254 119.950 -0.826 0.000 2.408 315 F HA 0.203 4.732 4.527 0.004 0.000 0.300 315 F C 1.557 177.268 175.800 -0.149 0.000 1.090 315 F CA -0.089 57.653 58.000 -0.430 0.000 1.427 315 F CB -0.941 37.822 39.000 -0.396 0.000 1.070 315 F HN 0.542 nan 8.300 nan 0.000 0.549 316 W N 1.300 122.159 121.300 -0.735 0.000 2.465 316 W HA -0.043 4.619 4.660 0.004 0.000 0.268 316 W C 0.531 176.963 176.519 -0.145 0.000 1.242 316 W CA 0.670 57.745 57.345 -0.450 0.000 1.248 316 W CB -0.030 29.112 29.460 -0.529 0.000 1.118 316 W HN -0.033 nan 8.180 nan 0.000 0.587 317 D N -0.420 120.041 120.400 0.101 0.000 2.795 317 D HA 0.241 4.883 4.640 0.003 0.000 0.335 317 D C 1.231 177.648 176.300 0.194 0.000 1.262 317 D CA 0.085 54.158 54.000 0.122 0.000 0.885 317 D CB 0.686 41.535 40.800 0.081 0.000 1.047 317 D HN -0.023 nan 8.370 nan 0.000 0.500 318 A N 1.180 124.139 122.820 0.232 0.000 1.903 318 A HA -0.285 4.037 4.320 0.003 0.000 0.219 318 A C 2.167 179.937 177.584 0.310 0.000 1.191 318 A CA 1.547 53.795 52.037 0.352 0.000 0.638 318 A CB -0.258 18.814 19.000 0.120 0.000 0.823 318 A HN 0.334 nan 8.150 nan 0.000 0.451 319 R N -1.196 119.406 120.500 0.171 0.000 2.070 319 R HA -0.122 4.220 4.340 0.003 0.000 0.233 319 R C 1.918 178.317 176.300 0.166 0.000 1.137 319 R CA 1.749 57.939 56.100 0.150 0.000 0.945 319 R CB -0.410 29.943 30.300 0.088 0.000 0.845 319 R HN 0.387 nan 8.270 nan 0.000 0.430 320 L N -0.176 121.121 121.223 0.123 0.000 2.141 320 L HA -0.137 4.205 4.340 0.003 0.000 0.209 320 L C 2.074 179.011 176.870 0.111 0.000 1.094 320 L CA 1.454 56.329 54.840 0.058 0.000 0.763 320 L CB -0.974 41.082 42.059 -0.006 0.000 0.908 320 L HN 0.264 nan 8.230 nan 0.000 0.437 321 Y N 0.662 121.013 120.300 0.085 0.000 2.145 321 Y HA -0.271 4.280 4.550 0.003 0.000 0.286 321 Y C 2.465 178.459 175.900 0.156 0.000 1.145 321 Y CA 1.724 59.900 58.100 0.127 0.000 1.148 321 Y CB -0.115 38.483 38.460 0.231 0.000 0.981 321 Y HN 0.103 nan 8.280 nan 0.000 0.507 322 K N -0.111 120.454 120.400 0.274 0.000 2.097 322 K HA -0.166 4.156 4.320 0.003 0.000 0.206 322 K C 2.074 178.650 176.600 -0.040 0.000 1.049 322 K CA 1.866 58.295 56.287 0.236 0.000 0.933 322 K CB -0.284 32.500 32.500 0.474 0.000 0.717 322 K HN 0.376 nan 8.250 nan 0.000 0.442 323 I N 0.707 121.179 120.570 -0.164 0.000 2.252 323 I HA -0.255 3.917 4.170 0.003 0.000 0.245 323 I C 2.478 178.377 176.117 -0.364 0.000 1.102 323 I CA 0.945 61.947 61.300 -0.497 0.000 1.385 323 I CB -0.334 37.504 38.000 -0.270 0.000 1.064 323 I HN 0.149 nan 8.210 nan 0.000 0.414 324 A N 0.469 123.128 122.820 -0.269 0.000 1.877 324 A HA -0.150 4.172 4.320 0.003 0.000 0.216 324 A C 2.414 179.903 177.584 -0.158 0.000 1.186 324 A CA 1.708 53.593 52.037 -0.254 0.000 0.620 324 A CB -0.973 17.908 19.000 -0.199 0.000 0.822 324 A HN 0.226 nan 8.150 nan 0.000 0.443 325 V N -0.042 119.735 119.914 -0.229 0.000 2.407 325 V HA -0.175 3.947 4.120 0.003 0.000 0.248 325 V C 2.781 178.856 176.094 -0.032 0.000 1.055 325 V CA 1.930 64.132 62.300 -0.164 0.000 1.049 325 V CB -1.387 30.258 31.823 -0.297 0.000 0.662 325 V HN 0.626 nan 8.190 nan 0.000 0.455 326 G N -1.083 107.691 108.800 -0.043 0.000 2.402 326 G HA2 -0.295 3.667 3.960 0.003 0.000 0.216 326 G HA3 -0.295 3.667 3.960 0.003 0.000 0.216 326 G C 1.566 176.537 174.900 0.118 0.000 1.162 326 G CA 0.878 45.998 45.100 0.032 0.000 0.777 326 G HN 0.477 nan 8.290 nan 0.000 0.539 327 F N 0.901 120.824 119.950 -0.045 0.000 2.102 327 F HA -0.020 4.509 4.527 0.003 0.000 0.298 327 F C 2.663 178.544 175.800 0.134 0.000 1.105 327 F CA 2.094 60.066 58.000 -0.047 0.000 1.239 327 F CB -0.079 38.585 39.000 -0.560 0.000 0.991 327 F HN 0.153 nan 8.300 nan 0.000 0.474 328 M N -0.485 119.286 119.600 0.285 0.000 2.080 328 M HA -0.206 4.275 4.480 0.003 0.000 0.260 328 M C 1.830 178.252 176.300 0.204 0.000 1.068 328 M CA 1.694 57.212 55.300 0.362 0.000 1.109 328 M CB -0.351 32.448 32.600 0.332 0.000 1.342 328 M HN 0.232 nan 8.290 nan 0.000 0.405 329 L N 0.576 121.854 121.223 0.093 0.000 2.275 329 L HA -0.021 4.321 4.340 0.003 0.000 0.215 329 L C 2.594 179.508 176.870 0.072 0.000 1.119 329 L CA 1.805 56.669 54.840 0.039 0.000 0.790 329 L CB -1.472 40.587 42.059 -0.001 0.000 0.919 329 L HN 0.429 nan 8.230 nan 0.000 0.443 330 A N -2.728 120.118 122.820 0.043 0.000 1.984 330 A HA -0.061 4.260 4.320 0.003 0.000 0.214 330 A C 1.265 179.103 177.584 0.424 0.000 1.173 330 A CA 0.098 52.193 52.037 0.096 0.000 0.673 330 A CB -0.469 18.350 19.000 -0.302 0.000 0.830 330 A HN 0.369 nan 8.150 nan 0.000 0.453 331 H N 1.104 120.355 119.070 0.302 0.000 2.764 331 H HA 0.140 4.698 4.556 0.003 0.000 0.341 331 H C -1.639 173.848 175.328 0.265 0.000 1.072 331 H CA -1.184 55.031 56.048 0.279 0.000 1.444 331 H CB 1.428 31.249 29.762 0.098 0.000 1.458 331 H HN 0.115 nan 8.280 nan 0.000 0.572 332 P HA -0.157 nan 4.420 nan 0.000 0.226 332 P C 0.286 177.714 177.300 0.214 0.000 1.153 332 P CA 0.633 63.802 63.100 0.115 0.000 0.777 332 P CB -0.129 31.590 31.700 0.030 0.000 0.794 333 Y N 2.299 122.823 120.300 0.373 0.000 2.620 333 Y HA 0.313 4.865 4.550 0.003 0.000 0.330 333 Y C 1.262 177.219 175.900 0.096 0.000 1.186 333 Y CA 1.390 59.632 58.100 0.237 0.000 1.467 333 Y CB -0.336 38.275 38.460 0.252 0.000 1.262 333 Y HN 0.310 nan 8.280 nan 0.000 0.550 334 G N 4.640 113.011 108.800 -0.714 0.000 2.888 334 G HA2 -0.311 3.651 3.960 0.003 0.000 0.441 334 G HA3 -0.311 3.651 3.960 0.003 0.000 0.441 334 G C -1.324 173.461 174.900 -0.191 0.000 1.461 334 G CA -0.273 44.510 45.100 -0.530 0.000 0.897 334 G HN 0.923 nan 8.290 nan 0.000 0.547 335 F N 1.904 121.705 119.950 -0.248 0.000 2.415 335 F HA 0.635 5.163 4.527 0.003 0.000 0.348 335 F C 1.206 176.891 175.800 -0.192 0.000 1.119 335 F CA 0.062 57.946 58.000 -0.192 0.000 1.069 335 F CB 1.419 40.315 39.000 -0.173 0.000 1.124 335 F HN 0.826 nan 8.300 nan 0.000 0.472 336 T N 4.235 118.333 114.554 -0.760 0.000 2.856 336 T HA 0.402 4.754 4.350 0.003 0.000 0.292 336 T C -0.330 174.126 174.700 -0.407 0.000 0.980 336 T CA -0.856 60.955 62.100 -0.481 0.000 1.091 336 T CB 1.289 69.941 68.868 -0.360 0.000 0.936 336 T HN 0.794 nan 8.240 nan 0.000 0.503 337 R N 2.319 122.724 120.500 -0.159 0.000 2.480 337 R HA 0.603 4.945 4.340 0.003 0.000 0.306 337 R C -1.545 174.775 176.300 0.033 0.000 0.958 337 R CA -0.721 55.341 56.100 -0.063 0.000 0.861 337 R CB 1.533 31.789 30.300 -0.074 0.000 1.171 337 R HN 0.600 nan 8.270 nan 0.000 0.445 338 V N 5.410 125.365 119.914 0.069 0.000 2.472 338 V HA 0.338 4.460 4.120 0.003 0.000 0.290 338 V C 0.187 176.370 176.094 0.148 0.000 1.037 338 V CA -0.734 61.641 62.300 0.125 0.000 0.908 338 V CB 1.592 33.522 31.823 0.180 0.000 0.985 338 V HN 0.802 nan 8.190 nan 0.000 0.454 339 M N 4.017 123.724 119.600 0.178 0.000 2.314 339 M HA 0.516 4.998 4.480 0.003 0.000 0.342 339 M C -0.170 176.194 176.300 0.106 0.000 1.171 339 M CA 0.662 56.060 55.300 0.162 0.000 1.098 339 M CB 1.506 34.228 32.600 0.204 0.000 1.559 339 M HN 0.625 nan 8.290 nan 0.000 0.459 340 S N 2.473 118.201 115.700 0.047 0.000 2.733 340 S HA 0.795 5.267 4.470 0.003 0.000 0.294 340 S C -1.238 173.450 174.600 0.147 0.000 1.149 340 S CA -0.620 57.617 58.200 0.062 0.000 1.034 340 S CB 0.717 63.884 63.200 -0.055 0.000 1.015 340 S HN 0.839 nan 8.310 nan 0.000 0.486 341 S N 2.805 118.561 115.700 0.092 0.000 2.798 341 S HA 0.807 5.279 4.470 0.003 0.000 0.312 341 S C -1.373 173.311 174.600 0.141 0.000 1.122 341 S CA -0.729 57.525 58.200 0.090 0.000 0.949 341 S CB 0.792 63.910 63.200 -0.137 0.000 1.235 341 S HN 0.779 nan 8.310 nan 0.000 0.552 342 Y N -0.954 119.412 120.300 0.110 0.000 2.536 342 Y HA 0.766 5.318 4.550 0.003 0.000 0.347 342 Y C -0.358 175.558 175.900 0.027 0.000 1.000 342 Y CA -1.368 56.681 58.100 -0.084 0.000 1.051 342 Y CB 0.761 39.015 38.460 -0.343 0.000 1.259 342 Y HN 0.385 nan 8.280 nan 0.000 0.468 343 R N 1.263 121.851 120.500 0.147 0.000 2.532 343 R HA 0.527 4.868 4.340 0.003 0.000 0.272 343 R C -1.482 175.170 176.300 0.586 0.000 1.032 343 R CA -0.477 55.772 56.100 0.248 0.000 1.089 343 R CB 1.218 31.516 30.300 -0.003 0.000 1.098 343 R HN 0.992 nan 8.270 nan 0.000 0.526 344 W N -1.214 120.332 121.300 0.409 0.000 3.075 344 W HA 0.628 5.290 4.660 0.002 0.000 0.334 344 W C -1.669 175.008 176.519 0.264 0.000 1.243 344 W CA -1.249 56.252 57.345 0.261 0.000 1.170 344 W CB 0.830 30.418 29.460 0.213 0.000 1.452 344 W HN 0.578 nan 8.180 nan 0.000 0.572 345 A N 3.355 126.291 122.820 0.194 0.000 2.376 345 A HA 0.501 4.823 4.320 0.003 0.000 0.298 345 A C 0.197 177.750 177.584 -0.051 0.000 1.271 345 A CA -0.602 51.448 52.037 0.022 0.000 0.926 345 A CB -0.126 18.905 19.000 0.051 0.000 1.141 345 A HN 0.625 nan 8.150 nan 0.000 0.539 346 R N 1.886 122.180 120.500 -0.344 0.000 2.641 346 R HA 0.219 4.560 4.340 0.003 0.000 0.269 346 R C -0.395 175.713 176.300 -0.320 0.000 1.074 346 R CA -0.277 55.561 56.100 -0.438 0.000 1.133 346 R CB 0.483 30.266 30.300 -0.861 0.000 1.029 346 R HN 0.708 nan 8.270 nan 0.000 0.488 347 N N 2.432 120.914 118.700 -0.363 0.000 2.609 347 N HA 0.155 4.897 4.740 0.003 0.000 0.268 347 N C -1.703 173.672 175.510 -0.225 0.000 1.106 347 N CA -0.379 52.569 53.050 -0.170 0.000 0.823 347 N CB 0.456 38.932 38.487 -0.018 0.000 1.263 347 N HN 0.286 nan 8.380 nan 0.000 0.533 348 F N 1.675 121.632 119.950 0.011 0.000 2.396 348 F HA 0.430 4.959 4.527 0.003 0.000 0.343 348 F C 0.693 176.505 175.800 0.019 0.000 1.104 348 F CA -0.613 57.394 58.000 0.012 0.000 1.161 348 F CB 1.455 40.442 39.000 -0.022 0.000 1.146 348 F HN 0.085 nan 8.300 nan 0.000 0.522 349 V N 4.687 124.731 119.914 0.218 0.000 2.488 349 V HA 0.361 4.483 4.120 0.003 0.000 0.293 349 V C -0.294 175.869 176.094 0.114 0.000 1.027 349 V CA -0.878 61.499 62.300 0.128 0.000 0.862 349 V CB 0.736 32.611 31.823 0.086 0.000 1.008 349 V HN 0.887 nan 8.190 nan 0.000 0.428 350 N N 5.085 123.836 118.700 0.084 0.000 2.727 350 N HA -0.198 4.544 4.740 0.003 0.000 0.249 350 N C 1.069 176.617 175.510 0.065 0.000 1.048 350 N CA 1.046 54.127 53.050 0.052 0.000 0.714 350 N CB -0.947 37.560 38.487 0.034 0.000 0.959 350 N HN 1.730 nan 8.380 nan 0.000 0.544 351 G N -1.484 107.374 108.800 0.097 0.000 2.184 351 G HA2 -0.324 3.637 3.960 0.003 0.000 0.264 351 G HA3 -0.324 3.637 3.960 0.003 0.000 0.264 351 G C -0.241 174.831 174.900 0.287 0.000 0.975 351 G CA 0.561 45.721 45.100 0.100 0.000 0.642 351 G HN 0.426 nan 8.290 nan 0.000 0.536 352 E N 0.780 121.148 120.200 0.281 0.000 2.166 352 E HA 0.415 4.766 4.350 0.003 0.000 0.275 352 E C -0.928 175.798 176.600 0.209 0.000 0.941 352 E CA -0.723 55.816 56.400 0.231 0.000 0.784 352 E CB 1.611 31.346 29.700 0.058 0.000 1.115 352 E HN 0.223 nan 8.360 nan 0.000 0.399 353 D N 2.331 122.804 120.400 0.121 0.000 2.365 353 D HA 0.032 4.673 4.640 0.003 0.000 0.237 353 D C 1.010 177.343 176.300 0.056 0.000 1.190 353 D CA -0.363 53.537 54.000 -0.168 0.000 0.867 353 D CB 0.826 41.504 40.800 -0.204 0.000 1.050 353 D HN 0.197 nan 8.370 nan 0.000 0.491 354 V N 1.764 121.709 119.914 0.052 0.000 3.461 354 V HA 0.109 4.231 4.120 0.003 0.000 0.267 354 V C 0.817 177.086 176.094 0.292 0.000 1.186 354 V CA 0.518 62.922 62.300 0.173 0.000 1.154 354 V CB -0.439 31.475 31.823 0.152 0.000 0.802 354 V HN 0.287 nan 8.190 nan 0.000 0.474 355 N N 1.969 120.775 118.700 0.177 0.000 2.251 355 N HA 0.056 4.798 4.740 0.003 0.000 0.217 355 N C 1.050 176.523 175.510 -0.063 0.000 1.124 355 N CA 0.765 53.851 53.050 0.059 0.000 0.843 355 N CB -0.031 38.498 38.487 0.070 0.000 1.024 355 N HN 0.802 nan 8.380 nan 0.000 0.501 356 D N -0.439 120.055 120.400 0.156 0.000 2.371 356 D HA -0.150 4.492 4.640 0.003 0.000 0.221 356 D C 1.612 178.065 176.300 0.255 0.000 0.986 356 D CA 0.207 54.261 54.000 0.089 0.000 0.899 356 D CB -0.525 40.474 40.800 0.333 0.000 0.902 356 D HN 0.502 nan 8.370 nan 0.000 0.530 357 W N 0.686 122.173 121.300 0.313 0.000 2.518 357 W HA 0.163 4.824 4.660 0.003 0.000 0.273 357 W C -0.131 176.451 176.519 0.105 0.000 1.247 357 W CA -0.774 56.758 57.345 0.311 0.000 1.288 357 W CB -0.793 28.852 29.460 0.308 0.000 1.107 357 W HN -0.280 nan 8.180 nan 0.000 0.586 358 I N 2.963 123.042 120.570 -0.818 0.000 2.906 358 I HA -0.003 4.169 4.170 0.003 0.000 0.301 358 I C 1.536 177.593 176.117 -0.100 0.000 1.221 358 I CA 0.866 61.662 61.300 -0.840 0.000 1.435 358 I CB -0.357 37.203 38.000 -0.733 0.000 1.345 358 I HN -0.009 nan 8.210 nan 0.000 0.558 359 G N 7.674 116.414 108.800 -0.101 0.000 2.588 359 G HA2 0.461 4.423 3.960 0.003 0.000 0.278 359 G HA3 0.461 4.423 3.960 0.003 0.000 0.278 359 G C -2.476 172.081 174.900 -0.572 0.000 1.307 359 G CA -0.945 44.101 45.100 -0.091 0.000 1.016 359 G HN 0.514 nan 8.290 nan 0.000 0.503 360 P HA 0.126 nan 4.420 nan 0.000 0.269 360 P C -2.615 174.127 177.300 -0.930 0.000 1.217 360 P CA -0.827 61.388 63.100 -1.475 0.000 0.783 360 P CB -0.256 30.983 31.700 -0.768 0.000 0.898 361 P HA 0.011 nan 4.420 nan 0.000 0.261 361 P C -0.279 176.789 177.300 -0.387 0.000 1.173 361 P CA 0.862 63.571 63.100 -0.651 0.000 0.760 361 P CB -0.152 31.030 31.700 -0.863 0.000 0.783 362 N N 0.675 119.228 118.700 -0.247 0.000 2.823 362 N HA 0.355 5.096 4.740 0.003 0.000 0.251 362 N C -1.646 173.804 175.510 -0.101 0.000 1.392 362 N CA -1.054 51.904 53.050 -0.154 0.000 0.864 362 N CB 1.147 39.545 38.487 -0.148 0.000 1.481 362 N HN 0.083 nan 8.380 nan 0.000 0.508 363 N N 0.201 118.859 118.700 -0.071 0.000 2.524 363 N HA 0.352 5.094 4.740 0.003 0.000 0.261 363 N C -1.284 174.202 175.510 -0.040 0.000 0.998 363 N CA -0.695 52.326 53.050 -0.048 0.000 0.915 363 N CB 0.842 39.306 38.487 -0.038 0.000 1.187 363 N HN 0.652 nan 8.380 nan 0.000 0.507 364 N N 1.958 120.638 118.700 -0.032 0.000 2.714 364 N HA -0.215 4.527 4.740 0.003 0.000 0.252 364 N C 0.972 176.463 175.510 -0.032 0.000 1.014 364 N CA 1.483 54.518 53.050 -0.024 0.000 0.735 364 N CB -1.051 37.424 38.487 -0.019 0.000 0.924 364 N HN 1.009 nan 8.380 nan 0.000 0.540 365 G N -2.947 105.828 108.800 -0.043 0.000 2.225 365 G HA2 -0.286 3.676 3.960 0.003 0.000 0.254 365 G HA3 -0.286 3.676 3.960 0.003 0.000 0.254 365 G C 0.108 174.970 174.900 -0.064 0.000 0.988 365 G CA 0.410 45.479 45.100 -0.052 0.000 0.625 365 G HN 1.381 nan 8.290 nan 0.000 0.527 366 V N 0.086 119.965 119.914 -0.059 0.000 2.406 366 V HA 0.759 4.880 4.120 0.003 0.000 0.272 366 V C 0.794 176.846 176.094 -0.070 0.000 1.043 366 V CA -1.688 60.577 62.300 -0.059 0.000 0.915 366 V CB 1.002 32.799 31.823 -0.044 0.000 0.988 366 V HN 0.280 nan 8.190 nan 0.000 0.466 367 I N 5.100 125.624 120.570 -0.077 0.000 2.752 367 I HA 0.140 4.312 4.170 0.003 0.000 0.289 367 I C 1.048 177.155 176.117 -0.017 0.000 1.197 367 I CA 0.461 61.724 61.300 -0.061 0.000 1.432 367 I CB -0.149 37.825 38.000 -0.043 0.000 1.359 367 I HN 0.684 nan 8.210 nan 0.000 0.571 368 K N 6.134 126.541 120.400 0.013 0.000 2.237 368 K HA 0.173 4.495 4.320 0.003 0.000 0.270 368 K C 0.274 176.960 176.600 0.144 0.000 1.015 368 K CA -0.571 55.748 56.287 0.054 0.000 0.949 368 K CB 0.544 33.056 32.500 0.019 0.000 0.976 368 K HN 0.665 nan 8.250 nan 0.000 0.472 369 E N 0.764 120.982 120.200 0.031 0.000 2.408 369 E HA 0.059 4.411 4.350 0.003 0.000 0.259 369 E C -0.680 175.848 176.600 -0.120 0.000 1.110 369 E CA -0.660 55.690 56.400 -0.083 0.000 0.929 369 E CB 0.565 30.217 29.700 -0.079 0.000 0.971 369 E HN 0.055 nan 8.360 nan 0.000 0.438 370 V N 2.821 122.440 119.914 -0.492 0.000 2.389 370 V HA 0.127 4.249 4.120 0.003 0.000 0.264 370 V C 0.331 176.256 176.094 -0.282 0.000 1.049 370 V CA -0.263 61.617 62.300 -0.701 0.000 0.932 370 V CB 0.469 31.469 31.823 -1.373 0.000 1.011 370 V HN 0.816 nan 8.190 nan 0.000 0.475 371 T N 4.220 118.713 114.554 -0.102 0.000 2.882 371 T HA 0.652 5.004 4.350 0.003 0.000 0.287 371 T C -0.443 174.234 174.700 -0.039 0.000 0.992 371 T CA -0.728 61.342 62.100 -0.050 0.000 1.076 371 T CB 1.449 70.313 68.868 -0.005 0.000 0.961 371 T HN 0.226 nan 8.240 nan 0.000 0.490 372 I N 2.958 123.511 120.570 -0.028 0.000 2.339 372 I HA 0.325 4.496 4.170 0.003 0.000 0.290 372 I C 0.420 176.536 176.117 -0.000 0.000 0.994 372 I CA -0.954 60.337 61.300 -0.015 0.000 1.191 372 I CB 0.724 38.719 38.000 -0.008 0.000 1.343 372 I HN 0.780 nan 8.210 nan 0.000 0.458 373 N N 3.335 122.038 118.700 0.005 0.000 2.445 373 N HA 0.345 5.087 4.740 0.003 0.000 0.264 373 N C 1.201 176.718 175.510 0.012 0.000 1.227 373 N CA -0.300 52.755 53.050 0.010 0.000 0.963 373 N CB 1.193 39.688 38.487 0.013 0.000 1.188 373 N HN 0.697 nan 8.380 nan 0.000 0.491 374 A N 0.671 123.499 122.820 0.012 0.000 2.019 374 A HA -0.182 4.140 4.320 0.003 0.000 0.219 374 A C 1.197 178.791 177.584 0.016 0.000 1.164 374 A CA 1.626 53.672 52.037 0.014 0.000 0.644 374 A CB -0.460 18.546 19.000 0.011 0.000 0.805 374 A HN 0.861 nan 8.150 nan 0.000 0.449 375 D N -1.417 118.992 120.400 0.015 0.000 2.319 375 D HA -0.003 4.638 4.640 0.003 0.000 0.230 375 D C 0.890 177.204 176.300 0.023 0.000 1.094 375 D CA 1.205 55.215 54.000 0.016 0.000 0.856 375 D CB -1.003 39.802 40.800 0.009 0.000 0.915 375 D HN 0.671 nan 8.370 nan 0.000 0.517 376 T N -4.212 110.356 114.554 0.022 0.000 6.386 376 T HA -0.269 4.083 4.350 0.003 0.000 0.278 376 T C 0.508 175.201 174.700 -0.012 0.000 2.163 376 T CA 1.464 63.572 62.100 0.014 0.000 3.541 376 T CB -3.061 65.833 68.868 0.044 0.000 1.383 376 T HN 0.586 nan 8.240 nan 0.000 1.186 377 T N -1.258 113.304 114.554 0.013 0.000 2.810 377 T HA 0.687 5.039 4.350 0.003 0.000 0.277 377 T C 0.798 175.510 174.700 0.020 0.000 0.973 377 T CA -0.284 61.836 62.100 0.033 0.000 0.949 377 T CB 1.390 70.292 68.868 0.056 0.000 1.075 377 T HN 0.624 nan 8.240 nan 0.000 0.537 378 c N 0.033 118.663 118.600 0.050 0.000 2.470 378 c HA 0.913 5.485 4.570 0.003 0.000 0.341 378 c C 1.269 175.406 174.090 0.078 0.000 1.190 378 c CA -0.387 55.976 56.329 0.057 0.000 1.904 378 c CB 0.937 43.505 42.510 0.098 0.000 2.354 378 c HN 1.206 nan 8.230 nan 0.000 0.509 379 G N 0.189 109.036 108.800 0.079 0.000 2.971 379 G HA2 0.473 4.435 3.960 0.003 0.000 0.235 379 G HA3 0.473 4.435 3.960 0.003 0.000 0.235 379 G C -0.113 174.854 174.900 0.111 0.000 1.351 379 G CA -0.217 44.924 45.100 0.069 0.000 1.039 379 G HN 0.747 nan 8.290 nan 0.000 0.563 380 N N 0.340 119.064 118.700 0.040 0.000 2.714 380 N HA -0.152 4.590 4.740 0.003 0.000 0.250 380 N C -0.024 175.357 175.510 -0.216 0.000 1.117 380 N CA 1.309 54.342 53.050 -0.027 0.000 0.719 380 N CB -0.599 37.932 38.487 0.074 0.000 1.081 380 N HN 0.670 nan 8.380 nan 0.000 0.557 381 D N -4.108 116.206 120.400 -0.143 0.000 3.079 381 D HA -0.235 4.407 4.640 0.003 0.000 0.214 381 D C -0.383 175.762 176.300 -0.258 0.000 1.145 381 D CA 1.075 54.956 54.000 -0.199 0.000 0.958 381 D CB -1.477 39.185 40.800 -0.230 0.000 1.117 381 D HN 0.548 nan 8.370 nan 0.000 0.416 382 W N 0.695 121.957 121.300 -0.062 0.000 2.311 382 W HA 0.332 4.995 4.660 0.004 0.000 0.310 382 W C 1.944 178.434 176.519 -0.049 0.000 1.274 382 W CA -0.617 56.701 57.345 -0.046 0.000 1.215 382 W CB 0.787 30.152 29.460 -0.158 0.000 1.227 382 W HN -0.135 nan 8.180 nan 0.000 0.523 383 V N 0.776 120.739 119.914 0.082 0.000 2.649 383 V HA -0.094 4.028 4.120 0.003 0.000 0.248 383 V C 1.001 177.118 176.094 0.038 0.000 1.054 383 V CA 0.375 62.628 62.300 -0.079 0.000 1.073 383 V CB -0.895 30.583 31.823 -0.575 0.000 0.699 383 V HN 0.786 nan 8.190 nan 0.000 0.463 384 c N 1.563 120.234 118.600 0.118 0.000 3.896 384 c HA -0.148 4.423 4.570 0.003 0.000 0.300 384 c C 1.552 175.457 174.090 -0.308 0.000 1.322 384 c CA 0.948 57.319 56.329 0.070 0.000 2.130 384 c CB -3.048 39.481 42.510 0.032 0.000 1.363 384 c HN 0.837 nan 8.230 nan 0.000 0.642 385 E N 0.392 120.291 120.200 -0.503 0.000 2.209 385 E HA -0.186 4.165 4.350 0.003 0.000 0.196 385 E C 1.941 178.232 176.600 -0.515 0.000 0.993 385 E CA 1.624 57.310 56.400 -1.191 0.000 0.819 385 E CB -0.161 29.024 29.700 -0.858 0.000 0.745 385 E HN 0.973 nan 8.360 nan 0.000 0.477 386 H N -0.142 118.810 119.070 -0.197 0.000 2.545 386 H HA 0.100 4.658 4.556 0.003 0.000 0.282 386 H C 1.343 176.774 175.328 0.172 0.000 1.020 386 H CA 0.865 56.950 56.048 0.061 0.000 1.243 386 H CB -0.006 29.737 29.762 -0.032 0.000 1.377 386 H HN 0.083 nan 8.280 nan 0.000 0.581 387 R N -0.636 119.561 120.500 -0.504 0.000 2.312 387 R HA 0.051 4.393 4.340 0.003 0.000 0.205 387 R C -0.169 176.243 176.300 0.187 0.000 0.904 387 R CA -0.431 55.486 56.100 -0.306 0.000 1.052 387 R CB 0.255 30.197 30.300 -0.596 0.000 1.014 387 R HN 0.104 nan 8.270 nan 0.000 0.503 388 W N 2.007 123.330 121.300 0.037 0.000 2.264 388 W HA 0.072 4.733 4.660 0.002 0.000 0.331 388 W C 1.586 178.185 176.519 0.133 0.000 1.364 388 W CA -0.819 56.580 57.345 0.090 0.000 1.253 388 W CB -0.008 29.532 29.460 0.134 0.000 1.215 388 W HN 0.104 nan 8.180 nan 0.000 0.561 389 R N 1.799 122.476 120.500 0.296 0.000 2.113 389 R HA -0.278 4.063 4.340 0.003 0.000 0.244 389 R C 1.446 177.874 176.300 0.214 0.000 1.142 389 R CA 2.474 58.699 56.100 0.209 0.000 0.953 389 R CB 0.069 30.433 30.300 0.106 0.000 0.860 389 R HN 0.447 nan 8.270 nan 0.000 0.438 390 E N 0.051 120.383 120.200 0.220 0.000 2.204 390 E HA -0.158 4.194 4.350 0.003 0.000 0.195 390 E C 1.754 178.532 176.600 0.295 0.000 0.990 390 E CA 1.155 57.681 56.400 0.210 0.000 0.821 390 E CB 0.011 29.852 29.700 0.234 0.000 0.750 390 E HN 0.377 nan 8.360 nan 0.000 0.477 391 I N -0.038 120.744 120.570 0.354 0.000 2.556 391 I HA -0.032 4.140 4.170 0.003 0.000 0.251 391 I C 2.349 178.640 176.117 0.290 0.000 1.105 391 I CA 0.711 62.192 61.300 0.302 0.000 1.436 391 I CB -0.974 37.206 38.000 0.299 0.000 1.139 391 I HN 0.093 nan 8.210 nan 0.000 0.438 392 R N 1.586 122.307 120.500 0.369 0.000 2.096 392 R HA -0.219 4.123 4.340 0.003 0.000 0.240 392 R C 1.736 178.203 176.300 0.279 0.000 1.139 392 R CA 1.943 58.291 56.100 0.413 0.000 0.952 392 R CB -0.209 30.380 30.300 0.482 0.000 0.854 392 R HN 0.345 nan 8.270 nan 0.000 0.436 393 N N -0.116 118.735 118.700 0.251 0.000 2.396 393 N HA -0.087 4.654 4.740 0.003 0.000 0.180 393 N C 1.538 177.229 175.510 0.302 0.000 1.028 393 N CA 0.929 54.135 53.050 0.259 0.000 0.893 393 N CB -0.074 38.532 38.487 0.197 0.000 0.967 393 N HN 0.230 nan 8.380 nan 0.000 0.440 394 M N 0.200 119.931 119.600 0.218 0.000 2.349 394 M HA 0.027 4.509 4.480 0.003 0.000 0.266 394 M C 1.994 178.368 176.300 0.123 0.000 1.076 394 M CA 0.551 55.944 55.300 0.155 0.000 1.126 394 M CB -0.768 31.881 32.600 0.083 0.000 1.392 394 M HN 0.041 nan 8.290 nan 0.000 0.440 395 V N -2.766 117.180 119.914 0.053 0.000 2.515 395 V HA -0.191 3.931 4.120 0.003 0.000 0.250 395 V C 2.157 178.199 176.094 -0.086 0.000 1.058 395 V CA 1.177 63.394 62.300 -0.138 0.000 1.064 395 V CB -1.177 30.337 31.823 -0.515 0.000 0.675 395 V HN 0.555 nan 8.190 nan 0.000 0.461 396 W N 0.459 121.691 121.300 -0.113 0.000 2.381 396 W HA -0.157 4.505 4.660 0.003 0.000 0.301 396 W C 2.421 178.856 176.519 -0.141 0.000 1.205 396 W CA 1.709 58.986 57.345 -0.113 0.000 1.285 396 W CB -0.433 29.007 29.460 -0.032 0.000 1.133 396 W HN 0.395 nan 8.180 nan 0.000 0.521 397 F N 1.631 121.561 119.950 -0.033 0.000 2.091 397 F HA -0.300 4.229 4.527 0.003 0.000 0.299 397 F C 2.807 178.486 175.800 -0.201 0.000 1.103 397 F CA 2.842 60.740 58.000 -0.171 0.000 1.228 397 F CB -0.640 38.395 39.000 0.059 0.000 0.984 397 F HN -0.239 nan 8.300 nan 0.000 0.477 398 R N 0.560 121.186 120.500 0.209 0.000 2.105 398 R HA -0.199 4.143 4.340 0.003 0.000 0.239 398 R C 1.995 178.207 176.300 -0.146 0.000 1.135 398 R CA 2.108 58.249 56.100 0.068 0.000 0.967 398 R CB -0.534 29.758 30.300 -0.013 0.000 0.861 398 R HN 0.496 nan 8.270 nan 0.000 0.442 399 N N -0.660 117.866 118.700 -0.290 0.000 2.084 399 N HA -0.150 4.591 4.740 0.003 0.000 0.190 399 N C 1.740 177.016 175.510 -0.390 0.000 1.030 399 N CA 1.338 54.155 53.050 -0.389 0.000 0.849 399 N CB 0.018 38.125 38.487 -0.633 0.000 1.012 399 N HN 0.001 nan 8.380 nan 0.000 0.423 400 V N 1.302 120.919 119.914 -0.494 0.000 2.392 400 V HA -0.154 3.968 4.120 0.003 0.000 0.249 400 V C 2.073 177.982 176.094 -0.307 0.000 1.059 400 V CA 1.552 63.600 62.300 -0.419 0.000 1.051 400 V CB -0.376 31.120 31.823 -0.544 0.000 0.658 400 V HN 0.367 nan 8.190 nan 0.000 0.455 401 V N -2.218 117.502 119.914 -0.324 0.000 3.647 401 V HA 0.239 4.361 4.120 0.003 0.000 0.279 401 V C 0.667 176.693 176.094 -0.114 0.000 1.314 401 V CA -0.183 61.982 62.300 -0.225 0.000 1.125 401 V CB -0.402 31.257 31.823 -0.274 0.000 0.907 401 V HN 0.456 nan 8.190 nan 0.000 0.434 402 D N 1.690 122.016 120.400 -0.123 0.000 2.586 402 D HA 0.333 4.974 4.640 0.003 0.000 0.234 402 D C 1.519 177.788 176.300 -0.051 0.000 1.132 402 D CA 2.179 56.131 54.000 -0.079 0.000 0.860 402 D CB 0.375 41.114 40.800 -0.102 0.000 1.159 402 D HN 0.648 nan 8.370 nan 0.000 0.490 403 G N 3.063 111.849 108.800 -0.023 0.000 2.253 403 G HA2 -0.263 3.698 3.960 0.003 0.000 0.251 403 G HA3 -0.263 3.698 3.960 0.003 0.000 0.251 403 G C 0.239 175.142 174.900 0.005 0.000 0.998 403 G CA 0.126 45.220 45.100 -0.011 0.000 0.621 403 G HN 0.591 nan 8.290 nan 0.000 0.524 404 Q N 1.699 121.502 119.800 0.006 0.000 2.314 404 Q HA 0.397 4.738 4.340 0.003 0.000 0.258 404 Q C -2.014 174.025 176.000 0.064 0.000 0.954 404 Q CA -1.321 54.497 55.803 0.025 0.000 0.890 404 Q CB 1.425 30.169 28.738 0.009 0.000 1.210 404 Q HN 0.438 nan 8.270 nan 0.000 0.410 405 P HA 0.083 nan 4.420 nan 0.000 0.278 405 P C -0.486 176.925 177.300 0.186 0.000 1.238 405 P CA -0.442 62.732 63.100 0.123 0.000 0.794 405 P CB 0.468 32.232 31.700 0.105 0.000 0.955 406 F N 2.271 122.245 119.950 0.039 0.000 2.578 406 F HA 0.337 4.865 4.527 0.003 0.000 0.376 406 F C -0.119 175.764 175.800 0.139 0.000 1.085 406 F CA 0.663 58.696 58.000 0.056 0.000 1.260 406 F CB 0.099 39.035 39.000 -0.106 0.000 1.095 406 F HN 0.581 nan 8.300 nan 0.000 0.573 407 A N 4.146 126.837 122.820 -0.216 0.000 2.581 407 A HA 0.437 4.759 4.320 0.003 0.000 0.290 407 A C -0.078 177.499 177.584 -0.013 0.000 1.119 407 A CA -0.602 51.399 52.037 -0.060 0.000 0.670 407 A CB 0.726 19.765 19.000 0.066 0.000 1.280 407 A HN 0.858 nan 8.150 nan 0.000 0.425 408 N N -0.255 118.510 118.700 0.109 0.000 2.716 408 N HA -0.160 4.582 4.740 0.003 0.000 0.250 408 N C -0.266 175.428 175.510 0.306 0.000 1.033 408 N CA 1.287 54.460 53.050 0.205 0.000 0.727 408 N CB -0.780 37.828 38.487 0.202 0.000 0.950 408 N HN 0.688 nan 8.380 nan 0.000 0.541 409 W N 0.804 122.153 121.300 0.082 0.000 2.181 409 W HA 0.327 4.988 4.660 0.003 0.000 0.335 409 W C -0.086 176.636 176.519 0.338 0.000 1.310 409 W CA -0.184 57.267 57.345 0.175 0.000 1.226 409 W CB 0.329 29.883 29.460 0.156 0.000 1.155 409 W HN 0.302 nan 8.180 nan 0.000 0.565 410 W N 7.630 128.543 121.300 -0.646 0.000 3.217 410 W HA 0.384 5.045 4.660 0.003 0.000 0.323 410 W C -1.789 174.357 176.519 -0.620 0.000 1.216 410 W CA -0.676 56.446 57.345 -0.371 0.000 1.194 410 W CB 1.057 30.449 29.460 -0.114 0.000 1.397 410 W HN 0.480 nan 8.180 nan 0.000 0.537 411 D N 1.717 121.248 120.400 -1.447 0.000 2.623 411 D HA 0.232 4.874 4.640 0.003 0.000 0.241 411 D C -0.385 175.068 176.300 -1.412 0.000 1.241 411 D CA -0.692 52.483 54.000 -1.376 0.000 0.788 411 D CB 1.205 41.801 40.800 -0.339 0.000 1.413 411 D HN 0.300 nan 8.370 nan 0.000 0.429 412 N N 0.628 118.758 118.700 -0.951 0.000 2.276 412 N HA 0.192 4.933 4.740 0.003 0.000 0.212 412 N C 1.321 176.769 175.510 -0.104 0.000 1.127 412 N CA 0.232 53.068 53.050 -0.357 0.000 0.834 412 N CB 0.251 38.721 38.487 -0.030 0.000 1.014 412 N HN 1.047 nan 8.380 nan 0.000 0.491 413 G N -1.375 107.353 108.800 -0.121 0.000 2.168 413 G HA2 -0.328 3.634 3.960 0.003 0.000 0.263 413 G HA3 -0.328 3.634 3.960 0.003 0.000 0.263 413 G C 0.359 175.270 174.900 0.018 0.000 0.977 413 G CA 0.786 45.889 45.100 0.004 0.000 0.659 413 G HN 0.657 nan 8.290 nan 0.000 0.533 414 S N -1.184 114.501 115.700 -0.025 0.000 3.697 414 S HA 0.436 4.907 4.470 0.003 0.000 0.184 414 S C 0.792 175.298 174.600 -0.157 0.000 1.045 414 S CA 0.491 58.670 58.200 -0.035 0.000 1.330 414 S CB 0.303 63.583 63.200 0.133 0.000 1.393 414 S HN 0.208 nan 8.310 nan 0.000 0.855 415 N N 1.454 120.041 118.700 -0.189 0.000 2.291 415 N HA 0.301 5.043 4.740 0.003 0.000 0.244 415 N C -1.198 174.187 175.510 -0.208 0.000 1.216 415 N CA 0.068 52.974 53.050 -0.240 0.000 0.879 415 N CB 1.095 39.413 38.487 -0.281 0.000 1.167 415 N HN 0.448 nan 8.380 nan 0.000 0.515 416 Q N 0.894 120.590 119.800 -0.174 0.000 2.331 416 Q HA 0.596 4.938 4.340 0.003 0.000 0.267 416 Q C -0.835 175.049 176.000 -0.194 0.000 1.006 416 Q CA -0.502 55.260 55.803 -0.068 0.000 0.818 416 Q CB 2.874 31.665 28.738 0.088 0.000 1.276 416 Q HN -0.113 nan 8.270 nan 0.000 0.450 417 V N 0.398 120.307 119.914 -0.009 0.000 3.159 417 V HA 0.958 5.079 4.120 0.003 0.000 0.308 417 V C -1.219 174.926 176.094 0.084 0.000 1.190 417 V CA -0.845 61.349 62.300 -0.178 0.000 1.037 417 V CB 2.202 33.859 31.823 -0.276 0.000 1.060 417 V HN 0.847 nan 8.190 nan 0.000 0.437 418 A N 1.989 124.724 122.820 -0.142 0.000 2.605 418 A HA 1.014 5.336 4.320 0.003 0.000 0.294 418 A C -1.543 175.888 177.584 -0.255 0.000 1.062 418 A CA -0.468 51.425 52.037 -0.240 0.000 0.682 418 A CB 1.914 20.776 19.000 -0.230 0.000 1.278 418 A HN 1.951 nan 8.150 nan 0.000 0.410 419 F N -1.054 118.540 119.950 -0.593 0.000 2.770 419 F HA 0.819 5.348 4.527 0.003 0.000 0.313 419 F C -0.069 175.526 175.800 -0.341 0.000 1.154 419 F CA -0.216 57.590 58.000 -0.324 0.000 0.923 419 F CB 0.663 39.566 39.000 -0.161 0.000 1.301 419 F HN 1.164 nan 8.300 nan 0.000 0.449 420 G N 0.567 109.493 108.800 0.211 0.000 3.013 420 G HA2 0.719 4.681 3.960 0.003 0.000 0.278 420 G HA3 0.719 4.681 3.960 0.003 0.000 0.278 420 G C -1.554 173.499 174.900 0.256 0.000 1.353 420 G CA -1.331 43.934 45.100 0.276 0.000 1.043 420 G HN 0.627 nan 8.290 nan 0.000 0.523 421 R N 0.137 120.749 120.500 0.188 0.000 2.472 421 R HA 0.472 4.814 4.340 0.003 0.000 0.294 421 R C 0.731 177.074 176.300 0.071 0.000 1.243 421 R CA 0.166 56.355 56.100 0.147 0.000 1.023 421 R CB 0.559 30.938 30.300 0.132 0.000 1.157 421 R HN 1.309 nan 8.270 nan 0.000 0.530 422 G N 3.567 112.413 108.800 0.075 0.000 2.611 422 G HA2 -0.424 3.538 3.960 0.003 0.000 0.301 422 G HA3 -0.424 3.538 3.960 0.003 0.000 0.301 422 G C 0.264 175.181 174.900 0.028 0.000 1.233 422 G CA 0.660 45.787 45.100 0.045 0.000 0.993 422 G HN 0.664 nan 8.290 nan 0.000 0.553 423 N N 0.679 119.384 118.700 0.009 0.000 2.328 423 N HA 0.225 4.967 4.740 0.003 0.000 0.247 423 N C 1.235 176.742 175.510 -0.006 0.000 1.165 423 N CA 0.115 53.163 53.050 -0.002 0.000 0.873 423 N CB 0.541 39.028 38.487 0.001 0.000 1.125 423 N HN 0.700 nan 8.380 nan 0.000 0.513 424 R N -1.079 119.407 120.500 -0.024 0.000 2.419 424 R HA 0.340 4.681 4.340 0.003 0.000 0.235 424 R C 0.144 176.374 176.300 -0.116 0.000 0.899 424 R CA 0.279 56.349 56.100 -0.050 0.000 1.048 424 R CB 1.217 31.468 30.300 -0.082 0.000 1.182 424 R HN 0.238 nan 8.270 nan 0.000 0.544 425 G N 0.460 109.187 108.800 -0.123 0.000 2.703 425 G HA2 0.494 4.456 3.960 0.003 0.000 0.294 425 G HA3 0.494 4.456 3.960 0.003 0.000 0.294 425 G C -2.115 172.864 174.900 0.133 0.000 1.451 425 G CA -0.397 44.588 45.100 -0.192 0.000 0.869 425 G HN 0.003 nan 8.290 nan 0.000 0.516 426 F N 1.192 121.181 119.950 0.064 0.000 2.608 426 F HA 0.799 5.328 4.527 0.003 0.000 0.309 426 F C -1.559 174.203 175.800 -0.064 0.000 1.103 426 F CA -1.214 56.766 58.000 -0.032 0.000 0.954 426 F CB 2.099 41.030 39.000 -0.116 0.000 1.267 426 F HN 0.480 nan 8.300 nan 0.000 0.444 427 I N 5.806 125.753 120.570 -1.039 0.000 2.722 427 I HA 0.640 4.812 4.170 0.003 0.000 0.295 427 I C -2.009 173.409 176.117 -1.165 0.000 1.161 427 I CA -0.891 59.846 61.300 -0.938 0.000 1.032 427 I CB 1.867 39.325 38.000 -0.902 0.000 1.244 427 I HN 0.470 nan 8.210 nan 0.000 0.421 428 V N 7.830 127.181 119.914 -0.938 0.000 2.638 428 V HA 0.636 4.758 4.120 0.003 0.000 0.306 428 V C -1.614 174.140 176.094 -0.566 0.000 1.052 428 V CA -0.320 61.556 62.300 -0.706 0.000 0.885 428 V CB 1.974 33.321 31.823 -0.794 0.000 0.999 428 V HN 0.527 nan 8.190 nan 0.000 0.424 429 F N 4.765 124.656 119.950 -0.098 0.000 2.532 429 F HA 0.590 5.119 4.527 0.003 0.000 0.321 429 F C 0.153 175.943 175.800 -0.016 0.000 1.089 429 F CA -0.647 57.340 58.000 -0.022 0.000 0.926 429 F CB 1.998 40.953 39.000 -0.076 0.000 1.168 429 F HN 0.530 nan 8.300 nan 0.000 0.459 430 N N 1.884 120.683 118.700 0.166 0.000 2.626 430 N HA 0.184 4.926 4.740 0.003 0.000 0.249 430 N C -0.817 174.675 175.510 -0.031 0.000 1.021 430 N CA -0.245 52.829 53.050 0.041 0.000 0.886 430 N CB 0.455 38.954 38.487 0.020 0.000 1.149 430 N HN 0.543 nan 8.380 nan 0.000 0.517 431 N N 2.023 120.654 118.700 -0.115 0.000 2.275 431 N HA 0.168 4.910 4.740 0.003 0.000 0.236 431 N C -1.062 174.280 175.510 -0.279 0.000 1.154 431 N CA -0.168 52.781 53.050 -0.168 0.000 0.866 431 N CB 0.291 38.664 38.487 -0.190 0.000 1.093 431 N HN 0.500 nan 8.380 nan 0.000 0.515 432 D N -0.625 119.519 120.400 -0.427 0.000 2.387 432 D HA 0.169 4.811 4.640 0.003 0.000 0.255 432 D C -0.306 175.622 176.300 -0.619 0.000 1.081 432 D CA -0.197 53.341 54.000 -0.771 0.000 0.994 432 D CB 1.009 40.885 40.800 -1.541 0.000 1.127 432 D HN 0.061 nan 8.370 nan 0.000 0.513 433 D N 0.871 120.930 120.400 -0.569 0.000 2.690 433 D HA 0.166 4.808 4.640 0.003 0.000 0.236 433 D C -0.255 176.134 176.300 0.148 0.000 1.218 433 D CA -0.060 53.873 54.000 -0.111 0.000 0.829 433 D CB -0.138 40.700 40.800 0.063 0.000 1.009 433 D HN 0.291 nan 8.370 nan 0.000 0.482 434 W N -0.849 120.473 121.300 0.037 0.000 3.005 434 W HA 0.320 4.982 4.660 0.003 0.000 0.343 434 W C -0.664 175.887 176.519 0.053 0.000 1.243 434 W CA -1.220 56.149 57.345 0.041 0.000 1.186 434 W CB 0.192 29.676 29.460 0.040 0.000 1.453 434 W HN -0.328 nan 8.180 nan 0.000 0.575 435 Q N 1.855 121.861 119.800 0.344 0.000 2.392 435 Q HA 0.294 4.636 4.340 0.003 0.000 0.262 435 Q C -1.031 175.135 176.000 0.277 0.000 1.003 435 Q CA -0.367 55.572 55.803 0.226 0.000 0.888 435 Q CB 0.974 29.821 28.738 0.182 0.000 1.260 435 Q HN 0.729 nan 8.270 nan 0.000 0.435 436 L N 2.877 124.205 121.223 0.175 0.000 2.282 436 L HA 0.464 4.806 4.340 0.003 0.000 0.288 436 L C -1.118 175.849 176.870 0.163 0.000 1.033 436 L CA -0.094 54.865 54.840 0.199 0.000 0.807 436 L CB 1.593 43.744 42.059 0.152 0.000 1.209 436 L HN 0.600 nan 8.230 nan 0.000 0.423 437 S N 3.229 119.029 115.700 0.166 0.000 2.571 437 S HA 0.663 5.135 4.470 0.003 0.000 0.238 437 S C -1.340 173.307 174.600 0.080 0.000 1.153 437 S CA -0.383 57.883 58.200 0.109 0.000 1.141 437 S CB 0.796 64.057 63.200 0.101 0.000 1.133 437 S HN 0.720 nan 8.310 nan 0.000 0.464 438 S N 2.259 117.973 115.700 0.022 0.000 2.556 438 S HA 0.554 5.026 4.470 0.003 0.000 0.271 438 S C -0.994 173.567 174.600 -0.065 0.000 1.135 438 S CA -0.805 57.352 58.200 -0.071 0.000 0.858 438 S CB 2.010 65.021 63.200 -0.314 0.000 1.114 438 S HN 0.534 nan 8.310 nan 0.000 0.468 439 T N 3.386 117.887 114.554 -0.089 0.000 2.743 439 T HA 0.545 4.897 4.350 0.003 0.000 0.292 439 T C -0.754 173.872 174.700 -0.124 0.000 0.972 439 T CA -0.504 61.550 62.100 -0.078 0.000 0.967 439 T CB 0.055 68.880 68.868 -0.071 0.000 0.926 439 T HN 0.243 nan 8.240 nan 0.000 0.459 440 L N 2.762 123.946 121.223 -0.065 0.000 2.341 440 L HA 0.558 4.899 4.340 0.003 0.000 0.267 440 L C 0.170 176.929 176.870 -0.186 0.000 1.009 440 L CA -1.141 53.608 54.840 -0.152 0.000 0.819 440 L CB 1.551 43.504 42.059 -0.176 0.000 1.323 440 L HN 0.534 nan 8.230 nan 0.000 0.425 441 Q N 0.660 120.337 119.800 -0.206 0.000 2.295 441 Q HA 0.212 4.554 4.340 0.003 0.000 0.259 441 Q C 0.741 176.393 176.000 -0.581 0.000 0.976 441 Q CA 0.290 55.936 55.803 -0.262 0.000 0.923 441 Q CB 1.111 29.776 28.738 -0.122 0.000 1.185 441 Q HN 0.774 nan 8.270 nan 0.000 0.410 442 T N 0.376 114.484 114.554 -0.742 0.000 3.037 442 T HA 0.259 4.611 4.350 0.003 0.000 0.252 442 T C 1.291 175.669 174.700 -0.536 0.000 1.073 442 T CA 0.434 61.783 62.100 -1.252 0.000 1.091 442 T CB -0.077 68.246 68.868 -0.908 0.000 0.935 442 T HN 1.028 nan 8.240 nan 0.000 0.488 443 G N 0.986 109.607 108.800 -0.298 0.000 2.179 443 G HA2 -0.177 3.785 3.960 0.003 0.000 0.260 443 G HA3 -0.177 3.785 3.960 0.003 0.000 0.260 443 G C -0.236 174.596 174.900 -0.114 0.000 0.977 443 G CA 0.277 45.296 45.100 -0.136 0.000 0.641 443 G HN 0.577 nan 8.290 nan 0.000 0.533 444 L N 0.928 122.045 121.223 -0.176 0.000 2.360 444 L HA 0.658 5.000 4.340 0.003 0.000 0.271 444 L C -1.777 175.058 176.870 -0.058 0.000 1.057 444 L CA -2.207 52.557 54.840 -0.128 0.000 0.803 444 L CB 0.862 42.745 42.059 -0.294 0.000 1.207 444 L HN -0.157 nan 8.230 nan 0.000 0.445 445 P HA 0.177 nan 4.420 nan 0.000 0.271 445 P C -0.132 177.227 177.300 0.099 0.000 1.218 445 P CA -0.344 62.790 63.100 0.057 0.000 0.780 445 P CB 0.484 32.230 31.700 0.076 0.000 0.901 446 G N 1.007 109.817 108.800 0.017 0.000 2.559 446 G HA2 0.440 4.401 3.960 0.003 0.000 0.235 446 G HA3 0.440 4.401 3.960 0.003 0.000 0.235 446 G C 0.168 175.092 174.900 0.040 0.000 1.266 446 G CA 0.515 45.603 45.100 -0.019 0.000 0.847 446 G HN 0.786 nan 8.290 nan 0.000 0.583 447 G N -0.887 107.931 108.800 0.030 0.000 2.341 447 G HA2 0.438 4.400 3.960 0.003 0.000 0.293 447 G HA3 0.438 4.400 3.960 0.003 0.000 0.293 447 G C -0.842 174.099 174.900 0.068 0.000 1.298 447 G CA -0.422 44.672 45.100 -0.010 0.000 0.868 447 G HN 0.784 nan 8.290 nan 0.000 0.540 448 T N 0.982 115.512 114.554 -0.040 0.000 2.749 448 T HA 0.630 4.982 4.350 0.003 0.000 0.287 448 T C -1.158 173.465 174.700 -0.129 0.000 0.970 448 T CA 0.174 62.305 62.100 0.051 0.000 0.980 448 T CB 0.563 69.447 68.868 0.026 0.000 0.924 448 T HN 0.362 nan 8.240 nan 0.000 0.456 449 Y N 0.717 121.011 120.300 -0.009 0.000 2.393 449 Y HA 0.399 4.951 4.550 0.003 0.000 0.341 449 Y C 0.488 176.362 175.900 -0.042 0.000 0.988 449 Y CA -1.079 57.000 58.100 -0.035 0.000 1.078 449 Y CB 1.096 39.539 38.460 -0.030 0.000 1.203 449 Y HN 0.563 nan 8.280 nan 0.000 0.453 450 c N 2.348 120.987 118.600 0.066 0.000 2.514 450 c HA 0.119 4.691 4.570 0.003 0.000 0.392 450 c C 0.357 174.459 174.090 0.020 0.000 1.294 450 c CA -0.651 55.686 56.329 0.013 0.000 1.957 450 c CB -0.539 41.950 42.510 -0.035 0.000 2.541 450 c HN 0.740 nan 8.230 nan 0.000 0.569 451 D N 1.698 122.105 120.400 0.011 0.000 2.343 451 D HA 0.165 4.807 4.640 0.003 0.000 0.255 451 D C 0.935 177.215 176.300 -0.034 0.000 1.187 451 D CA -0.327 53.670 54.000 -0.004 0.000 0.875 451 D CB 0.987 41.773 40.800 -0.024 0.000 1.136 451 D HN 0.435 nan 8.370 nan 0.000 0.469 452 V N 2.529 122.431 119.914 -0.020 0.000 3.623 452 V HA 0.045 4.167 4.120 0.003 0.000 0.271 452 V C 1.380 177.451 176.094 -0.038 0.000 1.248 452 V CA 0.221 62.523 62.300 0.003 0.000 1.156 452 V CB -0.637 31.252 31.823 0.110 0.000 0.870 452 V HN 0.516 nan 8.190 nan 0.000 0.453 453 I N 2.025 122.505 120.570 -0.150 0.000 2.628 453 I HA 0.006 4.178 4.170 0.003 0.000 0.255 453 I C 2.649 178.647 176.117 -0.197 0.000 1.119 453 I CA 1.844 62.976 61.300 -0.279 0.000 1.448 453 I CB -0.905 36.679 38.000 -0.693 0.000 1.133 453 I HN 0.592 nan 8.210 nan 0.000 0.438 454 S N -0.303 115.300 115.700 -0.161 0.000 2.501 454 S HA 0.327 4.799 4.470 0.003 0.000 0.220 454 S C 1.028 175.588 174.600 -0.066 0.000 0.997 454 S CA 0.373 58.508 58.200 -0.109 0.000 0.919 454 S CB 0.175 63.318 63.200 -0.096 0.000 0.778 454 S HN 0.416 nan 8.310 nan 0.000 0.523 455 G N -0.217 108.550 108.800 -0.055 0.000 2.664 455 G HA2 0.539 4.501 3.960 0.003 0.000 0.303 455 G HA3 0.539 4.501 3.960 0.003 0.000 0.303 455 G C -2.306 172.577 174.900 -0.028 0.000 1.243 455 G CA -0.645 44.434 45.100 -0.036 0.000 0.826 455 G HN 0.214 nan 8.290 nan 0.000 0.498 456 D N -0.394 119.987 120.400 -0.031 0.000 2.570 456 D HA 0.322 4.964 4.640 0.003 0.000 0.244 456 D C -1.043 175.226 176.300 -0.051 0.000 1.178 456 D CA -0.582 53.394 54.000 -0.041 0.000 0.881 456 D CB 2.950 43.726 40.800 -0.040 0.000 1.453 456 D HN 0.378 nan 8.370 nan 0.000 0.447 457 K N 1.311 121.669 120.400 -0.068 0.000 2.262 457 K HA 0.377 4.699 4.320 0.003 0.000 0.282 457 K C -0.814 175.744 176.600 -0.070 0.000 1.066 457 K CA -0.525 55.721 56.287 -0.069 0.000 0.901 457 K CB 0.761 33.215 32.500 -0.077 0.000 1.089 457 K HN 0.285 nan 8.250 nan 0.000 0.476 458 V N 2.199 122.079 119.914 -0.055 0.000 2.376 458 V HA 0.685 4.807 4.120 0.003 0.000 0.287 458 V C 0.549 176.617 176.094 -0.043 0.000 1.015 458 V CA 0.095 62.365 62.300 -0.050 0.000 0.834 458 V CB 0.293 32.093 31.823 -0.039 0.000 1.001 458 V HN 1.070 nan 8.190 nan 0.000 0.428 459 G N 5.287 114.062 108.800 -0.043 0.000 2.583 459 G HA2 -0.342 3.619 3.960 0.003 0.000 0.292 459 G HA3 -0.342 3.619 3.960 0.003 0.000 0.292 459 G C 0.474 175.350 174.900 -0.040 0.000 1.203 459 G CA 0.647 45.726 45.100 -0.036 0.000 0.987 459 G HN 1.849 nan 8.290 nan 0.000 0.554 460 N N 1.059 119.736 118.700 -0.038 0.000 2.546 460 N HA 0.380 5.122 4.740 0.003 0.000 0.286 460 N C 0.190 175.673 175.510 -0.046 0.000 1.259 460 N CA 0.885 53.908 53.050 -0.044 0.000 0.939 460 N CB 0.283 38.746 38.487 -0.040 0.000 1.243 460 N HN 1.359 nan 8.380 nan 0.000 0.511 461 S N -1.002 114.671 115.700 -0.045 0.000 2.661 461 S HA 0.678 5.150 4.470 0.003 0.000 0.285 461 S C -0.911 173.662 174.600 -0.045 0.000 1.138 461 S CA -0.660 57.514 58.200 -0.043 0.000 0.855 461 S CB 1.433 64.611 63.200 -0.037 0.000 1.136 461 S HN 0.209 nan 8.310 nan 0.000 0.484 462 c N 1.501 120.076 118.600 -0.041 0.000 2.456 462 c HA 0.731 5.302 4.570 0.003 0.000 0.325 462 c C 1.886 175.956 174.090 -0.035 0.000 1.217 462 c CA -0.004 56.302 56.329 -0.039 0.000 1.687 462 c CB 1.126 43.616 42.510 -0.034 0.000 2.270 462 c HN 1.090 nan 8.230 nan 0.000 0.499 463 T N -1.008 113.526 114.554 -0.034 0.000 3.065 463 T HA 0.314 4.665 4.350 0.003 0.000 0.252 463 T C 0.814 175.495 174.700 -0.030 0.000 1.099 463 T CA 0.700 62.782 62.100 -0.030 0.000 1.063 463 T CB 0.206 69.057 68.868 -0.027 0.000 0.948 463 T HN 0.861 nan 8.240 nan 0.000 0.506 464 G N 0.964 109.744 108.800 -0.033 0.000 3.264 464 G HA2 0.653 4.615 3.960 0.003 0.000 0.168 464 G HA3 0.653 4.615 3.960 0.003 0.000 0.168 464 G C -0.717 174.164 174.900 -0.032 0.000 1.145 464 G CA -1.254 43.825 45.100 -0.035 0.000 0.855 464 G HN 0.399 nan 8.290 nan 0.000 0.629 465 I N 1.178 121.728 120.570 -0.034 0.000 2.752 465 I HA 0.147 4.319 4.170 0.003 0.000 0.287 465 I C 0.150 176.259 176.117 -0.014 0.000 1.188 465 I CA 0.535 61.820 61.300 -0.026 0.000 1.427 465 I CB 0.756 38.740 38.000 -0.026 0.000 1.365 465 I HN 0.153 nan 8.210 nan 0.000 0.585 466 K N 5.024 125.417 120.400 -0.012 0.000 2.207 466 K HA 0.648 4.970 4.320 0.003 0.000 0.255 466 K C -1.277 175.328 176.600 0.008 0.000 0.941 466 K CA -0.771 55.519 56.287 0.005 0.000 0.825 466 K CB 2.431 34.928 32.500 -0.005 0.000 1.119 466 K HN 0.258 nan 8.250 nan 0.000 0.430 467 V N 3.128 123.067 119.914 0.042 0.000 2.448 467 V HA 0.175 4.297 4.120 0.003 0.000 0.295 467 V C -1.204 174.941 176.094 0.084 0.000 1.025 467 V CA -0.891 61.398 62.300 -0.017 0.000 0.859 467 V CB 0.962 32.758 31.823 -0.045 0.000 0.988 467 V HN 0.634 nan 8.190 nan 0.000 0.431 468 Y N 6.355 126.585 120.300 -0.117 0.000 2.434 468 Y HA 0.603 5.155 4.550 0.003 0.000 0.341 468 Y C -0.070 175.774 175.900 -0.094 0.000 0.965 468 Y CA -1.143 56.917 58.100 -0.066 0.000 1.205 468 Y CB 1.443 39.854 38.460 -0.082 0.000 1.121 468 Y HN 0.526 nan 8.280 nan 0.000 0.507 469 V N 4.269 123.975 119.914 -0.346 0.000 2.407 469 V HA 0.671 4.793 4.120 0.003 0.000 0.278 469 V C 0.086 175.795 176.094 -0.641 0.000 1.037 469 V CA -0.333 61.718 62.300 -0.416 0.000 0.900 469 V CB 0.511 32.204 31.823 -0.216 0.000 0.983 469 V HN 0.858 nan 8.190 nan 0.000 0.459 470 S N 3.725 119.073 115.700 -0.585 0.000 2.634 470 S HA 0.216 4.687 4.470 0.003 0.000 0.261 470 S C 1.512 175.962 174.600 -0.251 0.000 1.271 470 S CA 0.024 57.937 58.200 -0.478 0.000 0.985 470 S CB 0.933 63.952 63.200 -0.303 0.000 0.968 470 S HN 1.639 nan 8.310 nan 0.000 0.568 471 S N 0.321 115.927 115.700 -0.157 0.000 2.440 471 S HA -0.190 4.281 4.470 0.003 0.000 0.238 471 S C 1.083 175.633 174.600 -0.084 0.000 1.010 471 S CA 1.201 59.346 58.200 -0.091 0.000 0.972 471 S CB -0.922 62.247 63.200 -0.051 0.000 0.774 471 S HN 0.896 nan 8.310 nan 0.000 0.501 472 D N 0.287 120.629 120.400 -0.097 0.000 2.340 472 D HA 0.257 4.898 4.640 0.003 0.000 0.220 472 D C 1.437 177.674 176.300 -0.106 0.000 1.039 472 D CA 0.633 54.583 54.000 -0.083 0.000 0.866 472 D CB -0.643 40.115 40.800 -0.071 0.000 0.913 472 D HN 0.596 nan 8.370 nan 0.000 0.523 473 G N 0.013 108.729 108.800 -0.140 0.000 2.175 473 G HA2 -0.255 3.707 3.960 0.003 0.000 0.244 473 G HA3 -0.255 3.707 3.960 0.003 0.000 0.244 473 G C 0.486 175.249 174.900 -0.228 0.000 0.982 473 G CA 0.431 45.425 45.100 -0.175 0.000 0.641 473 G HN 0.792 nan 8.290 nan 0.000 0.527 474 T N -1.326 113.105 114.554 -0.204 0.000 2.913 474 T HA 0.880 5.232 4.350 0.003 0.000 0.287 474 T C 0.046 174.596 174.700 -0.250 0.000 1.008 474 T CA 0.608 62.585 62.100 -0.206 0.000 1.067 474 T CB 2.294 71.073 68.868 -0.148 0.000 0.996 474 T HN 1.948 nan 8.240 nan 0.000 0.513 475 A N 1.413 124.084 122.820 -0.247 0.000 2.594 475 A HA 0.644 4.965 4.320 0.003 0.000 0.295 475 A C -0.943 176.378 177.584 -0.439 0.000 1.071 475 A CA -0.980 50.825 52.037 -0.386 0.000 0.685 475 A CB 1.880 20.555 19.000 -0.542 0.000 1.285 475 A HN 0.838 nan 8.150 nan 0.000 0.405 476 Q N 0.639 120.168 119.800 -0.452 0.000 2.274 476 Q HA 0.674 5.016 4.340 0.003 0.000 0.256 476 Q C -1.938 173.732 176.000 -0.551 0.000 0.927 476 Q CA 0.290 55.893 55.803 -0.333 0.000 0.939 476 Q CB 0.225 28.863 28.738 -0.167 0.000 1.201 476 Q HN 0.424 nan 8.270 nan 0.000 0.426 477 F N 1.669 121.571 119.950 -0.080 0.000 2.482 477 F HA 0.538 5.066 4.527 0.003 0.000 0.331 477 F C -0.246 175.527 175.800 -0.046 0.000 1.115 477 F CA -0.603 57.357 58.000 -0.066 0.000 0.955 477 F CB 2.354 41.300 39.000 -0.091 0.000 1.136 477 F HN 0.432 nan 8.300 nan 0.000 0.452 478 S N 4.786 120.561 115.700 0.126 0.000 2.774 478 S HA 0.648 5.119 4.470 0.003 0.000 0.297 478 S C -0.759 173.891 174.600 0.083 0.000 1.143 478 S CA -0.467 57.785 58.200 0.086 0.000 1.090 478 S CB 0.617 63.843 63.200 0.043 0.000 1.019 478 S HN 0.416 nan 8.310 nan 0.000 0.482 479 I N 2.124 122.746 120.570 0.087 0.000 2.439 479 I HA 0.344 4.516 4.170 0.003 0.000 0.285 479 I C 0.281 176.433 176.117 0.060 0.000 1.021 479 I CA -0.500 60.838 61.300 0.064 0.000 1.091 479 I CB 1.925 39.960 38.000 0.058 0.000 1.242 479 I HN 0.506 nan 8.210 nan 0.000 0.439 480 S N 4.473 120.202 115.700 0.047 0.000 2.576 480 S HA 0.080 4.552 4.470 0.003 0.000 0.276 480 S C 1.400 176.020 174.600 0.033 0.000 1.339 480 S CA -0.581 57.648 58.200 0.048 0.000 1.039 480 S CB 0.532 63.757 63.200 0.040 0.000 0.902 480 S HN 0.758 nan 8.310 nan 0.000 0.516 481 N N 2.521 121.237 118.700 0.028 0.000 2.550 481 N HA -0.089 4.653 4.740 0.003 0.000 0.186 481 N C 1.020 176.537 175.510 0.013 0.000 1.110 481 N CA 0.905 53.954 53.050 -0.002 0.000 0.912 481 N CB -0.341 38.130 38.487 -0.027 0.000 0.968 481 N HN 0.535 nan 8.380 nan 0.000 0.448 482 S N -1.381 114.333 115.700 0.024 0.000 2.557 482 S HA 0.486 4.957 4.470 0.003 0.000 0.223 482 S C 0.791 175.403 174.600 0.019 0.000 0.969 482 S CA -0.513 57.700 58.200 0.022 0.000 0.927 482 S CB 0.017 63.233 63.200 0.026 0.000 0.806 482 S HN 0.460 nan 8.310 nan 0.000 0.489 483 A N 2.872 125.704 122.820 0.020 0.000 2.483 483 A HA 0.336 4.658 4.320 0.003 0.000 0.238 483 A C 1.728 179.320 177.584 0.013 0.000 1.070 483 A CA 0.040 52.085 52.037 0.012 0.000 0.770 483 A CB 0.251 19.258 19.000 0.011 0.000 1.008 483 A HN 0.497 nan 8.150 nan 0.000 0.497 484 E N 1.627 121.825 120.200 -0.002 0.000 2.070 484 E HA -0.189 4.163 4.350 0.003 0.000 0.197 484 E C -0.519 176.091 176.600 0.016 0.000 1.004 484 E CA 1.749 58.146 56.400 -0.006 0.000 0.805 484 E CB -0.349 29.333 29.700 -0.029 0.000 0.744 484 E HN 0.625 nan 8.360 nan 0.000 0.451 485 D N 1.844 122.246 120.400 0.004 0.000 2.469 485 D HA 0.185 4.826 4.640 0.003 0.000 0.251 485 D C -2.217 174.117 176.300 0.057 0.000 1.173 485 D CA -1.584 52.445 54.000 0.050 0.000 0.882 485 D CB 2.034 42.772 40.800 -0.104 0.000 1.129 485 D HN 0.098 nan 8.370 nan 0.000 0.549 486 P HA 0.073 nan 4.420 nan 0.000 0.269 486 P C -0.699 176.749 177.300 0.247 0.000 1.601 486 P CA -0.080 63.114 63.100 0.158 0.000 0.831 486 P CB -0.848 30.926 31.700 0.123 0.000 1.688 487 F N -1.678 118.214 119.950 -0.098 0.000 2.654 487 F HA 0.686 5.215 4.527 0.003 0.000 0.308 487 F C -1.652 173.992 175.800 -0.259 0.000 1.108 487 F CA -1.669 56.166 58.000 -0.275 0.000 0.957 487 F CB 1.116 39.820 39.000 -0.493 0.000 1.309 487 F HN -0.341 nan 8.300 nan 0.000 0.446 488 I N 2.237 122.612 120.570 -0.325 0.000 2.647 488 I HA 0.801 4.973 4.170 0.003 0.000 0.295 488 I C -0.920 175.035 176.117 -0.270 0.000 1.078 488 I CA -1.145 59.991 61.300 -0.274 0.000 1.048 488 I CB 2.205 40.179 38.000 -0.043 0.000 1.239 488 I HN 0.999 nan 8.210 nan 0.000 0.421 489 A N 7.073 129.793 122.820 -0.166 0.000 2.422 489 A HA 0.923 5.245 4.320 0.003 0.000 0.302 489 A C -1.003 176.658 177.584 0.128 0.000 1.041 489 A CA -0.480 51.528 52.037 -0.050 0.000 0.708 489 A CB 1.498 20.422 19.000 -0.127 0.000 1.257 489 A HN 0.697 nan 8.150 nan 0.000 0.414 490 I N -0.229 120.482 120.570 0.234 0.000 2.865 490 I HA 0.931 5.103 4.170 0.003 0.000 0.302 490 I C -0.715 175.502 176.117 0.166 0.000 1.140 490 I CA -0.969 60.410 61.300 0.133 0.000 1.021 490 I CB 2.451 40.468 38.000 0.029 0.000 1.233 490 I HN 0.962 nan 8.210 nan 0.000 0.427 491 H N 2.490 121.657 119.070 0.160 0.000 2.990 491 H HA 0.729 5.287 4.556 0.002 0.000 0.336 491 H C 0.327 175.781 175.328 0.209 0.000 1.306 491 H CA -0.404 55.658 56.048 0.024 0.000 1.118 491 H CB 1.195 30.844 29.762 -0.188 0.000 1.856 491 H HN 0.669 nan 8.280 nan 0.000 0.538 492 A N 0.118 123.146 122.820 0.346 0.000 1.997 492 A HA -0.209 4.112 4.320 0.003 0.000 0.221 492 A C 1.375 179.134 177.584 0.291 0.000 1.172 492 A CA 2.024 54.244 52.037 0.305 0.000 0.645 492 A CB -0.802 18.295 19.000 0.162 0.000 0.813 492 A HN 0.796 nan 8.150 nan 0.000 0.454 493 E N -0.323 120.188 120.200 0.518 0.000 2.465 493 E HA 0.021 4.373 4.350 0.003 0.000 0.191 493 E C 1.209 177.915 176.600 0.177 0.000 1.053 493 E CA 0.510 57.145 56.400 0.391 0.000 0.869 493 E CB 0.077 30.111 29.700 0.556 0.000 0.977 493 E HN 0.732 nan 8.360 nan 0.000 0.483 494 S N 0.156 115.813 115.700 -0.073 0.000 2.578 494 S HA 0.113 4.585 4.470 0.003 0.000 0.231 494 S C 0.535 175.069 174.600 -0.110 0.000 0.994 494 S CA -0.476 57.619 58.200 -0.175 0.000 0.956 494 S CB 0.143 63.116 63.200 -0.380 0.000 0.870 494 S HN -0.029 nan 8.310 nan 0.000 0.494 495 K N 1.433 121.729 120.400 -0.173 0.000 2.322 495 K HA 0.317 4.639 4.320 0.003 0.000 0.283 495 K C -0.482 175.941 176.600 -0.294 0.000 1.042 495 K CA -0.630 55.342 56.287 -0.525 0.000 0.958 495 K CB 0.375 32.449 32.500 -0.709 0.000 0.984 495 K HN 0.123 nan 8.250 nan 0.000 0.473 496 L N 0.000 121.055 121.223 -0.281 0.000 2.949 496 L HA 0.000 4.342 4.340 0.003 0.000 0.249 496 L CA 0.000 54.743 54.840 -0.161 0.000 0.813 496 L CB 0.000 41.986 42.059 -0.122 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502