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 1io7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYDWFSEMRK KDPVYYDGNI WQVFSYRYTK EVLNNFSKFS SDLTGYHERL DATA SEQUENCE EDLRNGKIRF DIPTRYTMLT SDPPLHDELR SMSADIFSPQ KLQTLETFIR DATA SEQUENCE ETTRSLLDSI DPREDDIVKK LAVPLPIIVI SKILGLPIED KEKFKEWSDL DATA SEQUENCE VAFRLGKPGE IFELGKKYLE LIGYVKDHLN SGTEVVSRVV NSNLSDIEKL DATA SEQUENCE GYIILLLIAG NETTTNLISN SVIDFTRFNL WQRIREENLY LKAIEEALRY DATA SEQUENCE SPPVMRTVRK TKERVKLGDQ TIEEGEYVRV WIASANRDEE VFHDGEKFIP DATA SEQUENCE DRNPNPHLSF GSGIHLCLGA PLARLEARIA IEEFSKRFRH IEILDTEKVP DATA SEQUENCE NEVLNGYKRL VVRLKS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.827 176.300 -0.788 0.000 1.140 1 M CA 0.000 55.010 55.300 -0.484 0.000 0.988 1 M CB 0.000 32.249 32.600 -0.585 0.000 1.302 2 Y N 1.920 121.968 120.300 -0.419 0.000 2.373 2 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 2 Y C 2.098 177.931 175.900 -0.111 0.000 1.129 2 Y CA 1.874 59.837 58.100 -0.228 0.000 1.226 2 Y CB -0.020 38.410 38.460 -0.049 0.000 1.000 2 Y HN 0.436 nan 8.280 nan 0.000 0.549 3 D N -1.097 119.321 120.400 0.030 0.000 2.149 3 D HA -0.199 4.440 4.640 -0.001 0.000 0.201 3 D C 1.690 177.990 176.300 0.001 0.000 0.972 3 D CA 1.089 55.107 54.000 0.029 0.000 0.835 3 D CB -0.428 40.386 40.800 0.023 0.000 0.966 3 D HN 0.466 nan 8.370 nan 0.000 0.476 4 W N 1.593 122.741 121.300 -0.252 0.000 2.358 4 W HA -0.193 4.467 4.660 -0.001 0.000 0.303 4 W C 1.812 178.170 176.519 -0.268 0.000 1.208 4 W CA 0.950 58.119 57.345 -0.294 0.000 1.274 4 W CB -0.566 28.666 29.460 -0.379 0.000 1.138 4 W HN -0.190 nan 8.180 nan 0.000 0.515 5 F N 1.525 121.204 119.950 -0.451 0.000 2.095 5 F HA -0.265 4.261 4.527 -0.001 0.000 0.298 5 F C 3.038 178.573 175.800 -0.442 0.000 1.104 5 F CA 1.957 59.589 58.000 -0.613 0.000 1.232 5 F CB -1.726 37.114 39.000 -0.266 0.000 0.987 5 F HN 0.050 nan 8.300 nan 0.000 0.475 6 S N -0.159 115.535 115.700 -0.010 0.000 2.370 6 S HA -0.192 4.278 4.470 -0.001 0.000 0.226 6 S C 1.820 176.345 174.600 -0.126 0.000 1.033 6 S CA 1.381 59.562 58.200 -0.030 0.000 1.011 6 S CB -0.564 62.648 63.200 0.020 0.000 0.852 6 S HN 0.398 nan 8.310 nan 0.000 0.457 7 E N 1.184 121.273 120.200 -0.186 0.000 2.077 7 E HA -0.061 4.288 4.350 -0.001 0.000 0.193 7 E C 2.197 178.606 176.600 -0.320 0.000 0.989 7 E CA 1.128 57.407 56.400 -0.203 0.000 0.800 7 E CB -0.397 29.203 29.700 -0.167 0.000 0.746 7 E HN 0.514 nan 8.360 nan 0.000 0.452 8 M N 0.316 119.552 119.600 -0.607 0.000 2.175 8 M HA -0.073 4.406 4.480 -0.001 0.000 0.264 8 M C 2.155 178.217 176.300 -0.397 0.000 1.063 8 M CA 1.207 56.035 55.300 -0.786 0.000 1.119 8 M CB -0.893 30.583 32.600 -1.873 0.000 1.377 8 M HN 0.038 nan 8.290 nan 0.000 0.415 9 R N 0.135 120.478 120.500 -0.263 0.000 2.096 9 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 9 R C 2.258 178.550 176.300 -0.014 0.000 1.127 9 R CA 1.144 57.221 56.100 -0.038 0.000 0.968 9 R CB -0.111 30.193 30.300 0.008 0.000 0.861 9 R HN 0.439 nan 8.270 nan 0.000 0.440 10 K N 0.118 120.483 120.400 -0.059 0.000 2.044 10 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 10 K C 1.817 178.407 176.600 -0.017 0.000 1.049 10 K CA 0.893 57.164 56.287 -0.026 0.000 0.945 10 K CB 0.202 32.680 32.500 -0.036 0.000 0.724 10 K HN -0.019 nan 8.250 nan 0.000 0.440 11 K N 0.038 120.404 120.400 -0.057 0.000 2.335 11 K HA 0.095 4.414 4.320 -0.001 0.000 0.195 11 K C -0.091 176.506 176.600 -0.005 0.000 1.058 11 K CA 0.664 56.931 56.287 -0.033 0.000 0.988 11 K CB 0.671 33.136 32.500 -0.058 0.000 0.880 11 K HN 0.090 nan 8.250 nan 0.000 0.513 12 D N 1.275 121.655 120.400 -0.034 0.000 2.978 12 D HA 0.085 4.724 4.640 -0.001 0.000 0.268 12 D C -2.165 174.237 176.300 0.170 0.000 1.252 12 D CA -0.962 53.081 54.000 0.072 0.000 0.771 12 D CB 1.843 42.663 40.800 0.033 0.000 1.361 12 D HN -0.124 nan 8.370 nan 0.000 0.558 13 P HA -0.092 nan 4.420 nan 0.000 0.219 13 P C 0.665 178.257 177.300 0.488 0.000 1.146 13 P CA 0.689 64.019 63.100 0.385 0.000 0.808 13 P CB 0.691 32.628 31.700 0.394 0.000 0.779 14 V N 0.674 120.827 119.914 0.399 0.000 2.357 14 V HA 0.285 4.404 4.120 -0.001 0.000 0.281 14 V C -0.931 175.526 176.094 0.605 0.000 1.015 14 V CA -0.822 61.721 62.300 0.404 0.000 0.827 14 V CB 0.906 32.810 31.823 0.135 0.000 1.018 14 V HN -0.016 nan 8.190 nan 0.000 0.432 15 Y N 5.392 126.006 120.300 0.522 0.000 2.376 15 Y HA 0.676 5.225 4.550 -0.001 0.000 0.340 15 Y C -1.444 174.597 175.900 0.236 0.000 0.965 15 Y CA -1.521 56.818 58.100 0.398 0.000 1.078 15 Y CB 1.720 40.427 38.460 0.412 0.000 1.193 15 Y HN 0.603 nan 8.280 nan 0.000 0.452 16 Y N 6.643 126.426 120.300 -0.862 0.000 2.331 16 Y HA 0.323 4.872 4.550 -0.001 0.000 0.338 16 Y C -0.132 175.042 175.900 -1.209 0.000 0.976 16 Y CA -1.619 55.692 58.100 -1.316 0.000 1.137 16 Y CB 1.008 38.393 38.460 -1.792 0.000 1.172 16 Y HN 0.731 nan 8.280 nan 0.000 0.478 17 D N 2.791 122.413 120.400 -1.297 0.000 2.559 17 D HA 0.314 4.954 4.640 -0.001 0.000 0.234 17 D C 1.248 177.101 176.300 -0.745 0.000 1.226 17 D CA 0.400 53.868 54.000 -0.887 0.000 0.830 17 D CB 0.118 40.680 40.800 -0.397 0.000 1.028 17 D HN 0.838 nan 8.370 nan 0.000 0.492 18 G N 1.722 109.762 108.800 -1.267 0.000 2.850 18 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.207 18 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.207 18 G C 1.044 175.593 174.900 -0.585 0.000 1.302 18 G CA 0.271 44.901 45.100 -0.784 0.000 0.832 18 G HN 0.439 nan 8.290 nan 0.000 0.543 19 N N 1.256 119.725 118.700 -0.385 0.000 2.571 19 N HA 0.254 4.994 4.740 -0.001 0.000 0.195 19 N C 1.347 176.895 175.510 0.064 0.000 1.040 19 N CA 1.259 54.256 53.050 -0.088 0.000 0.890 19 N CB 0.189 38.666 38.487 -0.016 0.000 1.233 19 N HN 0.959 nan 8.380 nan 0.000 0.435 20 I N -4.405 116.173 120.570 0.013 0.000 3.067 20 I HA 0.633 4.802 4.170 -0.001 0.000 0.312 20 I C -1.210 175.003 176.117 0.160 0.000 1.073 20 I CA -1.203 60.211 61.300 0.190 0.000 1.016 20 I CB 1.734 39.857 38.000 0.205 0.000 1.227 20 I HN -0.199 nan 8.210 nan 0.000 0.456 21 W N 1.612 123.076 121.300 0.273 0.000 2.449 21 W HA 0.586 5.245 4.660 -0.001 0.000 0.331 21 W C -0.546 176.068 176.519 0.160 0.000 1.119 21 W CA -0.067 57.421 57.345 0.238 0.000 1.240 21 W CB 1.518 31.074 29.460 0.160 0.000 1.251 21 W HN 0.404 nan 8.180 nan 0.000 0.576 22 Q N 1.705 121.763 119.800 0.431 0.000 2.347 22 Q HA 0.569 4.908 4.340 -0.001 0.000 0.271 22 Q C -1.324 174.722 176.000 0.077 0.000 1.064 22 Q CA -0.984 54.947 55.803 0.214 0.000 0.800 22 Q CB 2.844 31.792 28.738 0.350 0.000 1.304 22 Q HN 0.190 nan 8.270 nan 0.000 0.438 23 V N 2.856 122.674 119.914 -0.160 0.000 2.495 23 V HA 0.392 4.512 4.120 -0.001 0.000 0.298 23 V C -0.566 175.346 176.094 -0.303 0.000 1.031 23 V CA -0.256 61.990 62.300 -0.090 0.000 0.871 23 V CB 1.103 32.912 31.823 -0.023 0.000 0.988 23 V HN 0.798 nan 8.190 nan 0.000 0.432 24 F N 0.732 120.757 119.950 0.125 0.000 2.740 24 F HA 0.155 4.682 4.527 -0.001 0.000 0.304 24 F C 1.574 177.370 175.800 -0.006 0.000 1.098 24 F CA 0.055 58.040 58.000 -0.025 0.000 1.258 24 F CB 0.287 39.186 39.000 -0.168 0.000 1.061 24 F HN 0.530 nan 8.300 nan 0.000 0.598 25 S N -0.739 115.107 115.700 0.243 0.000 2.617 25 S HA 0.091 4.561 4.470 -0.001 0.000 0.269 25 S C 0.736 175.412 174.600 0.126 0.000 1.292 25 S CA -0.521 57.778 58.200 0.165 0.000 1.010 25 S CB 0.713 63.984 63.200 0.118 0.000 0.944 25 S HN 0.313 nan 8.310 nan 0.000 0.536 26 Y N 1.915 122.224 120.300 0.015 0.000 2.163 26 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 26 Y C 2.791 178.652 175.900 -0.064 0.000 1.136 26 Y CA 2.038 60.150 58.100 0.020 0.000 1.147 26 Y CB -0.321 38.173 38.460 0.057 0.000 0.987 26 Y HN 0.812 nan 8.280 nan 0.000 0.509 27 R N -0.592 119.928 120.500 0.033 0.000 2.094 27 R HA -0.241 4.098 4.340 -0.001 0.000 0.239 27 R C 2.041 178.192 176.300 -0.249 0.000 1.137 27 R CA 2.496 58.489 56.100 -0.180 0.000 0.943 27 R CB -0.947 29.093 30.300 -0.433 0.000 0.850 27 R HN 0.569 nan 8.270 nan 0.000 0.433 28 Y N -0.453 119.841 120.300 -0.009 0.000 2.337 28 Y HA -0.111 4.438 4.550 -0.001 0.000 0.293 28 Y C 2.619 178.425 175.900 -0.156 0.000 1.123 28 Y CA 1.045 59.104 58.100 -0.069 0.000 1.201 28 Y CB -0.176 38.269 38.460 -0.026 0.000 1.011 28 Y HN 0.341 nan 8.280 nan 0.000 0.545 29 T N -1.362 113.171 114.554 -0.035 0.000 2.821 29 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 29 T C 1.766 176.350 174.700 -0.192 0.000 1.046 29 T CA 1.332 63.353 62.100 -0.133 0.000 1.139 29 T CB -0.230 68.560 68.868 -0.129 0.000 0.871 29 T HN 0.208 nan 8.240 nan 0.000 0.454 30 K N 0.933 121.183 120.400 -0.250 0.000 2.057 30 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 30 K C 2.547 179.072 176.600 -0.126 0.000 1.050 30 K CA 1.310 57.455 56.287 -0.236 0.000 0.935 30 K CB -0.144 32.156 32.500 -0.333 0.000 0.715 30 K HN 0.534 nan 8.250 nan 0.000 0.439 31 E N 0.068 120.212 120.200 -0.092 0.000 2.058 31 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 31 E C 1.861 178.391 176.600 -0.117 0.000 0.997 31 E CA 1.325 57.700 56.400 -0.041 0.000 0.801 31 E CB 0.140 29.871 29.700 0.051 0.000 0.746 31 E HN 0.097 nan 8.360 nan 0.000 0.450 32 V N 1.325 121.052 119.914 -0.312 0.000 2.261 32 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 32 V C 2.474 178.418 176.094 -0.250 0.000 1.047 32 V CA 1.607 63.497 62.300 -0.683 0.000 1.015 32 V CB -0.445 30.886 31.823 -0.820 0.000 0.642 32 V HN 0.342 nan 8.190 nan 0.000 0.446 33 L N -0.059 121.079 121.223 -0.142 0.000 2.079 33 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 33 L C 2.172 179.092 176.870 0.083 0.000 1.081 33 L CA 1.992 56.824 54.840 -0.013 0.000 0.752 33 L CB -0.654 41.390 42.059 -0.025 0.000 0.896 33 L HN 0.423 nan 8.230 nan 0.000 0.433 34 N N -0.807 117.928 118.700 0.057 0.000 2.376 34 N HA -0.096 4.644 4.740 -0.001 0.000 0.177 34 N C 0.878 176.450 175.510 0.104 0.000 1.024 34 N CA 0.227 53.342 53.050 0.109 0.000 0.893 34 N CB 0.012 38.534 38.487 0.059 0.000 0.980 34 N HN 0.091 nan 8.380 nan 0.000 0.439 35 N N 1.218 119.962 118.700 0.073 0.000 3.178 35 N HA -0.019 4.721 4.740 -0.001 0.000 0.300 35 N C 0.094 175.615 175.510 0.019 0.000 1.242 35 N CA -0.232 52.812 53.050 -0.011 0.000 1.192 35 N CB -0.337 38.246 38.487 0.161 0.000 1.463 35 N HN 0.221 nan 8.380 nan 0.000 0.539 36 F N 0.089 120.101 119.950 0.104 0.000 2.333 36 F HA -0.033 4.493 4.527 -0.002 0.000 0.300 36 F C 2.201 178.019 175.800 0.030 0.000 1.083 36 F CA 0.411 58.461 58.000 0.083 0.000 1.395 36 F CB -0.718 38.303 39.000 0.034 0.000 1.056 36 F HN 0.231 nan 8.300 nan 0.000 0.529 37 S N 0.452 115.906 115.700 -0.410 0.000 2.368 37 S HA -0.120 4.349 4.470 -0.001 0.000 0.224 37 S C 2.082 176.570 174.600 -0.187 0.000 1.029 37 S CA 0.968 59.036 58.200 -0.220 0.000 0.988 37 S CB -0.204 62.791 63.200 -0.341 0.000 0.838 37 S HN 0.338 nan 8.310 nan 0.000 0.462 38 K N 0.160 120.400 120.400 -0.266 0.000 2.166 38 K HA 0.193 4.512 4.320 -0.001 0.000 0.201 38 K C -0.264 175.927 176.600 -0.682 0.000 1.052 38 K CA 0.470 56.452 56.287 -0.509 0.000 0.969 38 K CB -0.260 31.820 32.500 -0.700 0.000 0.761 38 K HN 0.465 nan 8.250 nan 0.000 0.459 39 F N 1.348 121.266 119.950 -0.053 0.000 2.307 39 F HA 0.249 4.775 4.527 -0.001 0.000 0.369 39 F C 0.589 176.408 175.800 0.031 0.000 1.076 39 F CA -0.811 57.178 58.000 -0.019 0.000 1.149 39 F CB 1.219 40.207 39.000 -0.021 0.000 1.410 39 F HN -0.253 nan 8.300 nan 0.000 0.481 40 S N 1.029 116.799 115.700 0.117 0.000 2.585 40 S HA 0.225 4.694 4.470 -0.001 0.000 0.273 40 S C 1.012 175.674 174.600 0.104 0.000 1.339 40 S CA -0.363 57.895 58.200 0.096 0.000 1.028 40 S CB 0.975 64.182 63.200 0.011 0.000 0.906 40 S HN 0.541 nan 8.310 nan 0.000 0.528 41 S N 1.667 117.417 115.700 0.084 0.000 2.539 41 S HA 0.135 4.604 4.470 -0.001 0.000 0.221 41 S C 0.005 174.648 174.600 0.072 0.000 0.987 41 S CA -0.346 57.869 58.200 0.025 0.000 0.929 41 S CB -0.007 63.119 63.200 -0.124 0.000 0.832 41 S HN 0.815 nan 8.310 nan 0.000 0.492 42 D N 2.256 122.706 120.400 0.083 0.000 2.671 42 D HA 0.109 4.748 4.640 -0.001 0.000 0.228 42 D C 0.702 177.078 176.300 0.127 0.000 1.102 42 D CA 0.051 54.127 54.000 0.128 0.000 1.044 42 D CB -0.449 40.340 40.800 -0.018 0.000 1.113 42 D HN 0.314 nan 8.370 nan 0.000 0.480 43 L N 0.582 121.882 121.223 0.129 0.000 2.640 43 L HA 0.166 4.506 4.340 -0.001 0.000 0.230 43 L C 1.411 178.344 176.870 0.106 0.000 1.123 43 L CA 0.208 55.131 54.840 0.139 0.000 0.900 43 L CB 0.017 42.158 42.059 0.136 0.000 1.146 43 L HN 0.208 nan 8.230 nan 0.000 0.484 44 T N -4.119 110.491 114.554 0.093 0.000 3.252 44 T HA 0.369 4.718 4.350 -0.001 0.000 0.286 44 T C 1.274 176.017 174.700 0.072 0.000 1.013 44 T CA 0.275 62.388 62.100 0.021 0.000 0.914 44 T CB 0.787 69.591 68.868 -0.106 0.000 1.131 44 T HN 0.317 nan 8.240 nan 0.000 0.529 45 G N 1.005 109.904 108.800 0.165 0.000 2.155 45 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.257 45 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.257 45 G C 0.483 175.610 174.900 0.378 0.000 0.983 45 G CA 0.425 45.657 45.100 0.221 0.000 0.676 45 G HN 0.469 nan 8.290 nan 0.000 0.528 46 Y N 1.011 121.479 120.300 0.279 0.000 2.070 46 Y HA -0.169 4.381 4.550 -0.001 0.000 0.280 46 Y C 2.670 178.655 175.900 0.143 0.000 1.148 46 Y CA 2.223 60.519 58.100 0.326 0.000 1.125 46 Y CB -0.760 37.863 38.460 0.272 0.000 0.975 46 Y HN 0.575 nan 8.280 nan 0.000 0.492 47 H N -0.211 118.982 119.070 0.206 0.000 2.387 47 H HA -0.134 4.421 4.556 -0.001 0.000 0.299 47 H C 2.083 177.454 175.328 0.071 0.000 1.099 47 H CA 1.573 57.649 56.048 0.046 0.000 1.315 47 H CB 0.088 29.858 29.762 0.012 0.000 1.380 47 H HN 0.496 nan 8.280 nan 0.000 0.513 48 E N 0.757 121.091 120.200 0.223 0.000 2.150 48 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 48 E C 1.743 178.404 176.600 0.102 0.000 0.985 48 E CA 0.640 57.123 56.400 0.138 0.000 0.814 48 E CB 0.057 29.832 29.700 0.126 0.000 0.752 48 E HN 0.484 nan 8.360 nan 0.000 0.466 49 R N 0.010 120.583 120.500 0.121 0.000 2.362 49 R HA 0.101 4.441 4.340 -0.001 0.000 0.227 49 R C 2.002 178.294 176.300 -0.013 0.000 0.905 49 R CA -0.241 55.883 56.100 0.039 0.000 1.067 49 R CB 0.116 30.422 30.300 0.010 0.000 1.078 49 R HN 0.008 nan 8.270 nan 0.000 0.516 50 L N 2.147 123.389 121.223 0.032 0.000 1.990 50 L HA -0.248 4.091 4.340 -0.001 0.000 0.213 50 L C 2.379 179.230 176.870 -0.032 0.000 1.072 50 L CA 2.081 56.918 54.840 -0.005 0.000 0.755 50 L CB -0.363 41.647 42.059 -0.083 0.000 0.889 50 L HN 0.224 nan 8.230 nan 0.000 0.432 51 E N -0.995 119.192 120.200 -0.022 0.000 2.070 51 E HA -0.291 4.058 4.350 -0.001 0.000 0.197 51 E C 1.629 178.212 176.600 -0.028 0.000 1.004 51 E CA 1.857 58.245 56.400 -0.021 0.000 0.805 51 E CB -0.218 29.477 29.700 -0.009 0.000 0.744 51 E HN 0.532 nan 8.360 nan 0.000 0.451 52 D N -0.042 120.339 120.400 -0.031 0.000 2.269 52 D HA -0.042 4.597 4.640 -0.001 0.000 0.208 52 D C 1.938 178.199 176.300 -0.064 0.000 0.963 52 D CA 0.451 54.428 54.000 -0.038 0.000 0.864 52 D CB 0.075 40.858 40.800 -0.029 0.000 0.936 52 D HN 0.273 nan 8.370 nan 0.000 0.505 53 L N 0.221 121.386 121.223 -0.096 0.000 2.049 53 L HA -0.023 4.317 4.340 -0.001 0.000 0.203 53 L C 2.193 179.013 176.870 -0.083 0.000 1.074 53 L CA 0.692 55.450 54.840 -0.137 0.000 0.749 53 L CB -0.078 41.849 42.059 -0.221 0.000 0.907 53 L HN -0.138 nan 8.230 nan 0.000 0.439 54 R N 0.156 120.621 120.500 -0.058 0.000 2.328 54 R HA -0.052 4.288 4.340 -0.001 0.000 0.207 54 R C 1.101 177.382 176.300 -0.033 0.000 1.056 54 R CA 0.532 56.609 56.100 -0.039 0.000 1.016 54 R CB -0.634 29.648 30.300 -0.030 0.000 0.872 54 R HN 0.389 nan 8.270 nan 0.000 0.471 55 N N -0.535 118.144 118.700 -0.034 0.000 2.282 55 N HA 0.032 4.771 4.740 -0.001 0.000 0.185 55 N C 0.826 176.321 175.510 -0.025 0.000 1.099 55 N CA 0.899 53.934 53.050 -0.026 0.000 0.878 55 N CB 0.848 39.322 38.487 -0.022 0.000 0.993 55 N HN 0.343 nan 8.380 nan 0.000 0.481 56 G N 1.206 109.987 108.800 -0.033 0.000 2.136 56 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.242 56 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.242 56 G C 1.141 176.028 174.900 -0.021 0.000 0.989 56 G CA 0.544 45.628 45.100 -0.028 0.000 0.682 56 G HN 0.262 nan 8.290 nan 0.000 0.522 57 K N -0.511 119.874 120.400 -0.024 0.000 2.044 57 K HA 0.168 4.488 4.320 -0.001 0.000 0.204 57 K C 1.378 177.971 176.600 -0.012 0.000 1.049 57 K CA 0.528 56.806 56.287 -0.015 0.000 0.945 57 K CB 0.337 32.829 32.500 -0.014 0.000 0.724 57 K HN 0.507 nan 8.250 nan 0.000 0.440 58 I N 2.501 123.053 120.570 -0.030 0.000 2.416 58 I HA -0.004 4.165 4.170 -0.001 0.000 0.288 58 I C 0.954 177.058 176.117 -0.021 0.000 1.051 58 I CA -0.087 61.197 61.300 -0.027 0.000 1.375 58 I CB 0.980 38.934 38.000 -0.077 0.000 1.407 58 I HN 0.060 nan 8.210 nan 0.000 0.516 59 R N 5.240 125.756 120.500 0.026 0.000 2.257 59 R HA 0.292 4.631 4.340 -0.001 0.000 0.195 59 R C -0.261 176.096 176.300 0.094 0.000 0.921 59 R CA 0.034 56.162 56.100 0.045 0.000 1.069 59 R CB -0.055 30.281 30.300 0.061 0.000 1.115 59 R HN 0.440 nan 8.270 nan 0.000 0.571 60 F N 0.785 120.724 119.950 -0.020 0.000 2.563 60 F HA 0.695 5.221 4.527 -0.001 0.000 0.316 60 F C -1.448 174.349 175.800 -0.006 0.000 1.076 60 F CA -0.844 57.145 58.000 -0.017 0.000 0.921 60 F CB 2.090 41.078 39.000 -0.021 0.000 1.209 60 F HN -0.079 nan 8.300 nan 0.000 0.462 61 D N 2.849 122.437 120.400 -1.352 0.000 2.993 61 D HA 0.172 4.811 4.640 -0.001 0.000 0.284 61 D C -1.595 174.156 176.300 -0.915 0.000 1.172 61 D CA -0.417 53.066 54.000 -0.861 0.000 0.729 61 D CB 1.430 42.130 40.800 -0.167 0.000 1.270 61 D HN 0.385 nan 8.370 nan 0.000 0.436 62 I N 3.458 123.677 120.570 -0.584 0.000 2.421 62 I HA 0.168 4.337 4.170 -0.001 0.000 0.291 62 I C -0.935 174.939 176.117 -0.406 0.000 1.089 62 I CA -1.360 59.603 61.300 -0.561 0.000 1.354 62 I CB 0.639 38.319 38.000 -0.532 0.000 1.413 62 I HN 0.193 nan 8.210 nan 0.000 0.513 63 P HA -0.188 nan 4.420 nan 0.000 0.218 63 P C 1.201 178.395 177.300 -0.177 0.000 1.148 63 P CA 1.497 64.513 63.100 -0.141 0.000 0.822 63 P CB -0.294 31.358 31.700 -0.079 0.000 0.784 64 T N -2.769 111.682 114.554 -0.171 0.000 3.098 64 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 64 T C 1.718 176.235 174.700 -0.306 0.000 1.145 64 T CA 0.532 62.538 62.100 -0.157 0.000 1.092 64 T CB -0.686 68.170 68.868 -0.021 0.000 0.908 64 T HN 0.200 nan 8.240 nan 0.000 0.526 65 R N -0.135 120.023 120.500 -0.570 0.000 2.275 65 R HA 0.132 4.471 4.340 -0.001 0.000 0.199 65 R C -0.175 175.517 176.300 -1.014 0.000 0.989 65 R CA 0.506 56.120 56.100 -0.809 0.000 1.016 65 R CB 0.001 29.609 30.300 -1.153 0.000 0.918 65 R HN 0.549 nan 8.270 nan 0.000 0.473 66 Y N 0.734 120.767 120.300 -0.445 0.000 2.747 66 Y HA 0.229 4.778 4.550 -0.001 0.000 0.362 66 Y C 0.230 175.810 175.900 -0.533 0.000 1.026 66 Y CA -0.904 56.624 58.100 -0.954 0.000 1.135 66 Y CB 1.000 38.828 38.460 -1.054 0.000 1.175 66 Y HN -0.110 nan 8.280 nan 0.000 0.643 67 T N -2.653 111.840 114.554 -0.102 0.000 2.887 67 T HA 0.296 4.646 4.350 -0.001 0.000 0.292 67 T C 1.052 175.855 174.700 0.172 0.000 1.087 67 T CA -1.058 61.044 62.100 0.005 0.000 1.009 67 T CB 1.291 70.106 68.868 -0.089 0.000 1.203 67 T HN 0.564 nan 8.240 nan 0.000 0.518 68 M N 0.680 120.281 119.600 0.001 0.000 2.346 68 M HA 0.075 4.554 4.480 -0.001 0.000 0.263 68 M C 1.694 178.181 176.300 0.312 0.000 1.064 68 M CA 1.390 56.749 55.300 0.100 0.000 1.083 68 M CB -0.695 31.825 32.600 -0.134 0.000 1.399 68 M HN 0.529 nan 8.290 nan 0.000 0.435 69 L N 1.292 122.610 121.223 0.158 0.000 2.141 69 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 69 L C 1.627 178.513 176.870 0.026 0.000 1.094 69 L CA 1.823 56.715 54.840 0.086 0.000 0.763 69 L CB -0.309 41.722 42.059 -0.047 0.000 0.908 69 L HN 0.609 nan 8.230 nan 0.000 0.437 70 T N -3.655 110.975 114.554 0.126 0.000 3.260 70 T HA 0.210 4.559 4.350 -0.001 0.000 0.254 70 T C 0.218 175.111 174.700 0.322 0.000 0.951 70 T CA -0.130 62.064 62.100 0.158 0.000 0.918 70 T CB -0.134 68.806 68.868 0.119 0.000 1.098 70 T HN 0.283 nan 8.240 nan 0.000 0.563 71 S N -0.296 115.607 115.700 0.338 0.000 2.595 71 S HA 0.755 5.224 4.470 -0.001 0.000 0.281 71 S C -1.775 173.060 174.600 0.391 0.000 1.117 71 S CA -0.905 57.518 58.200 0.372 0.000 0.873 71 S CB 2.229 65.496 63.200 0.113 0.000 1.108 71 S HN 0.168 nan 8.310 nan 0.000 0.477 72 D N 1.428 122.094 120.400 0.444 0.000 2.374 72 D HA 0.630 5.269 4.640 -0.001 0.000 0.239 72 D C -2.678 173.716 176.300 0.157 0.000 0.991 72 D CA -1.470 52.626 54.000 0.161 0.000 0.960 72 D CB 1.415 42.212 40.800 -0.004 0.000 1.284 72 D HN 0.326 nan 8.370 nan 0.000 0.512 73 P HA 0.136 nan 4.420 nan 0.000 0.272 73 P C -1.744 175.595 177.300 0.066 0.000 1.230 73 P CA -0.892 62.193 63.100 -0.025 0.000 0.788 73 P CB 0.175 31.750 31.700 -0.208 0.000 0.949 74 P HA -0.009 nan 4.420 nan 0.000 0.227 74 P C 1.770 179.053 177.300 -0.027 0.000 1.161 74 P CA 0.632 63.732 63.100 -0.001 0.000 0.788 74 P CB 0.123 31.822 31.700 -0.001 0.000 0.822 75 L N 0.168 121.367 121.223 -0.038 0.000 1.997 75 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 75 L C 2.811 179.612 176.870 -0.115 0.000 1.074 75 L CA 2.145 56.892 54.840 -0.155 0.000 0.763 75 L CB -1.016 40.792 42.059 -0.418 0.000 0.890 75 L HN 0.142 nan 8.230 nan 0.000 0.434 76 H N -0.012 118.985 119.070 -0.120 0.000 2.352 76 H HA -0.210 4.346 4.556 -0.001 0.000 0.299 76 H C 1.646 176.896 175.328 -0.131 0.000 1.097 76 H CA 2.174 58.151 56.048 -0.118 0.000 1.311 76 H CB 0.018 29.686 29.762 -0.157 0.000 1.377 76 H HN 0.474 nan 8.280 nan 0.000 0.504 77 D N 0.493 120.781 120.400 -0.186 0.000 2.149 77 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 77 D C 2.162 178.361 176.300 -0.169 0.000 0.972 77 D CA 0.721 54.597 54.000 -0.207 0.000 0.835 77 D CB -0.262 40.486 40.800 -0.087 0.000 0.966 77 D HN 0.594 nan 8.370 nan 0.000 0.476 78 E N 0.392 120.520 120.200 -0.119 0.000 2.077 78 E HA -0.095 4.255 4.350 -0.001 0.000 0.193 78 E C 2.313 178.879 176.600 -0.058 0.000 0.989 78 E CA 0.498 56.853 56.400 -0.076 0.000 0.800 78 E CB -0.010 29.653 29.700 -0.061 0.000 0.746 78 E HN 0.239 nan 8.360 nan 0.000 0.452 79 L N 0.204 121.377 121.223 -0.084 0.000 2.005 79 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 79 L C 2.722 179.594 176.870 0.004 0.000 1.072 79 L CA 1.164 56.011 54.840 0.012 0.000 0.744 79 L CB -0.321 41.695 42.059 -0.072 0.000 0.895 79 L HN 0.026 nan 8.230 nan 0.000 0.433 80 R N 0.387 120.750 120.500 -0.228 0.000 2.120 80 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 80 R C 2.525 178.779 176.300 -0.076 0.000 1.123 80 R CA 1.548 57.528 56.100 -0.199 0.000 0.975 80 R CB -0.178 29.873 30.300 -0.416 0.000 0.866 80 R HN 0.461 nan 8.270 nan 0.000 0.446 81 S N -0.090 115.561 115.700 -0.081 0.000 2.442 81 S HA -0.173 4.296 4.470 -0.001 0.000 0.236 81 S C 1.880 176.463 174.600 -0.029 0.000 1.007 81 S CA 1.243 59.412 58.200 -0.051 0.000 0.965 81 S CB -0.212 62.956 63.200 -0.053 0.000 0.773 81 S HN 0.375 nan 8.310 nan 0.000 0.504 82 M N 1.885 121.486 119.600 0.002 0.000 2.549 82 M HA 0.020 4.500 4.480 -0.001 0.000 0.260 82 M C 1.314 177.586 176.300 -0.048 0.000 1.076 82 M CA 1.238 56.522 55.300 -0.028 0.000 1.090 82 M CB -0.164 32.404 32.600 -0.052 0.000 1.418 82 M HN 0.651 nan 8.290 nan 0.000 0.486 83 S N -2.259 113.437 115.700 -0.007 0.000 3.082 83 S HA 0.420 4.889 4.470 -0.001 0.000 0.253 83 S C 1.207 175.747 174.600 -0.099 0.000 0.961 83 S CA -0.076 58.087 58.200 -0.062 0.000 1.129 83 S CB 0.032 63.227 63.200 -0.008 0.000 1.083 83 S HN 0.248 nan 8.310 nan 0.000 0.605 84 A N 2.188 124.968 122.820 -0.066 0.000 1.986 84 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 84 A C 1.415 178.958 177.584 -0.069 0.000 1.171 84 A CA 1.769 53.772 52.037 -0.058 0.000 0.640 84 A CB -0.409 18.567 19.000 -0.041 0.000 0.811 84 A HN 0.540 nan 8.150 nan 0.000 0.451 85 D N -0.565 119.784 120.400 -0.085 0.000 2.424 85 D HA 0.139 4.778 4.640 -0.001 0.000 0.220 85 D C 1.551 177.776 176.300 -0.125 0.000 1.150 85 D CA 0.234 54.190 54.000 -0.073 0.000 0.831 85 D CB -0.165 40.607 40.800 -0.046 0.000 0.981 85 D HN 0.736 nan 8.370 nan 0.000 0.500 86 I N -2.874 117.534 120.570 -0.270 0.000 2.361 86 I HA -0.097 4.072 4.170 -0.001 0.000 0.251 86 I C 0.828 176.715 176.117 -0.382 0.000 1.133 86 I CA 1.295 62.333 61.300 -0.437 0.000 1.413 86 I CB -0.465 37.062 38.000 -0.789 0.000 1.073 86 I HN -0.199 nan 8.210 nan 0.000 0.424 87 F N 2.560 122.518 119.950 0.014 0.000 2.928 87 F HA 0.330 4.856 4.527 -0.001 0.000 0.337 87 F C 1.233 177.038 175.800 0.009 0.000 1.259 87 F CA -1.034 56.973 58.000 0.013 0.000 1.267 87 F CB 0.155 39.161 39.000 0.009 0.000 0.986 87 F HN 0.020 nan 8.300 nan 0.000 0.507 88 S N 0.008 115.779 115.700 0.117 0.000 2.576 88 S HA 0.130 4.599 4.470 -0.001 0.000 0.272 88 S C -1.615 173.034 174.600 0.083 0.000 1.352 88 S CA -0.953 57.293 58.200 0.075 0.000 1.021 88 S CB 1.242 64.463 63.200 0.034 0.000 0.887 88 S HN -0.000 nan 8.310 nan 0.000 0.542 89 P HA -0.210 nan 4.420 nan 0.000 0.216 89 P C 1.739 179.071 177.300 0.054 0.000 1.157 89 P CA 1.652 64.786 63.100 0.056 0.000 0.880 89 P CB -0.103 31.623 31.700 0.043 0.000 0.791 90 Q N -0.162 119.665 119.800 0.045 0.000 2.084 90 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 90 Q C 1.837 177.867 176.000 0.050 0.000 0.978 90 Q CA 1.194 57.021 55.803 0.041 0.000 0.844 90 Q CB -0.957 27.799 28.738 0.030 0.000 0.898 90 Q HN 0.306 nan 8.270 nan 0.000 0.426 91 K N 1.114 121.549 120.400 0.058 0.000 2.032 91 K HA -0.060 4.260 4.320 -0.001 0.000 0.209 91 K C 2.327 178.982 176.600 0.091 0.000 1.048 91 K CA 0.989 57.319 56.287 0.072 0.000 0.927 91 K CB -0.315 32.236 32.500 0.085 0.000 0.712 91 K HN 0.276 nan 8.250 nan 0.000 0.441 92 L N 0.924 122.209 121.223 0.102 0.000 2.093 92 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 92 L C 2.856 179.773 176.870 0.078 0.000 1.085 92 L CA 1.009 55.907 54.840 0.097 0.000 0.755 92 L CB -0.460 41.651 42.059 0.088 0.000 0.904 92 L HN 0.289 nan 8.230 nan 0.000 0.435 93 Q N -0.015 119.825 119.800 0.066 0.000 2.045 93 Q HA -0.227 4.112 4.340 -0.001 0.000 0.206 93 Q C 2.090 178.128 176.000 0.062 0.000 0.991 93 Q CA 2.517 58.354 55.803 0.057 0.000 0.851 93 Q CB -0.038 28.729 28.738 0.048 0.000 0.911 93 Q HN 0.390 nan 8.270 nan 0.000 0.418 94 T N 0.937 115.528 114.554 0.062 0.000 2.881 94 T HA -0.104 4.245 4.350 -0.001 0.000 0.270 94 T C 1.530 176.282 174.700 0.087 0.000 1.068 94 T CA 0.766 62.904 62.100 0.064 0.000 1.131 94 T CB -0.046 68.853 68.868 0.051 0.000 0.871 94 T HN 0.250 nan 8.240 nan 0.000 0.479 95 L N 0.275 121.560 121.223 0.103 0.000 2.492 95 L HA 0.085 4.425 4.340 -0.001 0.000 0.223 95 L C 2.508 179.482 176.870 0.173 0.000 1.132 95 L CA 0.660 55.592 54.840 0.152 0.000 0.850 95 L CB -0.233 41.916 42.059 0.149 0.000 0.966 95 L HN 0.321 nan 8.230 nan 0.000 0.454 96 E N -0.231 120.037 120.200 0.114 0.000 2.070 96 E HA -0.263 4.086 4.350 -0.001 0.000 0.197 96 E C 2.015 178.664 176.600 0.082 0.000 1.004 96 E CA 2.215 58.667 56.400 0.086 0.000 0.805 96 E CB 0.015 29.751 29.700 0.060 0.000 0.744 96 E HN 0.587 nan 8.360 nan 0.000 0.451 97 T N -0.512 114.098 114.554 0.095 0.000 2.746 97 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 97 T C 1.774 176.533 174.700 0.099 0.000 1.039 97 T CA 1.148 63.297 62.100 0.081 0.000 1.142 97 T CB -0.628 68.291 68.868 0.086 0.000 0.866 97 T HN 0.183 nan 8.240 nan 0.000 0.444 98 F N 2.233 122.200 119.950 0.030 0.000 2.134 98 F HA 0.096 4.622 4.527 -0.001 0.000 0.299 98 F C 1.987 177.806 175.800 0.032 0.000 1.097 98 F CA 0.734 58.753 58.000 0.033 0.000 1.264 98 F CB -0.433 38.591 39.000 0.039 0.000 1.001 98 F HN 0.094 nan 8.300 nan 0.000 0.479 99 I N 0.081 120.646 120.570 -0.008 0.000 2.226 99 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 99 I C 2.676 178.706 176.117 -0.145 0.000 1.100 99 I CA 1.539 62.774 61.300 -0.108 0.000 1.374 99 I CB -0.585 37.443 38.000 0.047 0.000 1.057 99 I HN 0.100 nan 8.210 nan 0.000 0.413 100 R N 1.178 121.633 120.500 -0.075 0.000 2.075 100 R HA -0.165 4.174 4.340 -0.001 0.000 0.232 100 R C 2.142 178.388 176.300 -0.089 0.000 1.126 100 R CA 1.504 57.569 56.100 -0.059 0.000 0.963 100 R CB -0.042 30.244 30.300 -0.024 0.000 0.858 100 R HN 0.397 nan 8.270 nan 0.000 0.435 101 E N -0.830 119.298 120.200 -0.120 0.000 2.106 101 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 101 E C 1.817 178.310 176.600 -0.179 0.000 0.984 101 E CA 1.648 57.976 56.400 -0.120 0.000 0.806 101 E CB 0.023 29.666 29.700 -0.094 0.000 0.750 101 E HN 0.362 nan 8.360 nan 0.000 0.458 102 T N 0.432 114.788 114.554 -0.330 0.000 2.737 102 T HA -0.175 4.174 4.350 -0.001 0.000 0.265 102 T C 2.228 176.830 174.700 -0.162 0.000 1.038 102 T CA 1.867 63.768 62.100 -0.331 0.000 1.144 102 T CB -0.460 68.071 68.868 -0.562 0.000 0.866 102 T HN 0.366 nan 8.240 nan 0.000 0.434 103 T N 0.827 115.307 114.554 -0.123 0.000 2.867 103 T HA -0.045 4.305 4.350 -0.001 0.000 0.268 103 T C 2.051 176.741 174.700 -0.018 0.000 1.057 103 T CA 0.885 62.956 62.100 -0.048 0.000 1.136 103 T CB -0.180 68.678 68.868 -0.017 0.000 0.874 103 T HN 0.205 nan 8.240 nan 0.000 0.466 104 R N 0.480 120.962 120.500 -0.030 0.000 2.096 104 R HA 0.082 4.421 4.340 -0.001 0.000 0.235 104 R C 2.988 179.282 176.300 -0.010 0.000 1.127 104 R CA 1.355 57.449 56.100 -0.009 0.000 0.968 104 R CB -0.583 29.706 30.300 -0.019 0.000 0.861 104 R HN 0.378 nan 8.270 nan 0.000 0.440 105 S N 0.220 115.901 115.700 -0.032 0.000 2.356 105 S HA -0.035 4.434 4.470 -0.001 0.000 0.223 105 S C 1.745 176.338 174.600 -0.011 0.000 1.032 105 S CA 1.002 59.187 58.200 -0.025 0.000 1.005 105 S CB -0.106 63.068 63.200 -0.044 0.000 0.867 105 S HN 0.203 nan 8.310 nan 0.000 0.449 106 L N 1.012 122.227 121.223 -0.014 0.000 2.046 106 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 106 L C 2.319 179.203 176.870 0.025 0.000 1.077 106 L CA 0.976 55.816 54.840 -0.000 0.000 0.747 106 L CB -0.542 41.513 42.059 -0.007 0.000 0.896 106 L HN 0.327 nan 8.230 nan 0.000 0.432 107 L N -0.451 120.799 121.223 0.044 0.000 2.083 107 L HA -0.228 4.112 4.340 -0.001 0.000 0.209 107 L C 2.114 179.017 176.870 0.056 0.000 1.083 107 L CA 1.041 55.931 54.840 0.084 0.000 0.752 107 L CB -0.628 41.497 42.059 0.110 0.000 0.899 107 L HN 0.277 nan 8.230 nan 0.000 0.433 108 D N -0.343 120.076 120.400 0.031 0.000 2.221 108 D HA -0.159 4.480 4.640 -0.001 0.000 0.204 108 D C 2.267 178.578 176.300 0.017 0.000 0.982 108 D CA 1.544 55.555 54.000 0.019 0.000 0.857 108 D CB 0.034 40.840 40.800 0.009 0.000 0.934 108 D HN 0.334 nan 8.370 nan 0.000 0.475 109 S N -0.609 115.102 115.700 0.018 0.000 2.562 109 S HA 0.045 4.514 4.470 -0.001 0.000 0.221 109 S C 0.931 175.542 174.600 0.018 0.000 0.975 109 S CA -0.313 57.895 58.200 0.013 0.000 0.918 109 S CB -0.145 63.059 63.200 0.007 0.000 0.772 109 S HN 0.110 nan 8.310 nan 0.000 0.531 110 I N 2.849 123.439 120.570 0.033 0.000 2.496 110 I HA 0.190 4.359 4.170 -0.001 0.000 0.285 110 I C -0.160 175.973 176.117 0.026 0.000 1.080 110 I CA -0.333 60.991 61.300 0.039 0.000 1.404 110 I CB 0.647 38.696 38.000 0.081 0.000 1.403 110 I HN 0.126 nan 8.210 nan 0.000 0.539 111 D N 9.667 130.077 120.400 0.016 0.000 2.396 111 D HA 0.200 4.840 4.640 -0.001 0.000 0.225 111 D C -1.439 174.863 176.300 0.002 0.000 1.121 111 D CA -2.427 51.577 54.000 0.006 0.000 0.853 111 D CB 1.306 42.107 40.800 0.001 0.000 1.043 111 D HN 0.184 nan 8.370 nan 0.000 0.500 112 P HA -0.230 nan 4.420 nan 0.000 0.217 112 P C 1.465 178.753 177.300 -0.019 0.000 1.151 112 P CA 0.802 63.894 63.100 -0.013 0.000 0.849 112 P CB 0.327 32.020 31.700 -0.013 0.000 0.787 113 R N 0.499 120.991 120.500 -0.014 0.000 2.105 113 R HA -0.104 4.236 4.340 -0.001 0.000 0.239 113 R C 0.597 176.887 176.300 -0.017 0.000 1.135 113 R CA 1.248 57.339 56.100 -0.015 0.000 0.967 113 R CB 0.024 30.317 30.300 -0.012 0.000 0.861 113 R HN 0.260 nan 8.270 nan 0.000 0.442 114 E N 0.081 120.272 120.200 -0.016 0.000 3.397 114 E HA 0.080 4.429 4.350 -0.001 0.000 0.380 114 E C -2.113 174.479 176.600 -0.013 0.000 0.989 114 E CA -0.293 56.096 56.400 -0.018 0.000 0.783 114 E CB 0.640 30.330 29.700 -0.016 0.000 1.334 114 E HN -0.008 nan 8.360 nan 0.000 0.457 115 D N 1.751 122.143 120.400 -0.013 0.000 2.596 115 D HA 0.257 4.896 4.640 -0.001 0.000 0.262 115 D C -1.679 174.612 176.300 -0.015 0.000 1.210 115 D CA -0.395 53.600 54.000 -0.008 0.000 0.873 115 D CB 2.066 42.868 40.800 0.004 0.000 1.408 115 D HN 0.370 nan 8.370 nan 0.000 0.441 116 D N 1.054 121.445 120.400 -0.015 0.000 2.412 116 D HA 0.194 4.833 4.640 -0.001 0.000 0.224 116 D C 1.408 177.690 176.300 -0.030 0.000 1.093 116 D CA -0.473 53.513 54.000 -0.023 0.000 0.850 116 D CB 0.409 41.199 40.800 -0.016 0.000 1.046 116 D HN 0.452 nan 8.370 nan 0.000 0.507 117 I N 1.052 121.591 120.570 -0.052 0.000 2.830 117 I HA -0.084 4.085 4.170 -0.001 0.000 0.263 117 I C 1.385 177.452 176.117 -0.083 0.000 1.230 117 I CA 0.056 61.307 61.300 -0.082 0.000 1.480 117 I CB -0.066 37.831 38.000 -0.172 0.000 1.095 117 I HN 0.122 nan 8.210 nan 0.000 0.455 118 V N 1.925 121.805 119.914 -0.058 0.000 2.307 118 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 118 V C 2.762 178.842 176.094 -0.023 0.000 1.045 118 V CA 2.306 64.586 62.300 -0.032 0.000 1.024 118 V CB -0.766 31.058 31.823 0.002 0.000 0.651 118 V HN 0.509 nan 8.190 nan 0.000 0.449 119 K N -0.072 120.317 120.400 -0.019 0.000 2.057 119 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 119 K C 2.178 178.767 176.600 -0.018 0.000 1.050 119 K CA 1.254 57.531 56.287 -0.016 0.000 0.935 119 K CB -0.025 32.467 32.500 -0.014 0.000 0.715 119 K HN 0.247 nan 8.250 nan 0.000 0.439 120 K N 0.309 120.698 120.400 -0.019 0.000 2.262 120 K HA 0.038 4.358 4.320 -0.001 0.000 0.200 120 K C 1.886 178.476 176.600 -0.017 0.000 1.049 120 K CA 0.460 56.739 56.287 -0.013 0.000 0.979 120 K CB 0.331 32.830 32.500 -0.003 0.000 0.773 120 K HN 0.276 nan 8.250 nan 0.000 0.474 121 L N -0.940 120.262 121.223 -0.034 0.000 2.666 121 L HA 0.170 4.509 4.340 -0.001 0.000 0.184 121 L C 2.036 178.881 176.870 -0.041 0.000 1.092 121 L CA 0.636 55.450 54.840 -0.043 0.000 0.857 121 L CB -0.314 41.695 42.059 -0.083 0.000 1.281 121 L HN -0.051 nan 8.230 nan 0.000 0.489 122 A N -0.061 122.726 122.820 -0.055 0.000 1.902 122 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 122 A C 2.083 179.663 177.584 -0.008 0.000 1.181 122 A CA 2.068 54.084 52.037 -0.035 0.000 0.623 122 A CB -0.755 18.221 19.000 -0.040 0.000 0.818 122 A HN 0.305 nan 8.150 nan 0.000 0.443 123 V N 0.410 120.321 119.914 -0.005 0.000 2.283 123 V HA -0.111 4.008 4.120 -0.001 0.000 0.243 123 V C -0.201 175.901 176.094 0.014 0.000 1.039 123 V CA 2.291 64.595 62.300 0.006 0.000 1.016 123 V CB -1.331 30.491 31.823 -0.000 0.000 0.650 123 V HN 0.391 nan 8.190 nan 0.000 0.449 124 P HA -0.142 nan 4.420 nan 0.000 0.216 124 P C 2.065 179.384 177.300 0.033 0.000 1.153 124 P CA 1.342 64.452 63.100 0.018 0.000 0.848 124 P CB -0.040 31.662 31.700 0.003 0.000 0.787 125 L N -0.393 120.840 121.223 0.018 0.000 1.978 125 L HA -0.158 4.181 4.340 -0.001 0.000 0.218 125 L C -0.558 176.344 176.870 0.053 0.000 1.075 125 L CA 2.956 57.809 54.840 0.021 0.000 0.767 125 L CB -1.950 40.112 42.059 0.005 0.000 0.890 125 L HN 0.055 nan 8.230 nan 0.000 0.434 126 P HA -0.165 nan 4.420 nan 0.000 0.216 126 P C 1.834 179.183 177.300 0.081 0.000 1.150 126 P CA 1.522 64.657 63.100 0.058 0.000 0.837 126 P CB 0.008 31.736 31.700 0.047 0.000 0.786 127 I N -1.367 119.256 120.570 0.089 0.000 2.252 127 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 127 I C 2.277 178.503 176.117 0.181 0.000 1.102 127 I CA 1.393 62.771 61.300 0.129 0.000 1.385 127 I CB -0.537 37.551 38.000 0.147 0.000 1.064 127 I HN -0.137 nan 8.210 nan 0.000 0.414 128 I N -0.016 120.657 120.570 0.172 0.000 2.226 128 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 128 I C 2.460 178.767 176.117 0.317 0.000 1.100 128 I CA 1.145 62.585 61.300 0.233 0.000 1.374 128 I CB -0.240 37.871 38.000 0.185 0.000 1.057 128 I HN -0.007 nan 8.210 nan 0.000 0.413 129 V N 0.420 120.505 119.914 0.285 0.000 2.270 129 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 129 V C 2.350 178.556 176.094 0.186 0.000 1.043 129 V CA 1.744 64.239 62.300 0.324 0.000 1.014 129 V CB -0.455 31.502 31.823 0.223 0.000 0.645 129 V HN 0.318 nan 8.190 nan 0.000 0.447 130 I N 0.193 120.844 120.570 0.134 0.000 2.286 130 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 130 I C 2.502 178.674 176.117 0.091 0.000 1.115 130 I CA 1.509 62.873 61.300 0.107 0.000 1.392 130 I CB -0.374 37.664 38.000 0.063 0.000 1.065 130 I HN 0.212 nan 8.210 nan 0.000 0.418 131 S N 0.273 116.045 115.700 0.121 0.000 2.368 131 S HA -0.263 4.206 4.470 -0.001 0.000 0.225 131 S C 1.980 176.643 174.600 0.104 0.000 1.030 131 S CA 1.752 60.048 58.200 0.161 0.000 0.999 131 S CB -0.360 63.024 63.200 0.307 0.000 0.844 131 S HN 0.520 nan 8.310 nan 0.000 0.459 132 K N 1.245 121.673 120.400 0.046 0.000 2.026 132 K HA -0.009 4.311 4.320 -0.001 0.000 0.208 132 K C 1.956 178.516 176.600 -0.067 0.000 1.048 132 K CA 1.323 57.543 56.287 -0.112 0.000 0.929 132 K CB -0.351 31.863 32.500 -0.477 0.000 0.713 132 K HN 0.266 nan 8.250 nan 0.000 0.439 133 I N 0.668 121.239 120.570 0.001 0.000 2.226 133 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 133 I C 1.777 177.921 176.117 0.045 0.000 1.100 133 I CA 0.724 62.055 61.300 0.052 0.000 1.374 133 I CB -0.070 38.035 38.000 0.175 0.000 1.057 133 I HN 0.207 nan 8.210 nan 0.000 0.413 134 L N 0.143 121.401 121.223 0.058 0.000 2.418 134 L HA 0.163 4.502 4.340 -0.001 0.000 0.218 134 L C 1.546 178.446 176.870 0.051 0.000 1.125 134 L CA 1.132 56.001 54.840 0.048 0.000 0.835 134 L CB -1.141 40.950 42.059 0.052 0.000 0.953 134 L HN 0.425 nan 8.230 nan 0.000 0.454 135 G N 0.058 108.892 108.800 0.057 0.000 2.212 135 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.255 135 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.255 135 G C 0.039 175.016 174.900 0.128 0.000 1.062 135 G CA 0.070 45.211 45.100 0.068 0.000 0.815 135 G HN 0.235 nan 8.290 nan 0.000 0.497 136 L N 0.109 121.439 121.223 0.178 0.000 2.322 136 L HA 0.415 4.754 4.340 -0.001 0.000 0.281 136 L C -1.941 175.134 176.870 0.342 0.000 1.014 136 L CA -2.415 52.603 54.840 0.297 0.000 0.815 136 L CB 1.911 44.196 42.059 0.377 0.000 1.247 136 L HN -0.148 nan 8.230 nan 0.000 0.421 137 P HA -0.025 nan 4.420 nan 0.000 0.255 137 P C 1.044 178.437 177.300 0.154 0.000 1.173 137 P CA 0.376 63.612 63.100 0.227 0.000 0.780 137 P CB 0.206 32.049 31.700 0.238 0.000 0.758 138 I N 3.037 123.687 120.570 0.133 0.000 2.530 138 I HA -0.227 3.943 4.170 -0.001 0.000 0.257 138 I C 1.510 177.585 176.117 -0.070 0.000 1.179 138 I CA 1.272 62.622 61.300 0.084 0.000 1.440 138 I CB -0.642 37.430 38.000 0.120 0.000 1.087 138 I HN 0.447 nan 8.210 nan 0.000 0.440 139 E N 1.054 121.224 120.200 -0.049 0.000 2.527 139 E HA -0.149 4.200 4.350 -0.001 0.000 0.204 139 E C -0.242 176.236 176.600 -0.202 0.000 1.132 139 E CA 0.637 56.988 56.400 -0.083 0.000 0.905 139 E CB -0.332 29.361 29.700 -0.012 0.000 0.875 139 E HN 0.542 nan 8.360 nan 0.000 0.548 140 D N 0.025 120.164 120.400 -0.437 0.000 2.819 140 D HA 0.111 4.750 4.640 -0.001 0.000 0.326 140 D C 0.752 176.322 176.300 -1.216 0.000 1.408 140 D CA -0.214 53.327 54.000 -0.765 0.000 0.811 140 D CB 0.486 40.788 40.800 -0.830 0.000 1.148 140 D HN -0.083 nan 8.370 nan 0.000 0.457 141 K N 0.483 120.480 120.400 -0.672 0.000 2.002 141 K HA -0.124 4.195 4.320 -0.001 0.000 0.209 141 K C 1.524 177.912 176.600 -0.354 0.000 1.048 141 K CA 0.971 57.017 56.287 -0.402 0.000 0.930 141 K CB 0.306 32.710 32.500 -0.162 0.000 0.714 141 K HN 0.092 nan 8.250 nan 0.000 0.438 142 E N 0.750 120.748 120.200 -0.337 0.000 2.118 142 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 142 E C 1.954 178.293 176.600 -0.436 0.000 0.992 142 E CA 1.249 57.474 56.400 -0.292 0.000 0.804 142 E CB 0.007 29.571 29.700 -0.227 0.000 0.741 142 E HN 0.079 nan 8.360 nan 0.000 0.458 143 K N 0.285 120.285 120.400 -0.667 0.000 2.025 143 K HA -0.013 4.307 4.320 -0.001 0.000 0.207 143 K C 1.969 177.775 176.600 -1.323 0.000 1.049 143 K CA 0.873 56.489 56.287 -1.118 0.000 0.933 143 K CB -0.699 31.010 32.500 -1.318 0.000 0.714 143 K HN 0.179 nan 8.250 nan 0.000 0.438 144 F N 0.770 120.158 119.950 -0.937 0.000 2.126 144 F HA -0.281 4.246 4.527 -0.001 0.000 0.299 144 F C 2.073 177.671 175.800 -0.337 0.000 1.096 144 F CA 0.630 58.314 58.000 -0.526 0.000 1.255 144 F CB -0.088 38.750 39.000 -0.269 0.000 0.997 144 F HN 0.015 nan 8.300 nan 0.000 0.479 145 K N 0.726 121.048 120.400 -0.130 0.000 2.032 145 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 145 K C 1.689 178.224 176.600 -0.108 0.000 1.048 145 K CA 1.652 57.885 56.287 -0.090 0.000 0.927 145 K CB -0.229 32.208 32.500 -0.105 0.000 0.712 145 K HN 0.271 nan 8.250 nan 0.000 0.441 146 E N -0.913 119.148 120.200 -0.232 0.000 2.051 146 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 146 E C 1.785 178.390 176.600 0.008 0.000 0.991 146 E CA 1.189 57.494 56.400 -0.158 0.000 0.799 146 E CB -0.177 29.371 29.700 -0.253 0.000 0.748 146 E HN 0.409 nan 8.360 nan 0.000 0.449 147 W N 0.898 122.172 121.300 -0.042 0.000 2.465 147 W HA 0.012 4.672 4.660 -0.001 0.000 0.268 147 W C 2.266 178.732 176.519 -0.088 0.000 1.242 147 W CA 0.279 57.570 57.345 -0.090 0.000 1.248 147 W CB -1.067 28.346 29.460 -0.079 0.000 1.118 147 W HN -0.003 nan 8.180 nan 0.000 0.587 148 S N 0.115 115.893 115.700 0.130 0.000 2.440 148 S HA -0.226 4.243 4.470 -0.001 0.000 0.238 148 S C 1.353 175.982 174.600 0.048 0.000 1.010 148 S CA 1.839 60.082 58.200 0.071 0.000 0.972 148 S CB -0.397 62.833 63.200 0.050 0.000 0.774 148 S HN 0.321 nan 8.310 nan 0.000 0.501 149 D N 1.271 121.696 120.400 0.042 0.000 2.310 149 D HA -0.043 4.596 4.640 -0.001 0.000 0.212 149 D C 1.403 177.704 176.300 0.003 0.000 0.965 149 D CA 0.642 54.656 54.000 0.025 0.000 0.879 149 D CB -0.171 40.642 40.800 0.021 0.000 0.921 149 D HN 0.355 nan 8.370 nan 0.000 0.510 150 L N 0.112 121.320 121.223 -0.026 0.000 2.610 150 L HA 0.114 4.453 4.340 -0.001 0.000 0.232 150 L C 0.932 177.766 176.870 -0.059 0.000 1.149 150 L CA -0.373 54.416 54.840 -0.085 0.000 0.872 150 L CB -0.202 41.718 42.059 -0.232 0.000 0.992 150 L HN 0.006 nan 8.230 nan 0.000 0.447 151 V N 1.315 121.210 119.914 -0.031 0.000 2.681 151 V HA -0.167 3.952 4.120 -0.001 0.000 0.306 151 V C 1.658 177.685 176.094 -0.111 0.000 1.077 151 V CA 0.680 62.943 62.300 -0.061 0.000 1.224 151 V CB 1.212 33.047 31.823 0.020 0.000 0.879 151 V HN 0.405 nan 8.190 nan 0.000 0.494 152 A N 6.098 128.773 122.820 -0.241 0.000 2.032 152 A HA -0.152 4.167 4.320 -0.001 0.000 0.221 152 A C 1.657 179.111 177.584 -0.217 0.000 1.165 152 A CA 2.121 54.004 52.037 -0.256 0.000 0.645 152 A CB -0.749 18.055 19.000 -0.328 0.000 0.807 152 A HN 0.952 nan 8.150 nan 0.000 0.453 153 F N -0.346 119.585 119.950 -0.031 0.000 2.269 153 F HA -0.066 4.460 4.527 -0.001 0.000 0.301 153 F C 1.495 177.267 175.800 -0.047 0.000 1.082 153 F CA 0.794 58.767 58.000 -0.045 0.000 1.360 153 F CB -0.061 38.918 39.000 -0.034 0.000 1.041 153 F HN 0.115 nan 8.300 nan 0.000 0.512 154 R N 1.698 122.270 120.500 0.119 0.000 2.316 154 R HA 0.224 4.563 4.340 -0.001 0.000 0.314 154 R C -0.673 175.641 176.300 0.023 0.000 1.069 154 R CA -0.503 55.634 56.100 0.062 0.000 0.959 154 R CB 0.322 30.651 30.300 0.049 0.000 0.987 154 R HN -0.021 nan 8.270 nan 0.000 0.446 155 L N 3.207 124.438 121.223 0.013 0.000 2.456 155 L HA 0.396 4.735 4.340 -0.001 0.000 0.257 155 L C 0.962 177.835 176.870 0.005 0.000 1.162 155 L CA 0.357 55.195 54.840 -0.005 0.000 0.808 155 L CB 1.188 43.236 42.059 -0.019 0.000 1.136 155 L HN 0.832 nan 8.230 nan 0.000 0.466 156 G N 0.971 109.774 108.800 0.005 0.000 2.544 156 G HA2 0.405 4.364 3.960 -0.001 0.000 0.242 156 G HA3 0.405 4.364 3.960 -0.001 0.000 0.242 156 G C -0.705 174.205 174.900 0.016 0.000 1.247 156 G CA -0.318 44.791 45.100 0.016 0.000 0.840 156 G HN 0.731 nan 8.290 nan 0.000 0.578 157 K N 1.625 122.039 120.400 0.023 0.000 2.469 157 K HA 0.548 4.867 4.320 -0.001 0.000 0.254 157 K C -2.811 173.806 176.600 0.028 0.000 0.939 157 K CA -1.554 54.746 56.287 0.022 0.000 0.812 157 K CB 2.226 34.738 32.500 0.021 0.000 1.301 157 K HN 0.266 nan 8.250 nan 0.000 0.433 158 P HA 0.135 nan 4.420 nan 0.000 0.268 158 P C 0.254 177.576 177.300 0.037 0.000 1.208 158 P CA 0.728 63.846 63.100 0.030 0.000 0.777 158 P CB 0.565 32.279 31.700 0.023 0.000 0.875 159 G N 1.022 109.849 108.800 0.045 0.000 2.153 159 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.252 159 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.252 159 G C 0.652 175.597 174.900 0.076 0.000 0.994 159 G CA 0.242 45.374 45.100 0.055 0.000 0.698 159 G HN 0.629 nan 8.290 nan 0.000 0.521 160 E N -0.750 119.496 120.200 0.077 0.000 2.498 160 E HA 0.194 4.543 4.350 -0.001 0.000 0.203 160 E C 2.325 178.989 176.600 0.108 0.000 1.013 160 E CA -0.347 56.107 56.400 0.089 0.000 0.927 160 E CB 0.050 29.791 29.700 0.067 0.000 1.012 160 E HN 0.431 nan 8.360 nan 0.000 0.482 161 I N 0.863 121.501 120.570 0.113 0.000 2.145 161 I HA -0.315 3.854 4.170 -0.001 0.000 0.244 161 I C 2.159 178.362 176.117 0.143 0.000 1.075 161 I CA 1.589 62.961 61.300 0.119 0.000 1.332 161 I CB -1.223 36.843 38.000 0.111 0.000 1.033 161 I HN 0.200 nan 8.210 nan 0.000 0.410 162 F N 2.159 122.141 119.950 0.054 0.000 2.113 162 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 162 F C 2.524 178.364 175.800 0.067 0.000 1.103 162 F CA 1.539 59.573 58.000 0.056 0.000 1.248 162 F CB -0.080 38.946 39.000 0.043 0.000 0.999 162 F HN 0.016 nan 8.300 nan 0.000 0.475 163 E N 1.005 121.287 120.200 0.137 0.000 2.049 163 E HA -0.242 4.108 4.350 -0.001 0.000 0.198 163 E C 2.433 179.012 176.600 -0.035 0.000 1.007 163 E CA 1.681 58.109 56.400 0.046 0.000 0.809 163 E CB -1.078 28.691 29.700 0.114 0.000 0.749 163 E HN 0.480 nan 8.360 nan 0.000 0.450 164 L N 0.355 121.589 121.223 0.019 0.000 2.083 164 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 164 L C 2.491 179.406 176.870 0.075 0.000 1.083 164 L CA 1.294 56.162 54.840 0.046 0.000 0.752 164 L CB -0.834 41.294 42.059 0.116 0.000 0.899 164 L HN 0.220 nan 8.230 nan 0.000 0.433 165 G N -0.064 108.739 108.800 0.006 0.000 2.440 165 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.218 165 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.218 165 G C 1.670 176.522 174.900 -0.079 0.000 1.154 165 G CA 0.914 46.008 45.100 -0.011 0.000 0.767 165 G HN 0.269 nan 8.290 nan 0.000 0.552 166 K N 0.525 120.775 120.400 -0.250 0.000 2.009 166 K HA -0.098 4.221 4.320 -0.001 0.000 0.210 166 K C 2.566 179.145 176.600 -0.035 0.000 1.049 166 K CA 1.536 57.703 56.287 -0.200 0.000 0.929 166 K CB -0.155 32.181 32.500 -0.274 0.000 0.714 166 K HN 0.221 nan 8.250 nan 0.000 0.440 167 K N -0.585 119.807 120.400 -0.013 0.000 2.032 167 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 167 K C 2.229 178.709 176.600 -0.201 0.000 1.048 167 K CA 1.915 58.210 56.287 0.013 0.000 0.927 167 K CB -0.365 32.141 32.500 0.009 0.000 0.712 167 K HN 0.255 nan 8.250 nan 0.000 0.441 168 Y N 1.174 121.399 120.300 -0.124 0.000 2.181 168 Y HA -0.234 4.315 4.550 -0.001 0.000 0.288 168 Y C 2.397 178.208 175.900 -0.149 0.000 1.146 168 Y CA 0.904 58.909 58.100 -0.157 0.000 1.164 168 Y CB -0.124 38.285 38.460 -0.085 0.000 0.982 168 Y HN 0.021 nan 8.280 nan 0.000 0.515 169 L N 0.189 121.459 121.223 0.078 0.000 1.989 169 L HA -0.281 4.059 4.340 -0.001 0.000 0.211 169 L C 2.158 179.028 176.870 -0.000 0.000 1.071 169 L CA 1.939 56.806 54.840 0.044 0.000 0.749 169 L CB -0.324 41.752 42.059 0.029 0.000 0.890 169 L HN 0.258 nan 8.230 nan 0.000 0.431 170 E N -0.515 119.676 120.200 -0.015 0.000 2.051 170 E HA -0.277 4.072 4.350 -0.001 0.000 0.192 170 E C 2.102 178.539 176.600 -0.272 0.000 0.991 170 E CA 1.427 57.841 56.400 0.025 0.000 0.799 170 E CB -0.411 29.452 29.700 0.271 0.000 0.748 170 E HN 0.418 nan 8.360 nan 0.000 0.449 171 L N 1.459 122.194 121.223 -0.813 0.000 1.989 171 L HA -0.187 4.152 4.340 -0.001 0.000 0.211 171 L C 2.185 178.783 176.870 -0.454 0.000 1.071 171 L CA 1.647 55.705 54.840 -1.302 0.000 0.749 171 L CB -0.319 40.952 42.059 -1.313 0.000 0.890 171 L HN 0.105 nan 8.230 nan 0.000 0.431 172 I N -0.343 120.101 120.570 -0.210 0.000 2.208 172 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 172 I C 2.470 178.589 176.117 0.003 0.000 1.097 172 I CA 1.412 62.682 61.300 -0.050 0.000 1.363 172 I CB -1.079 36.930 38.000 0.015 0.000 1.051 172 I HN 0.483 nan 8.210 nan 0.000 0.413 173 G N -0.283 108.528 108.800 0.018 0.000 2.422 173 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 173 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 173 G C 1.623 176.604 174.900 0.135 0.000 1.146 173 G CA 0.734 45.879 45.100 0.073 0.000 0.769 173 G HN 0.408 nan 8.290 nan 0.000 0.547 174 Y N 1.019 121.344 120.300 0.042 0.000 2.200 174 Y HA -0.089 4.461 4.550 -0.001 0.000 0.290 174 Y C 2.794 178.833 175.900 0.231 0.000 1.137 174 Y CA 1.607 59.818 58.100 0.184 0.000 1.163 174 Y CB -0.179 38.390 38.460 0.182 0.000 0.988 174 Y HN 0.036 nan 8.280 nan 0.000 0.518 175 V N 0.997 121.032 119.914 0.202 0.000 2.295 175 V HA -0.321 3.799 4.120 -0.001 0.000 0.246 175 V C 2.221 178.352 176.094 0.060 0.000 1.049 175 V CA 2.346 64.720 62.300 0.123 0.000 1.024 175 V CB -0.632 31.246 31.823 0.092 0.000 0.648 175 V HN 0.341 nan 8.190 nan 0.000 0.447 176 K N -0.190 120.238 120.400 0.045 0.000 2.152 176 K HA -0.247 4.072 4.320 -0.001 0.000 0.206 176 K C 1.820 178.412 176.600 -0.012 0.000 1.048 176 K CA 1.932 58.229 56.287 0.017 0.000 0.933 176 K CB -0.304 32.208 32.500 0.019 0.000 0.721 176 K HN 0.456 nan 8.250 nan 0.000 0.447 177 D N -0.470 119.923 120.400 -0.012 0.000 2.224 177 D HA -0.076 4.563 4.640 -0.001 0.000 0.205 177 D C 0.686 176.769 176.300 -0.361 0.000 0.965 177 D CA 1.088 54.996 54.000 -0.153 0.000 0.852 177 D CB 0.182 40.895 40.800 -0.146 0.000 0.947 177 D HN 0.306 nan 8.370 nan 0.000 0.494 178 H N -1.061 117.874 119.070 -0.226 0.000 2.581 178 H HA 0.326 4.881 4.556 -0.001 0.000 0.275 178 H C 1.363 176.636 175.328 -0.091 0.000 1.126 178 H CA -0.224 55.716 56.048 -0.180 0.000 1.097 178 H CB 0.091 29.685 29.762 -0.280 0.000 1.626 178 H HN 0.020 nan 8.280 nan 0.000 0.565 179 L N -0.002 121.233 121.223 0.018 0.000 2.127 179 L HA -0.177 4.163 4.340 -0.001 0.000 0.211 179 L C 0.366 177.231 176.870 -0.008 0.000 1.089 179 L CA 1.564 56.408 54.840 0.007 0.000 0.757 179 L CB -0.032 42.023 42.059 -0.008 0.000 0.899 179 L HN 0.397 nan 8.230 nan 0.000 0.434 180 N N -1.724 116.963 118.700 -0.021 0.000 2.273 180 N HA 0.027 4.766 4.740 -0.001 0.000 0.231 180 N C 0.346 175.844 175.510 -0.019 0.000 1.134 180 N CA 0.075 53.110 53.050 -0.025 0.000 0.856 180 N CB 0.669 39.135 38.487 -0.034 0.000 1.068 180 N HN 0.067 nan 8.380 nan 0.000 0.510 181 S N -1.617 114.083 115.700 -0.000 0.000 2.937 181 S HA 0.316 4.786 4.470 -0.001 0.000 0.252 181 S C 0.835 175.457 174.600 0.037 0.000 1.022 181 S CA -0.808 57.399 58.200 0.012 0.000 1.079 181 S CB 0.641 63.847 63.200 0.010 0.000 1.035 181 S HN 0.278 nan 8.310 nan 0.000 0.594 182 G N 2.010 110.828 108.800 0.031 0.000 2.537 182 G HA2 0.532 4.492 3.960 -0.001 0.000 0.297 182 G HA3 0.532 4.492 3.960 -0.001 0.000 0.297 182 G C 0.235 175.139 174.900 0.008 0.000 1.310 182 G CA -0.210 44.910 45.100 0.033 0.000 1.027 182 G HN 0.349 nan 8.290 nan 0.000 0.505 183 T N -2.447 112.108 114.554 0.001 0.000 2.732 183 T HA 0.182 4.531 4.350 -0.001 0.000 0.287 183 T C 1.524 176.205 174.700 -0.031 0.000 0.993 183 T CA 0.588 62.680 62.100 -0.014 0.000 0.966 183 T CB 0.929 69.788 68.868 -0.015 0.000 1.047 183 T HN 0.727 nan 8.240 nan 0.000 0.527 184 E N -0.131 120.047 120.200 -0.038 0.000 2.219 184 E HA -0.167 4.183 4.350 -0.001 0.000 0.198 184 E C 1.769 178.325 176.600 -0.072 0.000 0.998 184 E CA 1.261 57.631 56.400 -0.050 0.000 0.818 184 E CB -0.802 28.870 29.700 -0.047 0.000 0.741 184 E HN 0.425 nan 8.360 nan 0.000 0.477 185 V N 1.699 121.569 119.914 -0.074 0.000 2.233 185 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 185 V C 2.597 178.617 176.094 -0.124 0.000 1.050 185 V CA 1.910 64.148 62.300 -0.102 0.000 1.010 185 V CB -0.778 30.994 31.823 -0.085 0.000 0.637 185 V HN 0.502 nan 8.190 nan 0.000 0.444 186 V N -1.336 118.525 119.914 -0.088 0.000 2.548 186 V HA -0.143 3.977 4.120 -0.001 0.000 0.249 186 V C 2.312 178.345 176.094 -0.103 0.000 1.055 186 V CA 2.327 64.568 62.300 -0.098 0.000 1.065 186 V CB -0.122 31.677 31.823 -0.040 0.000 0.681 186 V HN 0.504 nan 8.190 nan 0.000 0.462 187 S N 0.302 115.955 115.700 -0.078 0.000 2.359 187 S HA -0.228 4.242 4.470 -0.001 0.000 0.224 187 S C 2.070 176.615 174.600 -0.092 0.000 1.035 187 S CA 2.237 60.394 58.200 -0.071 0.000 1.018 187 S CB -0.547 62.621 63.200 -0.054 0.000 0.876 187 S HN 0.739 nan 8.310 nan 0.000 0.448 188 R N 0.517 120.951 120.500 -0.110 0.000 2.105 188 R HA -0.084 4.256 4.340 -0.001 0.000 0.239 188 R C 1.997 178.198 176.300 -0.164 0.000 1.135 188 R CA 1.301 57.327 56.100 -0.123 0.000 0.967 188 R CB -0.287 29.935 30.300 -0.129 0.000 0.861 188 R HN 0.264 nan 8.270 nan 0.000 0.442 189 V N -0.337 119.437 119.914 -0.232 0.000 2.323 189 V HA -0.170 3.950 4.120 -0.001 0.000 0.244 189 V C 2.153 178.146 176.094 -0.168 0.000 1.041 189 V CA 1.440 63.558 62.300 -0.303 0.000 1.025 189 V CB -0.024 31.517 31.823 -0.470 0.000 0.656 189 V HN 0.178 nan 8.190 nan 0.000 0.451 190 V N 0.652 120.492 119.914 -0.124 0.000 2.759 190 V HA -0.114 4.005 4.120 -0.001 0.000 0.256 190 V C 1.419 177.475 176.094 -0.064 0.000 1.080 190 V CA 1.448 63.701 62.300 -0.077 0.000 1.101 190 V CB -0.690 31.098 31.823 -0.059 0.000 0.698 190 V HN 0.591 nan 8.190 nan 0.000 0.477 191 N N 0.325 118.981 118.700 -0.072 0.000 2.321 191 N HA 0.120 4.859 4.740 -0.001 0.000 0.242 191 N C 0.541 176.017 175.510 -0.056 0.000 1.141 191 N CA 0.255 53.271 53.050 -0.057 0.000 0.864 191 N CB 0.670 39.126 38.487 -0.053 0.000 1.100 191 N HN 0.622 nan 8.380 nan 0.000 0.510 192 S N 0.382 116.045 115.700 -0.061 0.000 2.745 192 S HA 0.254 4.723 4.470 -0.001 0.000 0.292 192 S C 1.066 175.646 174.600 -0.034 0.000 1.127 192 S CA -0.649 57.521 58.200 -0.050 0.000 1.007 192 S CB 1.000 64.164 63.200 -0.060 0.000 1.165 192 S HN 0.216 nan 8.310 nan 0.000 0.544 193 N N 0.164 118.848 118.700 -0.025 0.000 2.461 193 N HA 0.060 4.800 4.740 -0.001 0.000 0.188 193 N C 0.328 175.831 175.510 -0.012 0.000 1.134 193 N CA -0.020 53.019 53.050 -0.019 0.000 0.878 193 N CB -0.749 37.727 38.487 -0.019 0.000 0.972 193 N HN 0.593 nan 8.380 nan 0.000 0.456 194 L N 1.570 122.791 121.223 -0.003 0.000 2.483 194 L HA 0.034 4.373 4.340 -0.001 0.000 0.275 194 L C 1.050 177.918 176.870 -0.003 0.000 1.220 194 L CA -0.245 54.605 54.840 0.016 0.000 0.833 194 L CB 0.334 42.422 42.059 0.048 0.000 1.102 194 L HN 0.229 nan 8.230 nan 0.000 0.490 195 S N 0.119 115.812 115.700 -0.011 0.000 2.608 195 S HA 0.048 4.518 4.470 -0.001 0.000 0.261 195 S C 0.583 175.165 174.600 -0.029 0.000 1.314 195 S CA -0.775 57.405 58.200 -0.034 0.000 0.992 195 S CB 1.045 64.204 63.200 -0.069 0.000 0.935 195 S HN 0.560 nan 8.310 nan 0.000 0.564 196 D N 0.649 121.030 120.400 -0.033 0.000 2.123 196 D HA -0.057 4.582 4.640 -0.001 0.000 0.196 196 D C 1.712 177.996 176.300 -0.027 0.000 0.992 196 D CA 1.168 55.153 54.000 -0.024 0.000 0.833 196 D CB -0.417 40.371 40.800 -0.020 0.000 0.954 196 D HN 0.572 nan 8.370 nan 0.000 0.455 197 I N 0.963 121.501 120.570 -0.052 0.000 2.226 197 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 197 I C 2.230 178.336 176.117 -0.020 0.000 1.100 197 I CA 1.151 62.417 61.300 -0.057 0.000 1.374 197 I CB -0.080 37.855 38.000 -0.108 0.000 1.057 197 I HN -0.017 nan 8.210 nan 0.000 0.413 198 E N 0.556 120.738 120.200 -0.030 0.000 2.110 198 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 198 E C 2.148 178.807 176.600 0.099 0.000 0.988 198 E CA 1.094 57.511 56.400 0.029 0.000 0.804 198 E CB 0.002 29.737 29.700 0.059 0.000 0.745 198 E HN 0.425 nan 8.360 nan 0.000 0.458 199 K N 0.286 120.723 120.400 0.062 0.000 2.057 199 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 199 K C 2.052 178.694 176.600 0.069 0.000 1.049 199 K CA 0.828 57.150 56.287 0.057 0.000 0.931 199 K CB -0.088 32.413 32.500 0.002 0.000 0.714 199 K HN -0.005 nan 8.250 nan 0.000 0.440 200 L N 0.585 121.832 121.223 0.041 0.000 2.017 200 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 200 L C 2.417 179.318 176.870 0.051 0.000 1.073 200 L CA 2.015 56.875 54.840 0.033 0.000 0.745 200 L CB -1.289 40.773 42.059 0.004 0.000 0.894 200 L HN 0.301 nan 8.230 nan 0.000 0.432 201 G N -2.177 106.651 108.800 0.047 0.000 2.446 201 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.217 201 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.217 201 G C 1.641 176.587 174.900 0.078 0.000 1.168 201 G CA 0.911 46.028 45.100 0.028 0.000 0.771 201 G HN 0.350 nan 8.290 nan 0.000 0.551 202 Y N 1.192 121.490 120.300 -0.003 0.000 2.097 202 Y HA -0.123 4.427 4.550 -0.001 0.000 0.282 202 Y C 2.736 178.636 175.900 -0.000 0.000 1.152 202 Y CA 0.839 58.943 58.100 0.006 0.000 1.136 202 Y CB -0.157 38.308 38.460 0.008 0.000 0.975 202 Y HN 0.093 nan 8.280 nan 0.000 0.498 203 I N -0.173 120.541 120.570 0.241 0.000 2.315 203 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 203 I C 2.473 178.645 176.117 0.091 0.000 1.117 203 I CA 1.313 62.694 61.300 0.134 0.000 1.404 203 I CB -1.351 36.691 38.000 0.070 0.000 1.071 203 I HN 0.275 nan 8.210 nan 0.000 0.419 204 I N 0.191 120.800 120.570 0.064 0.000 2.252 204 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 204 I C 2.545 178.671 176.117 0.015 0.000 1.102 204 I CA 0.897 62.208 61.300 0.018 0.000 1.385 204 I CB -0.276 37.723 38.000 -0.002 0.000 1.064 204 I HN 0.176 nan 8.210 nan 0.000 0.414 205 L N 0.875 122.112 121.223 0.024 0.000 1.989 205 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 205 L C 2.305 179.202 176.870 0.045 0.000 1.071 205 L CA 1.949 56.790 54.840 0.002 0.000 0.749 205 L CB -0.532 41.502 42.059 -0.041 0.000 0.890 205 L HN 0.132 nan 8.230 nan 0.000 0.431 206 L N -1.271 120.011 121.223 0.098 0.000 2.083 206 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 206 L C 2.489 179.411 176.870 0.086 0.000 1.083 206 L CA 0.956 55.874 54.840 0.130 0.000 0.752 206 L CB -0.640 41.516 42.059 0.161 0.000 0.899 206 L HN 0.372 nan 8.230 nan 0.000 0.433 207 L N 0.386 121.626 121.223 0.028 0.000 2.072 207 L HA -0.127 4.212 4.340 -0.001 0.000 0.205 207 L C 2.037 178.873 176.870 -0.055 0.000 1.079 207 L CA 1.797 56.602 54.840 -0.058 0.000 0.752 207 L CB -0.130 41.859 42.059 -0.117 0.000 0.906 207 L HN 0.313 nan 8.230 nan 0.000 0.436 208 I N -4.986 115.576 120.570 -0.013 0.000 4.181 208 I HA 0.350 4.520 4.170 -0.001 0.000 0.331 208 I C 2.007 178.142 176.117 0.031 0.000 1.312 208 I CA 0.619 61.923 61.300 0.006 0.000 1.146 208 I CB -0.415 37.590 38.000 0.009 0.000 1.074 208 I HN 0.013 nan 8.210 nan 0.000 0.402 209 A N 2.010 124.851 122.820 0.036 0.000 1.986 209 A HA -0.027 4.292 4.320 -0.001 0.000 0.220 209 A C 2.115 179.781 177.584 0.138 0.000 1.171 209 A CA 1.949 54.021 52.037 0.057 0.000 0.640 209 A CB -1.126 17.909 19.000 0.058 0.000 0.811 209 A HN 0.601 nan 8.150 nan 0.000 0.451 210 G N -1.750 107.121 108.800 0.119 0.000 3.324 210 G HA2 0.113 4.073 3.960 -0.001 0.000 0.251 210 G HA3 0.113 4.073 3.960 -0.001 0.000 0.251 210 G C 0.869 175.827 174.900 0.097 0.000 1.072 210 G CA 0.332 45.509 45.100 0.129 0.000 0.787 210 G HN 0.391 nan 8.290 nan 0.000 0.537 211 N N 1.593 120.341 118.700 0.080 0.000 2.051 211 N HA -0.077 4.662 4.740 -0.001 0.000 0.192 211 N C 1.946 177.495 175.510 0.066 0.000 1.049 211 N CA 1.082 54.170 53.050 0.063 0.000 0.845 211 N CB -0.259 38.259 38.487 0.050 0.000 1.031 211 N HN 0.383 nan 8.380 nan 0.000 0.425 212 E N 0.246 120.490 120.200 0.074 0.000 2.110 212 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 212 E C 1.972 178.611 176.600 0.064 0.000 0.988 212 E CA 1.697 58.137 56.400 0.066 0.000 0.804 212 E CB -0.288 29.455 29.700 0.073 0.000 0.745 212 E HN 0.583 nan 8.360 nan 0.000 0.458 213 T N -0.744 113.866 114.554 0.093 0.000 2.708 213 T HA -0.133 4.217 4.350 -0.001 0.000 0.266 213 T C 2.152 176.885 174.700 0.055 0.000 1.037 213 T CA 1.715 63.854 62.100 0.066 0.000 1.146 213 T CB -0.696 68.240 68.868 0.115 0.000 0.865 213 T HN -0.031 nan 8.240 nan 0.000 0.435 214 T N 1.712 116.313 114.554 0.078 0.000 2.821 214 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 214 T C 2.251 176.977 174.700 0.043 0.000 1.046 214 T CA 1.666 63.808 62.100 0.070 0.000 1.139 214 T CB -0.885 68.024 68.868 0.068 0.000 0.871 214 T HN 0.488 nan 8.240 nan 0.000 0.454 215 T N 2.544 117.121 114.554 0.039 0.000 2.684 215 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 215 T C 2.044 176.759 174.700 0.025 0.000 1.036 215 T CA 1.118 63.234 62.100 0.026 0.000 1.148 215 T CB -0.395 68.490 68.868 0.028 0.000 0.863 215 T HN 0.302 nan 8.240 nan 0.000 0.436 216 N N 1.223 119.939 118.700 0.027 0.000 2.166 216 N HA -0.040 4.699 4.740 -0.001 0.000 0.186 216 N C 1.691 177.211 175.510 0.017 0.000 1.019 216 N CA 0.555 53.622 53.050 0.027 0.000 0.856 216 N CB -0.649 37.838 38.487 -0.001 0.000 0.993 216 N HN 0.237 nan 8.380 nan 0.000 0.426 217 L N 1.166 122.390 121.223 0.001 0.000 2.017 217 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 217 L C 1.880 178.735 176.870 -0.024 0.000 1.073 217 L CA 1.386 56.218 54.840 -0.013 0.000 0.745 217 L CB -0.738 41.328 42.059 0.011 0.000 0.894 217 L HN 0.095 nan 8.230 nan 0.000 0.432 218 I N -0.902 119.660 120.570 -0.013 0.000 2.179 218 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 218 I C 2.404 178.472 176.117 -0.081 0.000 1.088 218 I CA 1.477 62.753 61.300 -0.040 0.000 1.357 218 I CB -0.527 37.455 38.000 -0.031 0.000 1.051 218 I HN 0.246 nan 8.210 nan 0.000 0.409 219 S N 0.958 116.634 115.700 -0.040 0.000 2.348 219 S HA -0.170 4.299 4.470 -0.001 0.000 0.221 219 S C 1.767 176.342 174.600 -0.042 0.000 1.033 219 S CA 1.539 59.720 58.200 -0.032 0.000 1.010 219 S CB -0.455 62.806 63.200 0.100 0.000 0.891 219 S HN 0.427 nan 8.310 nan 0.000 0.442 220 N N 1.421 120.147 118.700 0.043 0.000 2.166 220 N HA 0.004 4.743 4.740 -0.001 0.000 0.186 220 N C 1.842 177.264 175.510 -0.145 0.000 1.019 220 N CA 0.994 54.078 53.050 0.055 0.000 0.856 220 N CB -0.605 37.930 38.487 0.081 0.000 0.993 220 N HN 0.239 nan 8.380 nan 0.000 0.426 221 S N 0.104 115.639 115.700 -0.275 0.000 2.355 221 S HA -0.038 4.432 4.470 -0.001 0.000 0.222 221 S C 2.207 176.263 174.600 -0.906 0.000 1.031 221 S CA 0.662 58.422 58.200 -0.732 0.000 0.993 221 S CB -0.251 62.577 63.200 -0.620 0.000 0.859 221 S HN 0.075 nan 8.310 nan 0.000 0.453 222 V N 2.458 122.148 119.914 -0.374 0.000 2.332 222 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 222 V C 2.204 178.259 176.094 -0.065 0.000 1.055 222 V CA 1.352 63.635 62.300 -0.028 0.000 1.038 222 V CB -0.581 31.239 31.823 -0.005 0.000 0.651 222 V HN 0.422 nan 8.190 nan 0.000 0.450 223 I N 0.088 120.532 120.570 -0.211 0.000 2.179 223 I HA -0.190 3.979 4.170 -0.001 0.000 0.242 223 I C 2.331 178.296 176.117 -0.253 0.000 1.088 223 I CA 1.778 62.937 61.300 -0.235 0.000 1.357 223 I CB -1.193 36.624 38.000 -0.305 0.000 1.051 223 I HN 0.358 nan 8.210 nan 0.000 0.409 224 D N 0.682 120.902 120.400 -0.300 0.000 2.097 224 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 224 D C 2.158 178.275 176.300 -0.306 0.000 0.989 224 D CA 1.170 54.945 54.000 -0.375 0.000 0.827 224 D CB -0.324 40.273 40.800 -0.338 0.000 0.966 224 D HN 0.158 nan 8.370 nan 0.000 0.456 225 F N 1.272 120.951 119.950 -0.452 0.000 2.161 225 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 225 F C 2.603 178.142 175.800 -0.434 0.000 1.089 225 F CA 0.817 58.432 58.000 -0.643 0.000 1.282 225 F CB -1.433 36.821 39.000 -1.243 0.000 1.010 225 F HN -0.052 nan 8.300 nan 0.000 0.485 226 T N 0.554 115.161 114.554 0.087 0.000 2.732 226 T HA -0.141 4.208 4.350 -0.001 0.000 0.261 226 T C 2.052 176.747 174.700 -0.009 0.000 1.040 226 T CA 1.435 63.685 62.100 0.251 0.000 1.145 226 T CB -0.251 68.764 68.868 0.246 0.000 0.866 226 T HN 0.308 nan 8.240 nan 0.000 0.427 227 R N 0.477 120.844 120.500 -0.222 0.000 2.148 227 R HA 0.010 4.349 4.340 -0.001 0.000 0.227 227 R C 1.287 177.350 176.300 -0.396 0.000 1.103 227 R CA 1.484 57.361 56.100 -0.372 0.000 0.983 227 R CB -0.602 29.354 30.300 -0.575 0.000 0.874 227 R HN 0.304 nan 8.270 nan 0.000 0.451 228 F N 1.567 121.435 119.950 -0.137 0.000 2.727 228 F HA 0.276 4.802 4.527 -0.001 0.000 0.302 228 F C -0.102 175.645 175.800 -0.089 0.000 1.097 228 F CA -0.883 57.029 58.000 -0.147 0.000 1.330 228 F CB -0.157 38.668 39.000 -0.291 0.000 1.084 228 F HN 0.022 nan 8.300 nan 0.000 0.578 229 N N 1.358 120.109 118.700 0.085 0.000 2.671 229 N HA -0.215 4.524 4.740 -0.001 0.000 0.261 229 N C 0.229 175.779 175.510 0.066 0.000 1.053 229 N CA 0.589 53.706 53.050 0.111 0.000 0.732 229 N CB -1.624 36.926 38.487 0.105 0.000 0.887 229 N HN 0.390 nan 8.380 nan 0.000 0.546 230 L N -2.904 118.298 121.223 -0.034 0.000 2.766 230 L HA 0.206 4.545 4.340 -0.001 0.000 0.242 230 L C 1.880 178.633 176.870 -0.195 0.000 1.136 230 L CA -0.401 54.348 54.840 -0.151 0.000 0.933 230 L CB -0.065 41.833 42.059 -0.268 0.000 1.241 230 L HN 0.247 nan 8.230 nan 0.000 0.522 231 W N 1.316 122.610 121.300 -0.010 0.000 2.317 231 W HA -0.279 4.380 4.660 -0.001 0.000 0.318 231 W C 2.746 179.220 176.519 -0.075 0.000 1.227 231 W CA 1.693 59.037 57.345 -0.002 0.000 1.269 231 W CB -0.252 29.304 29.460 0.160 0.000 1.155 231 W HN 0.220 nan 8.180 nan 0.000 0.484 232 Q N 0.305 120.222 119.800 0.195 0.000 2.030 232 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 232 Q C 2.459 178.456 176.000 -0.006 0.000 0.986 232 Q CA 1.729 57.581 55.803 0.082 0.000 0.843 232 Q CB -0.271 28.514 28.738 0.078 0.000 0.904 232 Q HN 0.171 nan 8.270 nan 0.000 0.420 233 R N -0.012 120.461 120.500 -0.044 0.000 2.073 233 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 233 R C 2.361 178.553 176.300 -0.181 0.000 1.134 233 R CA 1.505 57.547 56.100 -0.097 0.000 0.952 233 R CB -0.508 29.731 30.300 -0.102 0.000 0.850 233 R HN 0.398 nan 8.270 nan 0.000 0.433 234 I N 0.273 120.669 120.570 -0.289 0.000 2.208 234 I HA -0.326 3.843 4.170 -0.001 0.000 0.245 234 I C 2.767 178.560 176.117 -0.539 0.000 1.097 234 I CA 1.413 62.411 61.300 -0.503 0.000 1.363 234 I CB -0.232 37.321 38.000 -0.746 0.000 1.051 234 I HN 0.153 nan 8.210 nan 0.000 0.413 235 R N 0.434 120.756 120.500 -0.298 0.000 2.062 235 R HA -0.143 4.196 4.340 -0.001 0.000 0.231 235 R C 2.243 178.497 176.300 -0.076 0.000 1.136 235 R CA 1.472 57.499 56.100 -0.122 0.000 0.948 235 R CB -0.327 29.984 30.300 0.017 0.000 0.845 235 R HN 0.442 nan 8.270 nan 0.000 0.430 236 E N 0.577 120.736 120.200 -0.069 0.000 2.033 236 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 236 E C 1.474 178.043 176.600 -0.051 0.000 1.011 236 E CA 1.641 58.015 56.400 -0.043 0.000 0.815 236 E CB -0.015 29.663 29.700 -0.038 0.000 0.755 236 E HN 0.491 nan 8.360 nan 0.000 0.451 237 E N 0.585 120.734 120.200 -0.086 0.000 2.465 237 E HA -0.011 4.338 4.350 -0.001 0.000 0.191 237 E C 0.020 176.570 176.600 -0.084 0.000 1.053 237 E CA -0.080 56.276 56.400 -0.074 0.000 0.869 237 E CB -0.146 29.507 29.700 -0.079 0.000 0.977 237 E HN 0.091 nan 8.360 nan 0.000 0.483 238 N N 1.314 119.942 118.700 -0.120 0.000 2.696 238 N HA -0.193 4.547 4.740 -0.001 0.000 0.256 238 N C -0.300 175.135 175.510 -0.125 0.000 1.031 238 N CA 0.258 53.255 53.050 -0.088 0.000 0.730 238 N CB -1.464 37.059 38.487 0.060 0.000 0.894 238 N HN 0.347 nan 8.380 nan 0.000 0.544 239 L N 0.336 121.380 121.223 -0.299 0.000 2.653 239 L HA 0.087 4.426 4.340 -0.001 0.000 0.232 239 L C 1.208 177.958 176.870 -0.200 0.000 1.169 239 L CA -0.341 54.368 54.840 -0.218 0.000 0.951 239 L CB -0.351 41.561 42.059 -0.245 0.000 1.181 239 L HN 0.243 nan 8.230 nan 0.000 0.460 240 Y N 0.286 120.572 120.300 -0.024 0.000 2.053 240 Y HA -0.359 4.191 4.550 -0.001 0.000 0.277 240 Y C 2.402 178.346 175.900 0.074 0.000 1.159 240 Y CA 1.958 60.073 58.100 0.025 0.000 1.125 240 Y CB -0.496 38.004 38.460 0.067 0.000 0.969 240 Y HN 0.163 nan 8.280 nan 0.000 0.492 241 L N 0.173 121.536 121.223 0.232 0.000 1.989 241 L HA -0.296 4.043 4.340 -0.001 0.000 0.211 241 L C 2.246 179.204 176.870 0.146 0.000 1.071 241 L CA 1.955 56.901 54.840 0.177 0.000 0.749 241 L CB -0.341 41.799 42.059 0.136 0.000 0.890 241 L HN 0.164 nan 8.230 nan 0.000 0.431 242 K N -0.455 119.999 120.400 0.090 0.000 2.097 242 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 242 K C 2.063 178.699 176.600 0.060 0.000 1.050 242 K CA 1.152 57.475 56.287 0.061 0.000 0.938 242 K CB -0.247 32.261 32.500 0.012 0.000 0.718 242 K HN 0.503 nan 8.250 nan 0.000 0.442 243 A N 1.233 124.086 122.820 0.056 0.000 1.930 243 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 243 A C 2.062 179.883 177.584 0.394 0.000 1.175 243 A CA 1.110 53.221 52.037 0.124 0.000 0.627 243 A CB -0.437 18.438 19.000 -0.209 0.000 0.815 243 A HN 0.155 nan 8.150 nan 0.000 0.443 244 I N -0.349 120.444 120.570 0.372 0.000 2.394 244 I HA -0.176 3.993 4.170 -0.001 0.000 0.251 244 I C 2.300 178.544 176.117 0.211 0.000 1.136 244 I CA 0.960 62.472 61.300 0.354 0.000 1.425 244 I CB -0.160 38.023 38.000 0.305 0.000 1.079 244 I HN 0.253 nan 8.210 nan 0.000 0.425 245 E N 0.428 120.740 120.200 0.186 0.000 2.106 245 E HA -0.256 4.093 4.350 -0.001 0.000 0.192 245 E C 1.958 178.582 176.600 0.040 0.000 0.984 245 E CA 1.069 57.573 56.400 0.173 0.000 0.806 245 E CB -0.151 29.686 29.700 0.230 0.000 0.750 245 E HN 0.407 nan 8.360 nan 0.000 0.458 246 E N 0.803 120.986 120.200 -0.027 0.000 2.208 246 E HA -0.041 4.308 4.350 -0.001 0.000 0.193 246 E C 1.760 178.228 176.600 -0.220 0.000 0.988 246 E CA 1.041 57.261 56.400 -0.300 0.000 0.828 246 E CB -0.104 29.185 29.700 -0.684 0.000 0.763 246 E HN 0.177 nan 8.360 nan 0.000 0.478 247 A N 0.321 123.227 122.820 0.143 0.000 1.897 247 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 247 A C 2.218 179.836 177.584 0.056 0.000 1.181 247 A CA 1.089 53.308 52.037 0.304 0.000 0.620 247 A CB -0.674 18.445 19.000 0.200 0.000 0.821 247 A HN 0.333 nan 8.150 nan 0.000 0.443 248 L N -0.848 120.306 121.223 -0.115 0.000 2.042 248 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 248 L C 2.836 179.447 176.870 -0.431 0.000 1.076 248 L CA 1.906 56.526 54.840 -0.366 0.000 0.749 248 L CB -0.377 41.292 42.059 -0.650 0.000 0.893 248 L HN 0.477 nan 8.230 nan 0.000 0.432 249 R N -1.012 119.255 120.500 -0.388 0.000 2.066 249 R HA -0.222 4.118 4.340 -0.001 0.000 0.232 249 R C 2.431 178.645 176.300 -0.143 0.000 1.131 249 R CA 1.727 57.656 56.100 -0.286 0.000 0.955 249 R CB -0.426 29.715 30.300 -0.265 0.000 0.851 249 R HN 0.280 nan 8.270 nan 0.000 0.432 250 Y N 0.074 120.263 120.300 -0.185 0.000 2.263 250 Y HA 0.047 4.596 4.550 -0.001 0.000 0.292 250 Y C 0.410 176.326 175.900 0.028 0.000 1.130 250 Y CA 1.269 59.323 58.100 -0.077 0.000 1.179 250 Y CB 0.574 39.074 38.460 0.066 0.000 0.998 250 Y HN -0.041 nan 8.280 nan 0.000 0.532 251 S N 2.660 118.452 115.700 0.153 0.000 2.128 251 S HA 0.261 4.730 4.470 -0.001 0.000 0.157 251 S C -2.812 171.803 174.600 0.024 0.000 1.650 251 S CA -1.172 57.095 58.200 0.111 0.000 1.269 251 S CB 0.660 63.980 63.200 0.201 0.000 1.227 251 S HN 0.090 nan 8.310 nan 0.000 0.405 252 P HA 0.180 nan 4.420 nan 0.000 0.267 252 P C -2.363 174.877 177.300 -0.101 0.000 1.209 252 P CA -1.023 62.014 63.100 -0.105 0.000 0.763 252 P CB 0.581 32.224 31.700 -0.095 0.000 0.816 253 P HA -0.100 nan 4.420 nan 0.000 0.219 253 P C 0.159 177.347 177.300 -0.186 0.000 1.146 253 P CA 1.263 64.282 63.100 -0.134 0.000 0.808 253 P CB 0.219 31.840 31.700 -0.132 0.000 0.779 254 V N 0.605 120.361 119.914 -0.263 0.000 2.350 254 V HA 0.152 4.271 4.120 -0.001 0.000 0.285 254 V C 1.221 177.187 176.094 -0.214 0.000 1.014 254 V CA -0.279 61.803 62.300 -0.364 0.000 0.831 254 V CB 1.373 32.782 31.823 -0.689 0.000 1.000 254 V HN -0.063 nan 8.190 nan 0.000 0.433 255 M N 3.778 123.304 119.600 -0.123 0.000 2.319 255 M HA 0.112 4.591 4.480 -0.001 0.000 0.265 255 M C 0.815 177.094 176.300 -0.035 0.000 1.068 255 M CA 1.287 56.594 55.300 0.012 0.000 1.118 255 M CB -0.609 32.081 32.600 0.150 0.000 1.395 255 M HN 0.814 nan 8.290 nan 0.000 0.435 256 R N -2.670 117.711 120.500 -0.198 0.000 2.728 256 R HA 0.602 4.941 4.340 -0.001 0.000 0.274 256 R C -0.906 175.242 176.300 -0.253 0.000 1.030 256 R CA -0.719 55.197 56.100 -0.307 0.000 0.876 256 R CB 1.390 31.265 30.300 -0.708 0.000 1.259 256 R HN -0.134 nan 8.270 nan 0.000 0.468 257 T N -0.425 113.992 114.554 -0.227 0.000 2.838 257 T HA 0.643 4.992 4.350 -0.001 0.000 0.292 257 T C -1.633 172.973 174.700 -0.156 0.000 1.113 257 T CA -0.559 61.468 62.100 -0.122 0.000 1.008 257 T CB 2.077 70.920 68.868 -0.043 0.000 1.259 257 T HN 0.498 nan 8.240 nan 0.000 0.520 258 V N 1.837 121.690 119.914 -0.101 0.000 2.962 258 V HA 0.939 5.058 4.120 -0.001 0.000 0.313 258 V C -1.503 174.581 176.094 -0.016 0.000 1.099 258 V CA -0.646 61.599 62.300 -0.091 0.000 0.971 258 V CB 2.020 33.752 31.823 -0.153 0.000 1.028 258 V HN 0.921 nan 8.190 nan 0.000 0.430 259 R N 3.070 123.609 120.500 0.066 0.000 2.817 259 R HA 0.587 4.927 4.340 -0.001 0.000 0.268 259 R C -1.506 174.952 176.300 0.263 0.000 1.027 259 R CA -0.883 55.306 56.100 0.148 0.000 0.928 259 R CB 2.049 32.451 30.300 0.169 0.000 1.228 259 R HN 0.787 nan 8.270 nan 0.000 0.469 260 K N 0.650 121.191 120.400 0.236 0.000 2.443 260 K HA 0.315 4.635 4.320 -0.001 0.000 0.252 260 K C -0.774 175.866 176.600 0.067 0.000 0.933 260 K CA -0.394 55.998 56.287 0.176 0.000 0.792 260 K CB 1.619 34.191 32.500 0.119 0.000 1.185 260 K HN 0.721 nan 8.250 nan 0.000 0.425 261 T N 1.088 115.638 114.554 -0.007 0.000 2.916 261 T HA 0.099 4.448 4.350 -0.001 0.000 0.303 261 T C 0.764 175.357 174.700 -0.179 0.000 1.025 261 T CA -0.405 61.586 62.100 -0.181 0.000 1.142 261 T CB 1.110 69.844 68.868 -0.223 0.000 0.947 261 T HN 0.459 nan 8.240 nan 0.000 0.544 262 K N 1.165 121.422 120.400 -0.239 0.000 2.374 262 K HA 0.178 4.497 4.320 -0.001 0.000 0.196 262 K C 0.376 176.870 176.600 -0.176 0.000 1.023 262 K CA -0.023 56.159 56.287 -0.175 0.000 1.103 262 K CB 0.029 32.431 32.500 -0.163 0.000 0.848 262 K HN 0.988 nan 8.250 nan 0.000 0.528 263 E N -1.634 118.435 120.200 -0.218 0.000 2.374 263 E HA 0.061 4.410 4.350 -0.001 0.000 0.281 263 E C -1.324 175.144 176.600 -0.220 0.000 1.170 263 E CA -1.110 55.179 56.400 -0.186 0.000 0.919 263 E CB 0.193 29.794 29.700 -0.166 0.000 1.218 263 E HN -0.029 nan 8.360 nan 0.000 0.425 264 R N 1.323 121.719 120.500 -0.173 0.000 2.537 264 R HA 0.355 4.695 4.340 -0.001 0.000 0.281 264 R C -1.044 175.129 176.300 -0.212 0.000 0.988 264 R CA 0.250 56.244 56.100 -0.178 0.000 1.077 264 R CB 0.749 30.973 30.300 -0.127 0.000 0.932 264 R HN 0.550 nan 8.270 nan 0.000 0.409 265 V N 3.034 122.797 119.914 -0.251 0.000 3.087 265 V HA 0.450 4.570 4.120 -0.001 0.000 0.306 265 V C -1.363 174.605 176.094 -0.210 0.000 1.187 265 V CA -1.100 61.051 62.300 -0.248 0.000 0.999 265 V CB 2.278 33.868 31.823 -0.388 0.000 1.049 265 V HN 0.954 nan 8.190 nan 0.000 0.431 266 K N 4.328 124.641 120.400 -0.146 0.000 2.263 266 K HA 0.639 4.958 4.320 -0.001 0.000 0.272 266 K C -1.484 175.049 176.600 -0.110 0.000 1.033 266 K CA -0.616 55.589 56.287 -0.136 0.000 0.884 266 K CB 1.370 33.813 32.500 -0.095 0.000 1.107 266 K HN 0.596 nan 8.250 nan 0.000 0.460 267 L N 5.427 126.543 121.223 -0.179 0.000 2.319 267 L HA 0.496 4.836 4.340 -0.001 0.000 0.281 267 L C 0.371 176.979 176.870 -0.436 0.000 1.005 267 L CA 0.888 55.592 54.840 -0.227 0.000 0.828 267 L CB 1.040 42.985 42.059 -0.190 0.000 1.227 267 L HN 0.932 nan 8.230 nan 0.000 0.415 268 G N 4.260 112.724 108.800 -0.560 0.000 2.536 268 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.280 268 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.280 268 G C 0.432 175.218 174.900 -0.190 0.000 1.152 268 G CA 0.428 45.166 45.100 -0.603 0.000 0.970 268 G HN 0.595 nan 8.290 nan 0.000 0.549 269 D N 1.424 121.755 120.400 -0.115 0.000 2.363 269 D HA 0.249 4.889 4.640 -0.001 0.000 0.214 269 D C 0.645 176.936 176.300 -0.016 0.000 1.093 269 D CA 0.365 54.350 54.000 -0.025 0.000 0.837 269 D CB 0.138 40.957 40.800 0.031 0.000 0.948 269 D HN 0.374 nan 8.370 nan 0.000 0.507 270 Q N -0.200 119.561 119.800 -0.065 0.000 2.257 270 Q HA 0.411 4.750 4.340 -0.001 0.000 0.262 270 Q C -0.251 175.641 176.000 -0.181 0.000 0.997 270 Q CA -0.397 55.373 55.803 -0.054 0.000 0.873 270 Q CB 1.589 30.325 28.738 -0.002 0.000 1.312 270 Q HN -0.031 nan 8.270 nan 0.000 0.450 271 T N -0.275 114.185 114.554 -0.158 0.000 2.821 271 T HA 0.585 4.934 4.350 -0.001 0.000 0.307 271 T C 0.496 175.000 174.700 -0.327 0.000 1.034 271 T CA -0.527 61.452 62.100 -0.202 0.000 0.953 271 T CB 0.055 68.862 68.868 -0.102 0.000 0.968 271 T HN 0.359 nan 8.240 nan 0.000 0.462 272 I N 3.096 123.346 120.570 -0.533 0.000 2.371 272 I HA 0.215 4.384 4.170 -0.001 0.000 0.290 272 I C 0.727 176.640 176.117 -0.339 0.000 1.028 272 I CA -0.792 60.080 61.300 -0.714 0.000 1.345 272 I CB 0.696 38.142 38.000 -0.922 0.000 1.407 272 I HN 0.468 nan 8.210 nan 0.000 0.501 273 E N 5.040 125.128 120.200 -0.187 0.000 2.374 273 E HA 0.106 4.455 4.350 -0.001 0.000 0.260 273 E C -0.259 176.267 176.600 -0.123 0.000 1.101 273 E CA -0.341 55.990 56.400 -0.114 0.000 0.907 273 E CB 0.673 30.346 29.700 -0.045 0.000 1.014 273 E HN 0.473 nan 8.360 nan 0.000 0.427 274 E N -0.433 119.698 120.200 -0.115 0.000 2.452 274 E HA 0.119 4.468 4.350 -0.001 0.000 0.261 274 E C 0.604 177.147 176.600 -0.095 0.000 0.987 274 E CA 1.002 57.332 56.400 -0.118 0.000 0.926 274 E CB 0.132 29.772 29.700 -0.100 0.000 0.934 274 E HN 0.681 nan 8.360 nan 0.000 0.452 275 G N 3.087 111.821 108.800 -0.109 0.000 2.147 275 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 275 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 275 G C -0.251 174.568 174.900 -0.135 0.000 1.005 275 G CA 0.217 45.245 45.100 -0.119 0.000 0.713 275 G HN 0.522 nan 8.290 nan 0.000 0.515 276 E N -0.564 119.595 120.200 -0.067 0.000 2.242 276 E HA 0.472 4.821 4.350 -0.001 0.000 0.275 276 E C -0.508 176.143 176.600 0.084 0.000 1.002 276 E CA -0.876 55.544 56.400 0.033 0.000 0.841 276 E CB 1.126 30.948 29.700 0.204 0.000 1.109 276 E HN 0.189 nan 8.360 nan 0.000 0.394 277 Y N 0.557 120.964 120.300 0.178 0.000 2.319 277 Y HA 0.146 4.696 4.550 -0.001 0.000 0.328 277 Y C 0.310 176.334 175.900 0.207 0.000 1.133 277 Y CA -0.492 57.696 58.100 0.146 0.000 1.265 277 Y CB 0.982 39.506 38.460 0.107 0.000 1.218 277 Y HN 0.107 nan 8.280 nan 0.000 0.508 278 V N 5.291 125.409 119.914 0.341 0.000 2.407 278 V HA 0.376 4.496 4.120 -0.001 0.000 0.291 278 V C -0.203 175.936 176.094 0.075 0.000 1.018 278 V CA -1.247 61.196 62.300 0.237 0.000 0.842 278 V CB 1.457 33.389 31.823 0.182 0.000 0.996 278 V HN 0.632 nan 8.190 nan 0.000 0.426 279 R N 4.152 124.662 120.500 0.017 0.000 2.216 279 R HA 0.542 4.881 4.340 -0.001 0.000 0.332 279 R C -1.168 174.962 176.300 -0.283 0.000 1.056 279 R CA -0.309 55.675 56.100 -0.194 0.000 0.901 279 R CB 1.164 31.307 30.300 -0.261 0.000 1.039 279 R HN 0.524 nan 8.270 nan 0.000 0.456 280 V N 6.295 126.025 119.914 -0.307 0.000 2.334 280 V HA 0.151 4.270 4.120 -0.001 0.000 0.267 280 V C -0.509 175.404 176.094 -0.301 0.000 1.040 280 V CA -0.627 61.520 62.300 -0.255 0.000 0.866 280 V CB 0.610 32.322 31.823 -0.185 0.000 1.019 280 V HN 0.784 nan 8.190 nan 0.000 0.468 281 W N 5.245 126.356 121.300 -0.315 0.000 2.290 281 W HA 0.388 5.047 4.660 -0.001 0.000 0.408 281 W C 1.296 177.636 176.519 -0.299 0.000 0.966 281 W CA -0.362 56.773 57.345 -0.350 0.000 1.579 281 W CB 0.207 29.320 29.460 -0.578 0.000 1.662 281 W HN 0.557 nan 8.180 nan 0.000 0.341 282 I N 2.358 122.917 120.570 -0.017 0.000 2.208 282 I HA -0.389 3.781 4.170 -0.001 0.000 0.245 282 I C 2.511 178.629 176.117 0.003 0.000 1.097 282 I CA 1.686 62.973 61.300 -0.021 0.000 1.363 282 I CB -0.356 37.615 38.000 -0.049 0.000 1.051 282 I HN 0.535 nan 8.210 nan 0.000 0.413 283 A N -0.499 122.338 122.820 0.028 0.000 1.908 283 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 283 A C 2.478 180.052 177.584 -0.017 0.000 1.181 283 A CA 2.421 54.501 52.037 0.071 0.000 0.627 283 A CB -0.840 18.267 19.000 0.179 0.000 0.818 283 A HN 0.438 nan 8.150 nan 0.000 0.445 284 S N -0.653 114.793 115.700 -0.424 0.000 2.357 284 S HA 0.045 4.515 4.470 -0.001 0.000 0.221 284 S C 2.211 176.788 174.600 -0.039 0.000 1.031 284 S CA 1.402 59.327 58.200 -0.458 0.000 0.982 284 S CB -0.515 62.178 63.200 -0.845 0.000 0.853 284 S HN 0.848 nan 8.310 nan 0.000 0.458 285 A N 1.727 124.558 122.820 0.018 0.000 1.940 285 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 285 A C 1.880 179.669 177.584 0.342 0.000 1.176 285 A CA 1.865 54.018 52.037 0.193 0.000 0.631 285 A CB -1.139 17.928 19.000 0.112 0.000 0.814 285 A HN 0.790 nan 8.150 nan 0.000 0.446 286 N N -1.075 117.713 118.700 0.146 0.000 2.520 286 N HA -0.087 4.652 4.740 -0.001 0.000 0.185 286 N C 1.039 176.356 175.510 -0.322 0.000 1.068 286 N CA 0.355 53.331 53.050 -0.122 0.000 0.911 286 N CB 0.045 38.448 38.487 -0.140 0.000 0.961 286 N HN 0.267 nan 8.380 nan 0.000 0.446 287 R N 0.445 120.945 120.500 -0.001 0.000 2.397 287 R HA 0.078 4.418 4.340 -0.001 0.000 0.241 287 R C -0.342 176.059 176.300 0.168 0.000 0.914 287 R CA -0.096 56.028 56.100 0.039 0.000 1.071 287 R CB -0.298 30.063 30.300 0.101 0.000 1.116 287 R HN 0.150 nan 8.270 nan 0.000 0.524 288 D N 3.294 123.861 120.400 0.278 0.000 2.479 288 D HA -0.087 4.552 4.640 -0.001 0.000 0.257 288 D C 1.105 177.524 176.300 0.199 0.000 1.230 288 D CA 0.322 54.464 54.000 0.237 0.000 0.912 288 D CB 1.001 41.964 40.800 0.272 0.000 1.130 288 D HN 0.176 nan 8.370 nan 0.000 0.515 289 E N 3.638 123.905 120.200 0.112 0.000 2.204 289 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 289 E C 1.345 177.970 176.600 0.042 0.000 0.990 289 E CA 0.890 57.334 56.400 0.073 0.000 0.821 289 E CB -0.178 29.547 29.700 0.042 0.000 0.750 289 E HN 0.656 nan 8.360 nan 0.000 0.477 290 E N 0.549 120.754 120.200 0.008 0.000 2.077 290 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 290 E C 2.081 178.598 176.600 -0.139 0.000 0.989 290 E CA 1.410 57.784 56.400 -0.044 0.000 0.800 290 E CB 0.275 29.945 29.700 -0.050 0.000 0.746 290 E HN 0.122 nan 8.360 nan 0.000 0.452 291 V N -0.225 119.535 119.914 -0.256 0.000 2.599 291 V HA -0.024 4.095 4.120 -0.001 0.000 0.245 291 V C 0.197 175.862 176.094 -0.715 0.000 1.046 291 V CA 0.791 62.720 62.300 -0.618 0.000 1.065 291 V CB 0.019 31.153 31.823 -1.148 0.000 0.703 291 V HN 0.103 nan 8.190 nan 0.000 0.464 292 F N 0.602 120.484 119.950 -0.114 0.000 2.359 292 F HA 0.413 4.940 4.527 -0.001 0.000 0.370 292 F C 0.489 176.282 175.800 -0.011 0.000 1.077 292 F CA -0.794 57.170 58.000 -0.060 0.000 1.136 292 F CB -0.020 38.947 39.000 -0.053 0.000 1.387 292 F HN 0.064 nan 8.300 nan 0.000 0.468 293 H N 3.737 122.825 119.070 0.030 0.000 3.001 293 H HA -0.049 4.507 4.556 -0.001 0.000 0.334 293 H C 0.021 175.370 175.328 0.035 0.000 1.034 293 H CA 0.925 56.981 56.048 0.014 0.000 1.420 293 H CB 0.637 30.387 29.762 -0.021 0.000 1.405 293 H HN 0.657 nan 8.280 nan 0.000 0.593 294 D N 2.822 122.942 120.400 -0.466 0.000 2.708 294 D HA -0.140 4.499 4.640 -0.001 0.000 0.236 294 D C 1.392 177.635 176.300 -0.095 0.000 1.146 294 D CA 1.009 54.833 54.000 -0.293 0.000 0.662 294 D CB -1.360 39.275 40.800 -0.276 0.000 1.059 294 D HN 0.877 nan 8.370 nan 0.000 0.428 295 G N 0.810 109.596 108.800 -0.022 0.000 2.498 295 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 295 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 295 G C 1.277 176.188 174.900 0.018 0.000 1.119 295 G CA 0.887 46.009 45.100 0.036 0.000 0.766 295 G HN 0.504 nan 8.290 nan 0.000 0.552 296 E N 0.815 121.022 120.200 0.011 0.000 2.481 296 E HA 0.024 4.373 4.350 -0.001 0.000 0.195 296 E C 0.350 177.016 176.600 0.109 0.000 1.047 296 E CA 0.263 56.694 56.400 0.051 0.000 0.867 296 E CB -0.005 29.709 29.700 0.023 0.000 0.858 296 E HN 0.250 nan 8.360 nan 0.000 0.513 297 K N 0.557 120.957 120.400 -0.001 0.000 2.138 297 K HA 0.299 4.618 4.320 -0.001 0.000 0.263 297 K C -0.977 175.447 176.600 -0.294 0.000 0.965 297 K CA -0.881 55.329 56.287 -0.129 0.000 0.868 297 K CB 1.289 33.706 32.500 -0.139 0.000 1.083 297 K HN -0.055 nan 8.250 nan 0.000 0.443 298 F N 3.944 123.426 119.950 -0.781 0.000 2.405 298 F HA 0.290 4.817 4.527 -0.001 0.000 0.358 298 F C -0.406 175.068 175.800 -0.543 0.000 1.151 298 F CA -0.517 56.932 58.000 -0.919 0.000 1.161 298 F CB 0.176 38.204 39.000 -1.619 0.000 1.245 298 F HN 0.331 nan 8.300 nan 0.000 0.545 299 I N 9.664 129.951 120.570 -0.472 0.000 2.337 299 I HA 0.220 4.389 4.170 -0.001 0.000 0.285 299 I C -1.386 174.563 176.117 -0.279 0.000 1.041 299 I CA -1.884 59.265 61.300 -0.253 0.000 1.199 299 I CB 1.324 39.220 38.000 -0.172 0.000 1.370 299 I HN 0.455 nan 8.210 nan 0.000 0.470 300 P HA -0.190 nan 4.420 nan 0.000 0.217 300 P C 0.410 177.653 177.300 -0.094 0.000 1.148 300 P CA 1.492 64.559 63.100 -0.055 0.000 0.828 300 P CB 0.031 31.726 31.700 -0.009 0.000 0.783 301 D N -1.640 118.708 120.400 -0.086 0.000 2.525 301 D HA 0.033 4.672 4.640 -0.001 0.000 0.229 301 D C 0.557 176.828 176.300 -0.048 0.000 1.202 301 D CA -0.694 53.270 54.000 -0.061 0.000 0.828 301 D CB -0.805 39.963 40.800 -0.053 0.000 1.008 301 D HN 0.047 nan 8.370 nan 0.000 0.493 302 R N 0.739 121.199 120.500 -0.068 0.000 2.538 302 R HA 0.178 4.517 4.340 -0.001 0.000 0.282 302 R C -0.896 175.405 176.300 0.002 0.000 1.009 302 R CA 0.122 56.200 56.100 -0.036 0.000 1.063 302 R CB 0.145 30.413 30.300 -0.054 0.000 0.945 302 R HN 0.047 nan 8.270 nan 0.000 0.414 303 N N 4.057 122.764 118.700 0.011 0.000 2.554 303 N HA 0.305 5.044 4.740 -0.001 0.000 0.271 303 N C -2.612 172.901 175.510 0.004 0.000 1.081 303 N CA -1.103 51.957 53.050 0.017 0.000 0.994 303 N CB 1.286 39.779 38.487 0.009 0.000 1.641 303 N HN 0.446 nan 8.380 nan 0.000 0.511 304 P HA 0.401 nan 4.420 nan 0.000 0.286 304 P C -1.080 176.257 177.300 0.060 0.000 1.293 304 P CA -0.280 62.832 63.100 0.021 0.000 0.770 304 P CB 0.561 32.260 31.700 -0.003 0.000 1.206 305 N N 0.444 119.205 118.700 0.103 0.000 2.710 305 N HA 0.159 4.898 4.740 -0.001 0.000 0.244 305 N C -2.629 173.012 175.510 0.217 0.000 1.321 305 N CA -1.310 51.882 53.050 0.237 0.000 0.758 305 N CB 0.694 39.317 38.487 0.227 0.000 1.284 305 N HN 0.158 nan 8.380 nan 0.000 0.530 306 P HA 0.105 nan 4.420 nan 0.000 0.220 306 P C 0.088 177.625 177.300 0.395 0.000 1.778 306 P CA -0.123 63.071 63.100 0.158 0.000 0.912 306 P CB -0.892 30.854 31.700 0.077 0.000 1.861 307 H N -0.251 119.095 119.070 0.459 0.000 2.745 307 H HA 0.159 4.714 4.556 -0.001 0.000 0.373 307 H C 0.059 175.551 175.328 0.273 0.000 1.226 307 H CA -0.498 55.772 56.048 0.371 0.000 1.435 307 H CB 1.162 30.974 29.762 0.083 0.000 1.461 307 H HN 0.108 nan 8.280 nan 0.000 0.616 308 L N 1.659 123.103 121.223 0.367 0.000 2.872 308 L HA 0.090 4.429 4.340 -0.001 0.000 0.245 308 L C 1.524 178.500 176.870 0.177 0.000 1.211 308 L CA -0.191 54.769 54.840 0.199 0.000 1.013 308 L CB 0.295 42.382 42.059 0.046 0.000 1.326 308 L HN 0.561 nan 8.230 nan 0.000 0.525 309 S N 0.033 115.892 115.700 0.265 0.000 2.447 309 S HA -0.011 4.458 4.470 -0.001 0.000 0.233 309 S C 1.307 175.805 174.600 -0.170 0.000 1.006 309 S CA 1.300 59.446 58.200 -0.091 0.000 0.957 309 S CB -0.111 62.839 63.200 -0.417 0.000 0.773 309 S HN 0.432 nan 8.310 nan 0.000 0.507 310 F N 1.050 121.107 119.950 0.179 0.000 2.653 310 F HA 0.376 4.903 4.527 -0.001 0.000 0.304 310 F C 1.541 177.409 175.800 0.113 0.000 1.092 310 F CA 0.026 58.106 58.000 0.134 0.000 1.279 310 F CB 0.367 39.462 39.000 0.157 0.000 1.044 310 F HN 0.321 nan 8.300 nan 0.000 0.564 311 G N 0.629 109.566 108.800 0.228 0.000 2.545 311 G HA2 0.004 3.963 3.960 -0.001 0.000 0.216 311 G HA3 0.004 3.963 3.960 -0.001 0.000 0.216 311 G C -0.589 174.392 174.900 0.136 0.000 1.314 311 G CA -0.292 44.900 45.100 0.154 0.000 0.906 311 G HN 0.433 nan 8.290 nan 0.000 0.563 312 S N -1.360 114.406 115.700 0.110 0.000 2.565 312 S HA 0.764 5.234 4.470 -0.001 0.000 0.274 312 S C 0.482 175.138 174.600 0.094 0.000 1.144 312 S CA 1.304 59.553 58.200 0.082 0.000 0.849 312 S CB 0.869 64.081 63.200 0.020 0.000 1.103 312 S HN 3.123 nan 8.310 nan 0.000 0.455 313 G N 2.669 111.522 108.800 0.088 0.000 2.527 313 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.227 313 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.227 313 G C 0.804 175.741 174.900 0.062 0.000 1.291 313 G CA 0.148 45.309 45.100 0.102 0.000 0.904 313 G HN 1.804 nan 8.290 nan 0.000 0.577 314 I N -2.564 118.000 120.570 -0.011 0.000 2.614 314 I HA 0.042 4.211 4.170 -0.001 0.000 0.258 314 I C 1.712 177.686 176.117 -0.237 0.000 1.189 314 I CA 1.977 63.164 61.300 -0.188 0.000 1.462 314 I CB -0.297 37.394 38.000 -0.516 0.000 1.092 314 I HN 0.477 nan 8.210 nan 0.000 0.442 315 H N 1.635 120.675 119.070 -0.050 0.000 2.529 315 H HA 0.359 4.915 4.556 -0.001 0.000 0.277 315 H C 0.828 176.220 175.328 0.107 0.000 1.004 315 H CA -0.408 55.658 56.048 0.031 0.000 1.167 315 H CB 0.271 30.029 29.762 -0.007 0.000 1.445 315 H HN 0.300 nan 8.280 nan 0.000 0.554 316 L N 2.015 123.347 121.223 0.181 0.000 2.706 316 L HA -0.132 4.208 4.340 -0.001 0.000 0.282 316 L C 0.591 177.565 176.870 0.174 0.000 1.219 316 L CA 0.300 55.242 54.840 0.171 0.000 0.935 316 L CB 0.084 42.212 42.059 0.116 0.000 1.204 316 L HN 0.382 nan 8.230 nan 0.000 0.491 317 C N 6.134 125.564 119.300 0.217 0.000 1.986 317 C HA -0.141 4.319 4.460 -0.001 0.000 0.404 317 C C 1.946 177.000 174.990 0.107 0.000 1.551 317 C CA -0.079 59.059 59.018 0.200 0.000 1.457 317 C CB -0.890 27.021 27.740 0.285 0.000 2.639 317 C HN 0.903 nan 8.230 nan 0.000 0.590 318 L N 5.307 126.626 121.223 0.161 0.000 2.201 318 L HA 0.052 4.391 4.340 -0.001 0.000 0.212 318 L C 2.188 179.240 176.870 0.303 0.000 1.105 318 L CA 2.082 57.034 54.840 0.187 0.000 0.775 318 L CB -0.578 41.590 42.059 0.182 0.000 0.913 318 L HN 1.006 nan 8.230 nan 0.000 0.440 319 G N -2.003 106.930 108.800 0.223 0.000 3.141 319 G HA2 0.105 4.065 3.960 -0.001 0.000 0.218 319 G HA3 0.105 4.065 3.960 -0.001 0.000 0.218 319 G C 1.541 176.320 174.900 -0.202 0.000 1.170 319 G CA 0.509 45.630 45.100 0.035 0.000 0.769 319 G HN 0.468 nan 8.290 nan 0.000 0.546 320 A N 2.516 125.135 122.820 -0.336 0.000 1.884 320 A HA -0.076 4.243 4.320 -0.001 0.000 0.219 320 A C 0.920 178.235 177.584 -0.447 0.000 1.197 320 A CA 2.022 53.539 52.037 -0.867 0.000 0.637 320 A CB -1.120 17.206 19.000 -1.122 0.000 0.827 320 A HN 0.376 nan 8.150 nan 0.000 0.450 321 P HA -0.136 nan 4.420 nan 0.000 0.217 321 P C 1.779 179.013 177.300 -0.110 0.000 1.150 321 P CA 0.842 63.882 63.100 -0.100 0.000 0.832 321 P CB -0.169 31.529 31.700 -0.003 0.000 0.787 322 L N -0.654 120.421 121.223 -0.247 0.000 2.044 322 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 322 L C 2.455 179.229 176.870 -0.160 0.000 1.075 322 L CA 1.806 56.457 54.840 -0.316 0.000 0.747 322 L CB -0.929 40.634 42.059 -0.827 0.000 0.903 322 L HN -0.059 nan 8.230 nan 0.000 0.435 323 A N 0.034 122.780 122.820 -0.124 0.000 1.908 323 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 323 A C 2.257 179.903 177.584 0.103 0.000 1.181 323 A CA 1.670 53.730 52.037 0.039 0.000 0.627 323 A CB -0.533 18.581 19.000 0.189 0.000 0.818 323 A HN 0.413 nan 8.150 nan 0.000 0.445 324 R N -1.317 119.246 120.500 0.104 0.000 2.081 324 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 324 R C 2.152 178.510 176.300 0.096 0.000 1.131 324 R CA 1.463 57.650 56.100 0.145 0.000 0.960 324 R CB -0.535 29.844 30.300 0.132 0.000 0.856 324 R HN 0.500 nan 8.270 nan 0.000 0.436 325 L N 1.563 122.815 121.223 0.048 0.000 2.017 325 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 325 L C 1.795 178.691 176.870 0.044 0.000 1.073 325 L CA 1.828 56.695 54.840 0.044 0.000 0.745 325 L CB -0.356 41.718 42.059 0.026 0.000 0.894 325 L HN 0.122 nan 8.230 nan 0.000 0.432 326 E N -0.365 119.855 120.200 0.034 0.000 2.058 326 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 326 E C 2.158 178.789 176.600 0.052 0.000 0.997 326 E CA 1.289 57.711 56.400 0.036 0.000 0.801 326 E CB -0.373 29.343 29.700 0.026 0.000 0.746 326 E HN 0.658 nan 8.360 nan 0.000 0.450 327 A N 1.418 124.282 122.820 0.073 0.000 1.902 327 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 327 A C 2.103 179.759 177.584 0.119 0.000 1.181 327 A CA 1.657 53.749 52.037 0.093 0.000 0.623 327 A CB -0.472 18.595 19.000 0.111 0.000 0.818 327 A HN 0.089 nan 8.150 nan 0.000 0.443 328 R N -0.287 120.283 120.500 0.117 0.000 2.073 328 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 328 R C 1.941 178.259 176.300 0.031 0.000 1.134 328 R CA 1.809 57.975 56.100 0.111 0.000 0.952 328 R CB -0.393 29.966 30.300 0.098 0.000 0.850 328 R HN 0.544 nan 8.270 nan 0.000 0.433 329 I N 0.633 121.216 120.570 0.020 0.000 2.286 329 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 329 I C 2.527 178.657 176.117 0.021 0.000 1.115 329 I CA 1.122 62.417 61.300 -0.009 0.000 1.392 329 I CB -0.393 37.607 38.000 0.001 0.000 1.065 329 I HN 0.331 nan 8.210 nan 0.000 0.418 330 A N 1.343 124.196 122.820 0.055 0.000 1.858 330 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 330 A C 2.211 179.901 177.584 0.178 0.000 1.190 330 A CA 1.465 53.551 52.037 0.082 0.000 0.617 330 A CB -0.597 18.434 19.000 0.051 0.000 0.827 330 A HN 0.288 nan 8.150 nan 0.000 0.443 331 I N 0.060 120.768 120.570 0.229 0.000 2.315 331 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 331 I C 2.301 178.654 176.117 0.393 0.000 1.117 331 I CA 1.365 62.936 61.300 0.451 0.000 1.404 331 I CB -1.635 36.691 38.000 0.542 0.000 1.071 331 I HN 0.474 nan 8.210 nan 0.000 0.419 332 E N 0.599 120.798 120.200 -0.001 0.000 2.017 332 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 332 E C 2.056 178.637 176.600 -0.032 0.000 0.997 332 E CA 1.049 57.254 56.400 -0.326 0.000 0.804 332 E CB 0.012 29.405 29.700 -0.511 0.000 0.757 332 E HN 0.355 nan 8.360 nan 0.000 0.448 333 E N 0.333 120.547 120.200 0.023 0.000 2.118 333 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 333 E C 1.826 178.505 176.600 0.131 0.000 0.992 333 E CA 0.798 57.231 56.400 0.055 0.000 0.804 333 E CB -0.362 29.371 29.700 0.054 0.000 0.741 333 E HN 0.281 nan 8.360 nan 0.000 0.458 334 F N 2.000 121.991 119.950 0.068 0.000 2.084 334 F HA -0.257 4.269 4.527 -0.001 0.000 0.296 334 F C 2.657 178.439 175.800 -0.031 0.000 1.111 334 F CA 1.837 59.907 58.000 0.116 0.000 1.224 334 F CB -0.136 39.010 39.000 0.243 0.000 0.991 334 F HN 0.051 nan 8.300 nan 0.000 0.471 335 S N -0.097 115.606 115.700 0.005 0.000 2.400 335 S HA -0.245 4.225 4.470 -0.001 0.000 0.232 335 S C 1.836 176.122 174.600 -0.523 0.000 1.025 335 S CA 1.358 59.294 58.200 -0.440 0.000 0.993 335 S CB -0.700 62.676 63.200 0.293 0.000 0.808 335 S HN 0.472 nan 8.310 nan 0.000 0.478 336 K N 0.160 120.426 120.400 -0.222 0.000 2.432 336 K HA 0.183 4.502 4.320 -0.001 0.000 0.196 336 K C 2.216 178.690 176.600 -0.210 0.000 1.038 336 K CA 0.186 56.368 56.287 -0.174 0.000 0.986 336 K CB 0.031 32.487 32.500 -0.073 0.000 0.782 336 K HN 0.245 nan 8.250 nan 0.000 0.485 337 R N 0.156 120.494 120.500 -0.270 0.000 2.189 337 R HA 0.065 4.404 4.340 -0.001 0.000 0.203 337 R C 0.562 176.749 176.300 -0.189 0.000 1.012 337 R CA 0.414 56.405 56.100 -0.182 0.000 1.015 337 R CB 0.253 30.497 30.300 -0.095 0.000 0.938 337 R HN 0.087 nan 8.270 nan 0.000 0.472 338 F N -1.395 118.333 119.950 -0.369 0.000 2.546 338 F HA 0.491 5.017 4.527 -0.001 0.000 0.320 338 F C 0.898 176.531 175.800 -0.278 0.000 1.076 338 F CA -1.271 56.514 58.000 -0.359 0.000 0.928 338 F CB 1.103 39.769 39.000 -0.557 0.000 1.189 338 F HN -0.334 nan 8.300 nan 0.000 0.465 339 R N -0.135 120.406 120.500 0.068 0.000 2.156 339 R HA 0.124 4.464 4.340 -0.001 0.000 0.207 339 R C -0.089 176.353 176.300 0.236 0.000 1.040 339 R CA 0.373 56.500 56.100 0.044 0.000 1.013 339 R CB -0.059 30.265 30.300 0.041 0.000 0.931 339 R HN 0.714 nan 8.270 nan 0.000 0.465 340 H N 0.112 119.320 119.070 0.230 0.000 2.974 340 H HA 0.428 4.983 4.556 -0.001 0.000 0.366 340 H C -1.706 173.483 175.328 -0.232 0.000 1.155 340 H CA -0.841 55.255 56.048 0.079 0.000 1.186 340 H CB 2.188 31.950 29.762 0.000 0.000 1.799 340 H HN 0.022 nan 8.280 nan 0.000 0.541 341 I N 2.901 122.801 120.570 -1.116 0.000 2.689 341 I HA 0.392 4.561 4.170 -0.001 0.000 0.299 341 I C -1.299 174.312 176.117 -0.843 0.000 1.059 341 I CA -0.553 60.080 61.300 -1.113 0.000 1.055 341 I CB 2.159 39.208 38.000 -1.585 0.000 1.243 341 I HN 0.743 nan 8.210 nan 0.000 0.425 342 E N 7.408 127.363 120.200 -0.408 0.000 2.278 342 E HA 0.335 4.685 4.350 -0.001 0.000 0.272 342 E C -1.719 174.804 176.600 -0.129 0.000 0.890 342 E CA -0.764 55.534 56.400 -0.169 0.000 0.770 342 E CB 1.557 31.289 29.700 0.053 0.000 1.212 342 E HN 0.502 nan 8.360 nan 0.000 0.415 343 I N 6.767 127.274 120.570 -0.105 0.000 2.322 343 I HA 0.085 4.254 4.170 -0.001 0.000 0.292 343 I C 1.027 177.104 176.117 -0.067 0.000 1.060 343 I CA 0.080 61.321 61.300 -0.098 0.000 1.309 343 I CB 0.456 38.388 38.000 -0.114 0.000 1.415 343 I HN 0.799 nan 8.210 nan 0.000 0.492 344 L N 3.814 125.002 121.223 -0.058 0.000 2.221 344 L HA 0.180 4.520 4.340 -0.001 0.000 0.202 344 L C 0.337 177.187 176.870 -0.033 0.000 1.074 344 L CA 0.797 55.614 54.840 -0.038 0.000 0.795 344 L CB -0.009 42.031 42.059 -0.032 0.000 0.960 344 L HN 0.545 nan 8.230 nan 0.000 0.458 345 D N -0.809 119.568 120.400 -0.039 0.000 2.803 345 D HA 0.367 5.006 4.640 -0.001 0.000 0.218 345 D C -0.971 175.313 176.300 -0.027 0.000 1.245 345 D CA -0.255 53.731 54.000 -0.024 0.000 0.821 345 D CB 1.906 42.698 40.800 -0.013 0.000 1.626 345 D HN 0.030 nan 8.370 nan 0.000 0.487 346 T N -0.214 114.341 114.554 0.002 0.000 2.896 346 T HA 0.742 5.091 4.350 -0.001 0.000 0.297 346 T C -0.942 173.821 174.700 0.105 0.000 1.108 346 T CA -0.856 61.270 62.100 0.044 0.000 1.004 346 T CB 1.973 70.860 68.868 0.033 0.000 1.159 346 T HN 0.289 nan 8.240 nan 0.000 0.499 347 E N 0.868 121.168 120.200 0.167 0.000 2.281 347 E HA 0.301 4.651 4.350 -0.001 0.000 0.266 347 E C -1.193 175.479 176.600 0.121 0.000 0.893 347 E CA -0.628 55.840 56.400 0.114 0.000 0.798 347 E CB 1.790 31.527 29.700 0.063 0.000 1.245 347 E HN 0.534 nan 8.360 nan 0.000 0.410 348 K N 2.195 122.609 120.400 0.024 0.000 2.174 348 K HA 0.263 4.583 4.320 -0.001 0.000 0.275 348 K C 0.030 176.570 176.600 -0.101 0.000 1.015 348 K CA -0.587 55.612 56.287 -0.147 0.000 0.933 348 K CB 1.267 33.628 32.500 -0.231 0.000 1.025 348 K HN 0.371 nan 8.250 nan 0.000 0.463 349 V N 1.757 121.594 119.914 -0.127 0.000 2.655 349 V HA 0.144 4.263 4.120 -0.001 0.000 0.300 349 V C -1.983 174.073 176.094 -0.063 0.000 1.044 349 V CA -1.396 60.863 62.300 -0.069 0.000 1.095 349 V CB 0.110 31.897 31.823 -0.059 0.000 0.952 349 V HN 0.692 nan 8.190 nan 0.000 0.485 350 P HA 0.350 nan 4.420 nan 0.000 0.251 350 P C -0.680 176.611 177.300 -0.015 0.000 1.718 350 P CA 0.152 63.237 63.100 -0.025 0.000 1.119 350 P CB 0.099 31.791 31.700 -0.014 0.000 1.762 351 N N 2.069 120.758 118.700 -0.018 0.000 2.446 351 N HA 0.062 4.801 4.740 -0.001 0.000 0.272 351 N C 0.371 175.883 175.510 0.005 0.000 1.127 351 N CA -0.326 52.721 53.050 -0.004 0.000 0.896 351 N CB 2.014 40.499 38.487 -0.003 0.000 1.658 351 N HN 0.049 nan 8.380 nan 0.000 0.483 352 E N 1.306 121.519 120.200 0.022 0.000 2.474 352 E HA 0.072 4.421 4.350 -0.001 0.000 0.194 352 E C 1.138 177.765 176.600 0.045 0.000 1.041 352 E CA 0.496 56.932 56.400 0.060 0.000 0.874 352 E CB 0.813 30.566 29.700 0.089 0.000 0.914 352 E HN 0.312 nan 8.360 nan 0.000 0.498 353 V N 0.627 120.540 119.914 -0.001 0.000 2.854 353 V HA 0.098 4.217 4.120 -0.001 0.000 0.236 353 V C 1.110 177.168 176.094 -0.060 0.000 1.157 353 V CA 0.229 62.503 62.300 -0.043 0.000 1.187 353 V CB 0.226 32.029 31.823 -0.033 0.000 0.949 353 V HN 0.100 nan 8.190 nan 0.000 0.488 354 L N 2.534 123.738 121.223 -0.032 0.000 2.281 354 L HA 0.332 4.672 4.340 -0.001 0.000 0.285 354 L C 0.129 176.967 176.870 -0.053 0.000 1.074 354 L CA 0.375 55.187 54.840 -0.046 0.000 0.817 354 L CB 0.308 42.367 42.059 0.000 0.000 1.168 354 L HN 0.344 nan 8.230 nan 0.000 0.434 355 N N 3.114 121.772 118.700 -0.069 0.000 2.511 355 N HA 0.600 5.339 4.740 -0.001 0.000 0.249 355 N C -0.491 174.954 175.510 -0.108 0.000 0.971 355 N CA -0.157 52.845 53.050 -0.079 0.000 0.938 355 N CB 1.230 39.696 38.487 -0.035 0.000 1.131 355 N HN 0.773 nan 8.380 nan 0.000 0.505 356 G N 1.954 110.635 108.800 -0.198 0.000 2.490 356 G HA2 0.272 4.231 3.960 -0.001 0.000 0.308 356 G HA3 0.272 4.231 3.960 -0.001 0.000 0.308 356 G C -2.291 172.335 174.900 -0.457 0.000 1.286 356 G CA -0.483 44.491 45.100 -0.210 0.000 0.825 356 G HN 0.387 nan 8.290 nan 0.000 0.479 357 Y N 0.124 120.414 120.300 -0.018 0.000 2.393 357 Y HA 0.580 5.130 4.550 -0.001 0.000 0.341 357 Y C 1.382 177.271 175.900 -0.018 0.000 0.988 357 Y CA -0.693 57.395 58.100 -0.019 0.000 1.078 357 Y CB 2.734 41.176 38.460 -0.029 0.000 1.203 357 Y HN 0.596 nan 8.280 nan 0.000 0.453 358 K N 1.633 122.095 120.400 0.103 0.000 2.211 358 K HA 0.238 4.558 4.320 -0.001 0.000 0.201 358 K C -0.168 176.472 176.600 0.068 0.000 1.052 358 K CA 0.835 57.157 56.287 0.059 0.000 0.973 358 K CB 0.422 32.940 32.500 0.030 0.000 0.766 358 K HN 0.661 nan 8.250 nan 0.000 0.466 359 R N 0.272 120.832 120.500 0.099 0.000 2.604 359 R HA 0.356 4.696 4.340 -0.001 0.000 0.281 359 R C -1.788 174.542 176.300 0.050 0.000 1.020 359 R CA -0.807 55.327 56.100 0.057 0.000 0.899 359 R CB 1.825 32.147 30.300 0.037 0.000 1.205 359 R HN -0.061 nan 8.270 nan 0.000 0.450 360 L N 3.169 124.383 121.223 -0.015 0.000 2.489 360 L HA 0.297 4.636 4.340 -0.001 0.000 0.257 360 L C -1.247 175.576 176.870 -0.078 0.000 1.215 360 L CA -0.421 54.364 54.840 -0.093 0.000 0.915 360 L CB 1.910 43.874 42.059 -0.159 0.000 1.146 360 L HN 0.355 nan 8.230 nan 0.000 0.494 361 V N 3.866 123.744 119.914 -0.060 0.000 2.455 361 V HA 0.592 4.711 4.120 -0.001 0.000 0.273 361 V C 0.265 176.322 176.094 -0.062 0.000 1.045 361 V CA -0.348 61.923 62.300 -0.048 0.000 0.976 361 V CB 1.215 33.019 31.823 -0.031 0.000 0.993 361 V HN 0.442 nan 8.190 nan 0.000 0.475 362 V N 2.939 122.818 119.914 -0.059 0.000 3.102 362 V HA 0.792 4.911 4.120 -0.001 0.000 0.312 362 V C -0.591 175.462 176.094 -0.068 0.000 1.135 362 V CA -1.250 61.003 62.300 -0.077 0.000 1.022 362 V CB 2.196 33.963 31.823 -0.093 0.000 1.056 362 V HN 0.874 nan 8.190 nan 0.000 0.436 363 R N 1.846 122.293 120.500 -0.088 0.000 2.439 363 R HA 0.786 5.125 4.340 -0.001 0.000 0.310 363 R C -1.715 174.519 176.300 -0.110 0.000 0.955 363 R CA -0.667 55.393 56.100 -0.067 0.000 0.853 363 R CB 1.550 31.831 30.300 -0.031 0.000 1.171 363 R HN 0.915 nan 8.270 nan 0.000 0.449 364 L N 3.220 124.379 121.223 -0.108 0.000 2.334 364 L HA 0.548 4.888 4.340 -0.001 0.000 0.273 364 L C -0.494 176.350 176.870 -0.043 0.000 1.013 364 L CA -1.138 53.610 54.840 -0.153 0.000 0.816 364 L CB 1.920 43.860 42.059 -0.199 0.000 1.278 364 L HN 0.515 nan 8.230 nan 0.000 0.431 365 K N 1.686 122.090 120.400 0.006 0.000 2.404 365 K HA 0.297 4.616 4.320 -0.001 0.000 0.257 365 K C -0.064 176.562 176.600 0.043 0.000 1.026 365 K CA -0.274 56.035 56.287 0.036 0.000 0.951 365 K CB 1.228 33.767 32.500 0.065 0.000 1.203 365 K HN 0.630 nan 8.250 nan 0.000 0.446 366 S N 0.000 115.708 115.700 0.013 0.000 2.498 366 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 366 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 366 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 366 S HN 0.000 nan 8.310 nan 0.000 0.517