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 1gai_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATLDSWLSNE ATVARTAILN NIGADGAWVS GADSGIVVAS PSTDNPDYFY DATA SEQUENCE TWTRDSGLVI KTLVDLFRNG DTDLLSTIEH YISSQAIIQG VSNPSGDLSS DATA SEQUENCE GXGLGEPKFN VDETAYTGSW GRPQRDGPAL RATAMIGFGQ WLLDNGYTSA DATA SEQUENCE ATEIVWPLVR NDLSYVAQYW NQTGYDLWEE VNGSSFFTIA VQHRALVEGS DATA SEQUENCE AFATAVGSSC SWCDSQAPQI LcYLQSFWTG SYILANFDSS RSGKDTNTLL DATA SEQUENCE GSIHTFDPEA GcDDSTFQPc SPRALANHKE VVDSFRSIYT LNDGLSDSEA DATA SEQUENCE VAVGRYPEDS YYNGNPWFLC TLAAAEQLYD ALYQWDKQGS LEITDVSLDF DATA SEQUENCE FKALYSGAAT GTYSSSSSTY SSIVSAVKTF ADGFVSIVET HAASNGSLSE DATA SEQUENCE QFDKSDGDEL SARDLTWSYA ALLTANNRRN SVVPPSWGET SASSVPGTcA DATA SEQUENCE ATSASGTYSS VTVTSWPSIV ATG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.622 177.584 0.063 0.000 1.274 1 A CA 0.000 52.068 52.037 0.051 0.000 0.836 1 A CB 0.000 19.031 19.000 0.051 0.000 0.831 2 T N 0.229 114.818 114.554 0.059 0.000 2.951 2 T HA -0.006 nan 4.350 nan 0.000 0.268 2 T C 1.713 176.491 174.700 0.131 0.000 1.073 2 T CA 2.379 64.526 62.100 0.078 0.000 1.134 2 T CB -0.326 68.569 68.868 0.045 0.000 0.884 2 T HN -0.116 8.151 8.240 0.043 0.000 0.479 3 L N 1.325 122.616 121.223 0.112 0.000 2.046 3 L HA -0.078 nan 4.340 nan 0.000 0.208 3 L C 1.211 178.214 176.870 0.221 0.000 1.077 3 L CA 2.860 57.802 54.840 0.171 0.000 0.747 3 L CB -0.897 41.236 42.059 0.123 0.000 0.896 3 L HN -0.170 8.092 8.230 0.077 0.014 0.432 4 D N -3.075 117.410 120.400 0.141 0.000 2.097 4 D HA -0.288 nan 4.640 nan 0.000 0.195 4 D C 2.612 178.971 176.300 0.098 0.000 0.989 4 D CA 4.264 58.328 54.000 0.106 0.000 0.827 4 D CB -0.522 40.321 40.800 0.071 0.000 0.966 4 D HN 0.360 8.799 8.370 0.114 0.000 0.456 5 S N 0.331 116.095 115.700 0.107 0.000 2.371 5 S HA -0.261 nan 4.470 nan 0.000 0.224 5 S C 1.707 176.367 174.600 0.100 0.000 1.029 5 S CA 2.877 61.127 58.200 0.083 0.000 0.978 5 S CB -0.258 62.989 63.200 0.078 0.000 0.833 5 S HN -0.597 7.780 8.310 0.112 0.000 0.466 6 W N 3.206 124.509 121.300 0.005 0.000 2.338 6 W HA -0.295 nan 4.660 nan 0.000 0.304 6 W C 1.302 177.826 176.519 0.009 0.000 1.212 6 W CA 4.338 61.685 57.345 0.003 0.000 1.264 6 W CB 0.172 29.633 29.460 0.000 0.000 1.142 6 W HN 0.119 8.382 8.180 0.317 0.107 0.512 7 L N -2.280 118.979 121.223 0.061 0.000 2.046 7 L HA -0.620 nan 4.340 nan 0.000 0.208 7 L C 2.480 179.228 176.870 -0.203 0.000 1.077 7 L CA 3.504 58.269 54.840 -0.125 0.000 0.747 7 L CB -0.465 41.642 42.059 0.081 0.000 0.896 7 L HN 0.445 8.850 8.230 0.292 0.000 0.432 8 S N -0.508 115.124 115.700 -0.113 0.000 2.368 8 S HA -0.336 nan 4.470 nan 0.000 0.225 8 S C 2.434 176.940 174.600 -0.157 0.000 1.030 8 S CA 3.858 61.996 58.200 -0.104 0.000 0.999 8 S CB -0.557 62.612 63.200 -0.052 0.000 0.844 8 S HN -0.286 7.997 8.310 -0.046 0.000 0.459 9 N N 1.309 119.888 118.700 -0.202 0.000 2.142 9 N HA -0.207 nan 4.740 nan 0.000 0.186 9 N C 2.212 177.534 175.510 -0.314 0.000 1.023 9 N CA 2.707 55.626 53.050 -0.219 0.000 0.852 9 N CB -0.167 38.205 38.487 -0.190 0.000 0.998 9 N HN -0.414 7.852 8.380 -0.189 0.000 0.424 10 E N 1.034 120.905 120.200 -0.547 0.000 2.150 10 E HA -0.213 nan 4.350 nan 0.000 0.193 10 E C 1.757 178.167 176.600 -0.317 0.000 0.985 10 E CA 2.586 58.629 56.400 -0.597 0.000 0.814 10 E CB -0.348 28.611 29.700 -1.236 0.000 0.752 10 E HN 0.244 8.200 8.360 -0.673 0.000 0.466 11 A N -2.161 120.509 122.820 -0.250 0.000 1.933 11 A HA -0.213 nan 4.320 nan 0.000 0.218 11 A C 2.152 179.663 177.584 -0.121 0.000 1.175 11 A CA 3.457 55.412 52.037 -0.136 0.000 0.628 11 A CB -0.855 18.084 19.000 -0.101 0.000 0.814 11 A HN 0.213 8.194 8.150 -0.282 0.000 0.444 12 T N 2.138 116.609 114.554 -0.138 0.000 2.812 12 T HA -0.211 nan 4.350 nan 0.000 0.264 12 T C 1.965 176.579 174.700 -0.144 0.000 1.042 12 T CA 4.449 66.475 62.100 -0.124 0.000 1.140 12 T CB -0.345 68.455 68.868 -0.112 0.000 0.870 12 T HN -0.605 7.440 8.240 -0.159 0.100 0.445 13 V N 1.632 121.452 119.914 -0.156 0.000 2.343 13 V HA -0.400 nan 4.120 nan 0.000 0.247 13 V C 1.441 177.393 176.094 -0.235 0.000 1.051 13 V CA 4.296 66.499 62.300 -0.162 0.000 1.036 13 V CB -1.115 30.636 31.823 -0.118 0.000 0.654 13 V HN -0.225 7.795 8.190 -0.171 0.068 0.451 14 A N -1.044 121.675 122.820 -0.168 0.000 1.902 14 A HA -0.356 nan 4.320 nan 0.000 0.217 14 A C 1.654 179.108 177.584 -0.216 0.000 1.181 14 A CA 3.435 55.381 52.037 -0.152 0.000 0.623 14 A CB -0.757 18.299 19.000 0.092 0.000 0.818 14 A HN 0.465 8.434 8.150 -0.126 0.106 0.443 15 R N -2.130 118.279 120.500 -0.151 0.000 2.081 15 R HA -0.348 nan 4.340 nan 0.000 0.235 15 R C 2.126 178.303 176.300 -0.205 0.000 1.131 15 R CA 3.747 59.763 56.100 -0.140 0.000 0.960 15 R CB 0.008 30.243 30.300 -0.109 0.000 0.856 15 R HN -0.302 7.891 8.270 -0.128 0.000 0.436 16 T N 1.244 115.652 114.554 -0.242 0.000 2.708 16 T HA -0.270 nan 4.350 nan 0.000 0.266 16 T C 1.852 176.294 174.700 -0.430 0.000 1.037 16 T CA 4.425 66.349 62.100 -0.293 0.000 1.146 16 T CB -0.512 68.200 68.868 -0.261 0.000 0.865 16 T HN -0.497 7.611 8.240 -0.219 0.000 0.435 17 A N 1.397 123.898 122.820 -0.531 0.000 1.902 17 A HA -0.263 nan 4.320 nan 0.000 0.217 17 A C 1.878 179.207 177.584 -0.425 0.000 1.181 17 A CA 3.094 54.727 52.037 -0.674 0.000 0.623 17 A CB -0.889 17.460 19.000 -1.084 0.000 0.818 17 A HN -0.045 7.803 8.150 -0.503 0.000 0.443 18 I N -1.836 118.551 120.570 -0.304 0.000 2.179 18 I HA -0.539 nan 4.170 nan 0.000 0.242 18 I C 2.397 178.441 176.117 -0.121 0.000 1.088 18 I CA 3.885 65.128 61.300 -0.096 0.000 1.357 18 I CB -0.075 37.900 38.000 -0.042 0.000 1.051 18 I HN -0.322 7.672 8.210 -0.359 0.000 0.409 19 L N -0.899 120.209 121.223 -0.191 0.000 2.131 19 L HA -0.416 nan 4.340 nan 0.000 0.210 19 L C 2.353 179.096 176.870 -0.212 0.000 1.092 19 L CA 3.040 57.772 54.840 -0.180 0.000 0.759 19 L CB -0.814 41.132 42.059 -0.188 0.000 0.903 19 L HN -0.445 7.654 8.230 -0.219 0.000 0.435 20 N N -0.653 117.830 118.700 -0.361 0.000 2.381 20 N HA -0.206 nan 4.740 nan 0.000 0.182 20 N C 0.809 176.233 175.510 -0.143 0.000 1.025 20 N CA 2.682 55.443 53.050 -0.481 0.000 0.888 20 N CB -0.442 37.267 38.487 -1.296 0.000 0.965 20 N HN -0.126 7.880 8.380 -0.432 0.115 0.438 21 N N -0.885 117.810 118.700 -0.009 0.000 2.251 21 N HA 0.118 nan 4.740 nan 0.000 0.217 21 N C -2.012 173.550 175.510 0.087 0.000 1.124 21 N CA -0.101 53.041 53.050 0.153 0.000 0.843 21 N CB 1.237 39.872 38.487 0.246 0.000 1.024 21 N HN -0.382 7.787 8.380 -0.073 0.168 0.501 22 I N -1.025 119.559 120.570 0.023 0.000 2.436 22 I HA 0.320 nan 4.170 nan 0.000 0.289 22 I C -0.883 175.241 176.117 0.012 0.000 1.010 22 I CA -1.341 59.968 61.300 0.015 0.000 1.098 22 I CB 2.453 40.445 38.000 -0.013 0.000 1.266 22 I HN -0.702 7.431 8.210 -0.015 0.067 0.434 23 G N 3.569 112.377 108.800 0.013 0.000 2.634 23 G HA2 0.077 nan 3.960 nan 0.000 0.255 23 G HA3 0.077 nan 3.960 nan 0.000 0.255 23 G C -0.865 174.033 174.900 -0.003 0.000 1.205 23 G CA -0.832 44.270 45.100 0.003 0.000 0.884 23 G HN 0.277 8.575 8.290 0.012 0.000 0.549 24 A N -1.193 121.609 122.820 -0.031 0.000 2.500 24 A HA 0.294 nan 4.320 nan 0.000 0.267 24 A C -0.127 177.450 177.584 -0.012 0.000 1.290 24 A CA 0.342 52.364 52.037 -0.025 0.000 0.928 24 A CB 0.162 19.132 19.000 -0.050 0.000 1.066 24 A HN 0.595 8.711 8.150 -0.056 0.000 0.516 25 D N -3.339 117.055 120.400 -0.011 0.000 2.469 25 D HA 0.053 nan 4.640 nan 0.000 0.213 25 D C 0.792 177.076 176.300 -0.026 0.000 1.135 25 D CA -0.970 53.021 54.000 -0.015 0.000 0.834 25 D CB 0.075 40.864 40.800 -0.018 0.000 1.009 25 D HN -0.260 8.026 8.370 -0.008 0.080 0.507 26 G N -0.163 108.625 108.800 -0.020 0.000 2.299 26 G HA2 -0.066 nan 3.960 nan 0.000 0.256 26 G HA3 -0.066 nan 3.960 nan 0.000 0.256 26 G C 0.587 175.473 174.900 -0.024 0.000 1.259 26 G CA -0.270 44.802 45.100 -0.047 0.000 0.943 26 G HN -0.647 7.642 8.290 -0.003 0.000 0.479 27 A N 7.212 129.965 122.820 -0.113 0.000 2.032 27 A HA -0.139 nan 4.320 nan 0.000 0.221 27 A C 0.952 178.624 177.584 0.147 0.000 1.165 27 A CA 2.391 54.394 52.037 -0.058 0.000 0.645 27 A CB -0.272 18.617 19.000 -0.185 0.000 0.807 27 A HN 0.582 8.613 8.150 -0.198 0.000 0.453 28 W N -5.216 116.110 121.300 0.043 0.000 3.211 28 W HA 0.113 nan 4.660 nan 0.000 0.292 28 W C -0.080 176.520 176.519 0.135 0.000 1.268 28 W CA -1.272 56.114 57.345 0.068 0.000 1.702 28 W CB 1.041 30.542 29.460 0.069 0.000 1.092 28 W HN -0.534 7.634 8.180 0.039 0.035 0.643 29 V N -8.406 111.721 119.914 0.354 0.000 2.771 29 V HA 0.454 nan 4.120 nan 0.000 0.355 29 V C -0.809 175.472 176.094 0.310 0.000 1.289 29 V CA -2.948 59.597 62.300 0.408 0.000 1.231 29 V CB -0.536 31.477 31.823 0.316 0.000 1.396 29 V HN -0.754 7.541 8.190 0.254 0.047 0.628 30 S N 1.597 117.438 115.700 0.234 0.000 2.563 30 S HA -0.296 nan 4.470 nan 0.000 0.294 30 S C 0.968 175.700 174.600 0.220 0.000 1.279 30 S CA 1.449 59.746 58.200 0.162 0.000 1.069 30 S CB -0.158 63.106 63.200 0.106 0.000 0.828 30 S HN -0.017 8.422 8.310 0.215 0.000 0.497 31 G N 6.203 115.094 108.800 0.153 0.000 2.352 31 G HA2 -0.293 nan 3.960 nan 0.000 0.204 31 G HA3 -0.293 nan 3.960 nan 0.000 0.204 31 G C -1.278 173.669 174.900 0.078 0.000 1.004 31 G CA -0.415 44.777 45.100 0.154 0.000 0.648 31 G HN 0.361 8.711 8.290 0.101 0.000 0.491 32 A N 2.713 125.558 122.820 0.040 0.000 2.401 32 A HA 0.089 nan 4.320 nan 0.000 0.259 32 A C -0.742 176.823 177.584 -0.032 0.000 1.103 32 A CA 0.163 52.166 52.037 -0.058 0.000 0.789 32 A CB 0.539 19.486 19.000 -0.087 0.000 1.035 32 A HN -0.229 7.914 8.150 0.102 0.069 0.491 33 D N 2.351 122.722 120.400 -0.049 0.000 2.384 33 D HA -0.023 nan 4.640 nan 0.000 0.244 33 D C 0.031 176.298 176.300 -0.056 0.000 1.251 33 D CA -0.644 53.326 54.000 -0.051 0.000 0.961 33 D CB 2.039 42.804 40.800 -0.058 0.000 1.116 33 D HN 0.044 8.376 8.370 -0.063 0.000 0.484 34 S N -1.042 114.608 115.700 -0.084 0.000 2.515 34 S HA -0.390 nan 4.470 nan 0.000 0.285 34 S C 0.634 175.206 174.600 -0.047 0.000 1.265 34 S CA 1.843 59.971 58.200 -0.120 0.000 1.079 34 S CB -0.032 63.017 63.200 -0.251 0.000 0.877 34 S HN -0.089 8.166 8.310 -0.091 0.000 0.493 35 G N 7.411 116.230 108.800 0.032 0.000 2.179 35 G HA2 -0.441 nan 3.960 nan 0.000 0.260 35 G HA3 -0.441 nan 3.960 nan 0.000 0.260 35 G C -0.437 174.522 174.900 0.097 0.000 0.977 35 G CA 0.181 45.342 45.100 0.101 0.000 0.641 35 G HN 0.602 8.815 8.290 0.035 0.099 0.533 36 I N 3.227 123.820 120.570 0.038 0.000 2.337 36 I HA -0.002 nan 4.170 nan 0.000 0.291 36 I C -0.898 175.248 176.117 0.048 0.000 1.046 36 I CA -0.904 60.417 61.300 0.034 0.000 1.324 36 I CB -0.704 37.280 38.000 -0.027 0.000 1.409 36 I HN -0.523 7.632 8.210 0.009 0.060 0.494 37 V N 8.639 128.607 119.914 0.090 0.000 2.408 37 V HA 0.269 nan 4.120 nan 0.000 0.267 37 V C -0.678 175.479 176.094 0.105 0.000 1.047 37 V CA -0.395 61.954 62.300 0.082 0.000 0.937 37 V CB -0.431 31.430 31.823 0.064 0.000 0.999 37 V HN 0.396 8.668 8.190 0.136 0.000 0.472 38 V N 7.590 127.563 119.914 0.100 0.000 2.509 38 V HA 0.299 nan 4.120 nan 0.000 0.284 38 V C -0.420 175.821 176.094 0.245 0.000 1.047 38 V CA -1.333 61.038 62.300 0.118 0.000 0.952 38 V CB -0.062 31.769 31.823 0.013 0.000 0.988 38 V HN 0.460 8.707 8.190 0.095 0.000 0.469 39 A N 6.532 129.564 122.820 0.354 0.000 1.908 39 A HA -0.156 nan 4.320 nan 0.000 0.218 39 A C -0.748 177.069 177.584 0.388 0.000 1.181 39 A CA 2.898 55.157 52.037 0.371 0.000 0.627 39 A CB 0.882 20.087 19.000 0.343 0.000 0.818 39 A HN 0.385 8.782 8.150 0.411 0.000 0.445 40 S N -7.154 108.800 115.700 0.423 0.000 2.558 40 S HA 0.327 nan 4.470 nan 0.000 0.277 40 S C -2.722 172.106 174.600 0.380 0.000 1.143 40 S CA -2.330 56.083 58.200 0.356 0.000 0.865 40 S CB 1.633 65.006 63.200 0.288 0.000 1.102 40 S HN -0.845 7.736 8.310 0.451 0.000 0.454 41 P HA 0.057 nan 4.420 nan 0.000 0.245 41 P C -0.880 176.504 177.300 0.140 0.000 1.212 41 P CA 0.391 63.671 63.100 0.300 0.000 0.774 41 P CB 0.344 32.138 31.700 0.155 0.000 0.999 42 S N 1.258 117.028 115.700 0.117 0.000 2.481 42 S HA -0.089 nan 4.470 nan 0.000 0.282 42 S C 0.753 175.417 174.600 0.105 0.000 1.243 42 S CA 1.112 59.335 58.200 0.037 0.000 1.078 42 S CB 0.864 64.048 63.200 -0.027 0.000 0.916 42 S HN -0.365 7.955 8.310 0.147 0.078 0.495 43 T N 1.712 116.255 114.554 -0.020 0.000 3.060 43 T HA 0.189 nan 4.350 nan 0.000 0.249 43 T C -0.367 174.360 174.700 0.046 0.000 1.079 43 T CA -0.966 61.112 62.100 -0.037 0.000 1.013 43 T CB 0.268 68.988 68.868 -0.246 0.000 0.975 43 T HN 0.374 8.566 8.240 -0.080 0.000 0.518 44 D N 1.025 121.456 120.400 0.052 0.000 2.886 44 D HA 0.051 nan 4.640 nan 0.000 0.216 44 D C -1.856 174.487 176.300 0.072 0.000 1.256 44 D CA -0.048 53.998 54.000 0.076 0.000 0.844 44 D CB 2.195 43.014 40.800 0.033 0.000 1.669 44 D HN -0.788 7.549 8.370 0.024 0.048 0.513 45 N N 0.972 119.744 118.700 0.120 0.000 2.650 45 N HA -0.301 nan 4.740 nan 0.000 0.272 45 N C -2.078 173.469 175.510 0.062 0.000 1.058 45 N CA 0.326 53.450 53.050 0.123 0.000 0.765 45 N CB -1.148 37.388 38.487 0.082 0.000 0.902 45 N HN 0.335 8.807 8.380 0.152 0.000 0.551 46 P HA 0.147 nan 4.420 nan 0.000 0.285 46 P C -1.880 175.588 177.300 0.281 0.000 1.280 46 P CA -0.932 62.308 63.100 0.233 0.000 0.862 46 P CB 1.252 33.133 31.700 0.302 0.000 1.153 47 D N -0.652 120.022 120.400 0.457 0.000 2.441 47 D HA 0.038 nan 4.640 nan 0.000 0.221 47 D C -0.648 176.142 176.300 0.815 0.000 1.156 47 D CA -0.645 53.648 54.000 0.489 0.000 0.896 47 D CB -0.822 40.232 40.800 0.424 0.000 1.028 47 D HN 0.192 8.856 8.370 0.489 0.000 0.509 48 Y N 2.412 122.979 120.300 0.444 0.000 2.607 48 Y HA 0.055 nan 4.550 nan 0.000 0.266 48 Y C -0.081 176.154 175.900 0.558 0.000 1.178 48 Y CA -2.244 56.218 58.100 0.604 0.000 1.226 48 Y CB 0.249 38.940 38.460 0.385 0.000 1.144 48 Y HN 0.222 8.857 8.280 0.591 0.000 0.528 49 F N 4.049 124.133 119.950 0.223 0.000 2.659 49 F HA -0.015 nan 4.527 nan 0.000 0.360 49 F C -2.127 173.403 175.800 -0.448 0.000 1.218 49 F CA -0.221 57.745 58.000 -0.056 0.000 1.317 49 F CB -1.776 37.145 39.000 -0.131 0.000 1.697 49 F HN -0.607 8.154 8.300 0.455 -0.188 0.637 50 Y N 0.862 121.153 120.300 -0.016 0.000 2.705 50 Y HA 0.228 nan 4.550 nan 0.000 0.332 50 Y C -2.467 173.379 175.900 -0.090 0.000 1.221 50 Y CA -0.964 56.989 58.100 -0.246 0.000 1.059 50 Y CB 3.941 41.986 38.460 -0.691 0.000 1.298 50 Y HN -0.132 8.263 8.280 0.282 0.054 0.459 51 T N 1.325 115.903 114.554 0.041 0.000 2.786 51 T HA 0.510 nan 4.350 nan 0.000 0.283 51 T C -1.513 173.273 174.700 0.143 0.000 0.992 51 T CA -1.653 60.540 62.100 0.155 0.000 0.954 51 T CB 1.028 69.954 68.868 0.097 0.000 0.934 51 T HN 0.361 8.589 8.240 -0.019 0.000 0.440 52 W N 7.439 128.771 121.300 0.054 0.000 2.438 52 W HA 0.386 nan 4.660 nan 0.000 0.324 52 W C 0.928 177.486 176.519 0.064 0.000 1.119 52 W CA -0.550 56.814 57.345 0.031 0.000 1.221 52 W CB 2.393 31.859 29.460 0.011 0.000 1.253 52 W HN 0.539 9.093 8.180 0.622 0.000 0.555 53 T N 6.084 120.813 114.554 0.292 0.000 2.788 53 T HA -0.382 nan 4.350 nan 0.000 0.268 53 T C 1.733 176.514 174.700 0.135 0.000 1.044 53 T CA 5.071 67.296 62.100 0.207 0.000 1.139 53 T CB -0.387 68.590 68.868 0.180 0.000 0.867 53 T HN 0.509 8.902 8.240 0.255 0.000 0.454 54 R N 1.055 121.630 120.500 0.124 0.000 2.061 54 R HA -0.397 nan 4.340 nan 0.000 0.230 54 R C 0.892 177.064 176.300 -0.213 0.000 1.140 54 R CA 4.305 60.380 56.100 -0.042 0.000 0.940 54 R CB -0.489 29.777 30.300 -0.057 0.000 0.839 54 R HN 0.035 8.437 8.270 0.220 0.000 0.429 55 D N -1.557 118.735 120.400 -0.179 0.000 2.104 55 D HA -0.288 nan 4.640 nan 0.000 0.194 55 D C 2.700 178.908 176.300 -0.153 0.000 0.994 55 D CA 3.865 57.708 54.000 -0.263 0.000 0.830 55 D CB -0.930 39.860 40.800 -0.016 0.000 0.959 55 D HN 0.104 8.462 8.370 -0.018 0.000 0.452 56 S N 0.822 116.516 115.700 -0.010 0.000 2.356 56 S HA -0.355 nan 4.470 nan 0.000 0.223 56 S C 2.372 176.870 174.600 -0.169 0.000 1.032 56 S CA 3.485 61.672 58.200 -0.022 0.000 1.005 56 S CB -0.112 63.184 63.200 0.160 0.000 0.867 56 S HN -0.126 8.235 8.310 0.085 0.000 0.449 57 G N 1.198 109.940 108.800 -0.097 0.000 2.418 57 G HA2 -0.252 nan 3.960 nan 0.000 0.217 57 G HA3 -0.252 nan 3.960 nan 0.000 0.217 57 G C 1.007 175.784 174.900 -0.206 0.000 1.158 57 G CA 1.905 46.930 45.100 -0.126 0.000 0.771 57 G HN -0.202 8.071 8.290 -0.028 0.000 0.545 58 L N 1.206 122.266 121.223 -0.271 0.000 2.056 58 L HA -0.347 nan 4.340 nan 0.000 0.207 58 L C 2.302 179.056 176.870 -0.193 0.000 1.078 58 L CA 2.993 57.648 54.840 -0.308 0.000 0.749 58 L CB -0.165 41.543 42.059 -0.585 0.000 0.901 58 L HN -0.062 7.989 8.230 -0.299 0.000 0.433 59 V N 0.334 120.133 119.914 -0.191 0.000 2.358 59 V HA -0.411 nan 4.120 nan 0.000 0.246 59 V C 2.228 178.220 176.094 -0.170 0.000 1.047 59 V CA 4.458 66.692 62.300 -0.109 0.000 1.035 59 V CB -0.768 31.014 31.823 -0.068 0.000 0.658 59 V HN 0.013 8.064 8.190 -0.232 0.000 0.452 60 I N -1.128 119.256 120.570 -0.311 0.000 2.315 60 I HA -0.430 nan 4.170 nan 0.000 0.248 60 I C 1.881 177.850 176.117 -0.248 0.000 1.117 60 I CA 2.616 63.667 61.300 -0.414 0.000 1.404 60 I CB -1.667 35.797 38.000 -0.894 0.000 1.071 60 I HN 0.327 8.326 8.210 -0.351 0.000 0.419 61 K N 0.295 120.592 120.400 -0.171 0.000 2.103 61 K HA -0.332 nan 4.320 nan 0.000 0.207 61 K C 2.267 178.856 176.600 -0.018 0.000 1.048 61 K CA 3.259 59.506 56.287 -0.067 0.000 0.930 61 K CB -0.630 31.849 32.500 -0.035 0.000 0.716 61 K HN -0.139 7.993 8.250 -0.197 0.000 0.444 62 T N 2.911 117.457 114.554 -0.014 0.000 2.708 62 T HA -0.241 nan 4.350 nan 0.000 0.266 62 T C 2.312 177.012 174.700 0.001 0.000 1.037 62 T CA 4.959 67.076 62.100 0.030 0.000 1.146 62 T CB -0.555 68.347 68.868 0.058 0.000 0.865 62 T HN -0.596 7.620 8.240 -0.039 0.001 0.435 63 L N 0.061 121.251 121.223 -0.055 0.000 2.093 63 L HA -0.309 nan 4.340 nan 0.000 0.208 63 L C 1.802 178.647 176.870 -0.042 0.000 1.085 63 L CA 3.305 58.101 54.840 -0.073 0.000 0.755 63 L CB -0.616 41.351 42.059 -0.153 0.000 0.904 63 L HN -0.135 7.968 8.230 -0.089 0.074 0.435 64 V N 0.719 120.601 119.914 -0.054 0.000 2.343 64 V HA -0.560 nan 4.120 nan 0.000 0.247 64 V C 1.960 178.133 176.094 0.132 0.000 1.051 64 V CA 4.812 67.132 62.300 0.033 0.000 1.036 64 V CB -1.098 30.749 31.823 0.040 0.000 0.654 64 V HN 0.566 8.702 8.190 -0.090 0.000 0.451 65 D N -0.309 120.143 120.400 0.086 0.000 2.117 65 D HA -0.230 nan 4.640 nan 0.000 0.197 65 D C 2.628 178.969 176.300 0.069 0.000 0.987 65 D CA 3.471 57.524 54.000 0.088 0.000 0.829 65 D CB -0.537 40.309 40.800 0.077 0.000 0.961 65 D HN -0.247 8.157 8.370 0.056 0.000 0.460 66 L N -1.107 120.150 121.223 0.056 0.000 2.056 66 L HA -0.344 nan 4.340 nan 0.000 0.207 66 L C 2.048 178.938 176.870 0.033 0.000 1.078 66 L CA 2.734 57.594 54.840 0.033 0.000 0.749 66 L CB -0.213 41.857 42.059 0.018 0.000 0.901 66 L HN -0.410 7.851 8.230 0.050 0.000 0.433 67 F N 0.595 120.486 119.950 -0.099 0.000 2.069 67 F HA -0.434 nan 4.527 nan 0.000 0.298 67 F C 1.977 177.696 175.800 -0.135 0.000 1.113 67 F CA 3.709 61.616 58.000 -0.154 0.000 1.214 67 F CB 0.056 38.917 39.000 -0.233 0.000 0.978 67 F HN 0.293 8.697 8.300 0.173 0.000 0.474 68 R N -2.524 117.898 120.500 -0.130 0.000 2.193 68 R HA -0.340 nan 4.340 nan 0.000 0.229 68 R C 1.367 177.617 176.300 -0.084 0.000 1.110 68 R CA 2.652 58.680 56.100 -0.121 0.000 0.988 68 R CB -0.346 30.034 30.300 0.134 0.000 0.871 68 R HN 0.073 8.420 8.270 0.128 0.000 0.458 69 N N -3.454 115.206 118.700 -0.068 0.000 2.383 69 N HA 0.017 nan 4.740 nan 0.000 0.192 69 N C -0.100 175.366 175.510 -0.073 0.000 1.141 69 N CA 0.058 53.084 53.050 -0.040 0.000 0.851 69 N CB 0.461 38.943 38.487 -0.009 0.000 0.976 69 N HN -0.562 7.645 8.380 -0.048 0.144 0.465 70 G N -1.494 107.213 108.800 -0.155 0.000 2.229 70 G HA2 -0.329 nan 3.960 nan 0.000 0.189 70 G HA3 -0.329 nan 3.960 nan 0.000 0.189 70 G C -0.770 174.050 174.900 -0.134 0.000 1.000 70 G CA -0.188 44.827 45.100 -0.142 0.000 0.663 70 G HN 0.035 7.987 8.290 -0.254 0.186 0.493 71 D N 3.282 123.612 120.400 -0.116 0.000 2.608 71 D HA 0.244 nan 4.640 nan 0.000 0.224 71 D C 0.930 177.230 176.300 -0.000 0.000 1.123 71 D CA -1.112 52.860 54.000 -0.047 0.000 1.030 71 D CB -0.796 39.995 40.800 -0.015 0.000 1.093 71 D HN -0.291 8.005 8.370 -0.122 0.000 0.497 72 T N -0.529 113.994 114.554 -0.052 0.000 2.849 72 T HA -0.267 nan 4.350 nan 0.000 0.270 72 T C 1.931 176.713 174.700 0.138 0.000 1.066 72 T CA 3.013 65.136 62.100 0.038 0.000 1.130 72 T CB -0.313 68.545 68.868 -0.017 0.000 0.864 72 T HN 0.039 8.182 8.240 -0.081 0.049 0.481 73 D N 2.593 123.017 120.400 0.040 0.000 2.351 73 D HA -0.118 nan 4.640 nan 0.000 0.216 73 D C 1.115 177.377 176.300 -0.064 0.000 0.968 73 D CA 2.384 56.375 54.000 -0.016 0.000 0.899 73 D CB -0.798 39.980 40.800 -0.038 0.000 0.907 73 D HN 0.057 8.403 8.370 0.015 0.032 0.514 74 L N -2.234 118.970 121.223 -0.032 0.000 2.554 74 L HA -0.073 nan 4.340 nan 0.000 0.226 74 L C 1.311 177.942 176.870 -0.397 0.000 1.137 74 L CA 0.406 55.146 54.840 -0.168 0.000 0.863 74 L CB -0.274 41.720 42.059 -0.109 0.000 0.985 74 L HN -0.638 7.584 8.230 0.081 0.057 0.451 75 L N 0.346 121.329 121.223 -0.399 0.000 1.997 75 L HA -0.491 nan 4.340 nan 0.000 0.216 75 L C 1.197 177.658 176.870 -0.683 0.000 1.074 75 L CA 4.050 58.481 54.840 -0.681 0.000 0.763 75 L CB -0.457 41.397 42.059 -0.342 0.000 0.890 75 L HN -0.359 7.731 8.230 -0.129 0.062 0.434 76 S N -2.048 113.328 115.700 -0.540 0.000 2.370 76 S HA -0.343 nan 4.470 nan 0.000 0.226 76 S C 2.268 176.273 174.600 -0.991 0.000 1.033 76 S CA 4.000 61.763 58.200 -0.728 0.000 1.011 76 S CB -0.953 61.934 63.200 -0.521 0.000 0.852 76 S HN 0.371 8.448 8.310 -0.389 0.000 0.457 77 T N 5.825 119.993 114.554 -0.644 0.000 2.684 77 T HA -0.254 nan 4.350 nan 0.000 0.267 77 T C 2.148 176.565 174.700 -0.471 0.000 1.036 77 T CA 4.473 66.294 62.100 -0.466 0.000 1.148 77 T CB -0.540 68.142 68.868 -0.310 0.000 0.863 77 T HN -0.727 7.208 8.240 -0.509 0.000 0.436 78 I N 0.994 121.181 120.570 -0.639 0.000 2.226 78 I HA -0.581 nan 4.170 nan 0.000 0.245 78 I C 1.414 177.093 176.117 -0.730 0.000 1.100 78 I CA 4.554 65.414 61.300 -0.733 0.000 1.374 78 I CB -0.348 36.944 38.000 -1.180 0.000 1.057 78 I HN -0.308 7.482 8.210 -0.699 0.000 0.413 79 E N -0.400 119.232 120.200 -0.947 0.000 2.077 79 E HA -0.453 nan 4.350 nan 0.000 0.193 79 E C 2.553 178.907 176.600 -0.409 0.000 0.989 79 E CA 3.638 59.403 56.400 -1.059 0.000 0.800 79 E CB -0.300 28.528 29.700 -1.454 0.000 0.746 79 E HN -0.150 7.609 8.360 -1.003 0.000 0.452 80 H N 0.073 118.948 119.070 -0.326 0.000 2.387 80 H HA -0.333 nan 4.556 nan 0.000 0.299 80 H C 2.296 177.585 175.328 -0.065 0.000 1.090 80 H CA 2.440 58.404 56.048 -0.141 0.000 1.332 80 H CB 0.208 29.894 29.762 -0.126 0.000 1.386 80 H HN 0.017 7.919 8.280 -0.631 0.000 0.516 81 Y N 0.997 121.248 120.300 -0.081 0.000 2.145 81 Y HA -0.455 nan 4.550 nan 0.000 0.286 81 Y C 1.341 177.222 175.900 -0.033 0.000 1.145 81 Y CA 3.588 61.638 58.100 -0.082 0.000 1.148 81 Y CB -0.286 38.084 38.460 -0.151 0.000 0.981 81 Y HN -0.196 8.024 8.280 0.029 0.077 0.507 82 I N -1.793 118.719 120.570 -0.096 0.000 2.226 82 I HA -0.717 nan 4.170 nan 0.000 0.245 82 I C 1.970 178.092 176.117 0.009 0.000 1.100 82 I CA 4.192 65.461 61.300 -0.052 0.000 1.374 82 I CB -0.304 37.874 38.000 0.297 0.000 1.057 82 I HN -0.224 7.999 8.210 0.023 0.000 0.413 83 S N -0.555 115.245 115.700 0.167 0.000 2.368 83 S HA -0.423 nan 4.470 nan 0.000 0.225 83 S C 2.218 176.803 174.600 -0.026 0.000 1.030 83 S CA 3.791 62.078 58.200 0.146 0.000 0.999 83 S CB -0.147 63.209 63.200 0.260 0.000 0.844 83 S HN -0.062 8.390 8.310 0.238 0.000 0.459 84 S N 0.880 116.526 115.700 -0.091 0.000 2.399 84 S HA -0.354 nan 4.470 nan 0.000 0.231 84 S C 2.212 176.671 174.600 -0.236 0.000 1.022 84 S CA 3.053 61.162 58.200 -0.153 0.000 0.983 84 S CB -0.062 63.053 63.200 -0.141 0.000 0.803 84 S HN -0.087 8.107 8.310 -0.071 0.074 0.480 85 Q N 0.889 120.491 119.800 -0.330 0.000 2.230 85 Q HA -0.186 nan 4.340 nan 0.000 0.202 85 Q C 2.376 178.247 176.000 -0.215 0.000 0.963 85 Q CA 1.840 57.440 55.803 -0.337 0.000 0.866 85 Q CB -0.845 27.614 28.738 -0.465 0.000 0.931 85 Q HN -0.283 7.649 8.270 -0.386 0.106 0.452 86 A N 0.546 123.275 122.820 -0.152 0.000 1.933 86 A HA -0.239 nan 4.320 nan 0.000 0.218 86 A C 1.851 179.367 177.584 -0.113 0.000 1.175 86 A CA 3.484 55.459 52.037 -0.104 0.000 0.628 86 A CB -0.848 18.109 19.000 -0.071 0.000 0.814 86 A HN -0.416 7.558 8.150 -0.142 0.091 0.444 87 I N -1.503 118.988 120.570 -0.132 0.000 2.162 87 I HA -0.304 nan 4.170 nan 0.000 0.238 87 I C 2.326 178.330 176.117 -0.189 0.000 1.076 87 I CA 2.034 63.253 61.300 -0.135 0.000 1.353 87 I CB -0.750 37.173 38.000 -0.128 0.000 1.063 87 I HN -0.947 7.083 8.210 -0.137 0.099 0.408 88 I N -0.124 120.278 120.570 -0.280 0.000 2.194 88 I HA -0.555 nan 4.170 nan 0.000 0.246 88 I C 2.903 178.808 176.117 -0.352 0.000 1.093 88 I CA 3.272 64.294 61.300 -0.462 0.000 1.355 88 I CB -1.495 36.120 38.000 -0.642 0.000 1.046 88 I HN 0.025 8.074 8.210 -0.269 0.000 0.413 89 Q N -1.803 117.863 119.800 -0.223 0.000 2.181 89 Q HA -0.327 nan 4.340 nan 0.000 0.205 89 Q C 1.301 177.252 176.000 -0.081 0.000 0.980 89 Q CA 2.809 58.538 55.803 -0.123 0.000 0.862 89 Q CB -0.077 28.614 28.738 -0.079 0.000 0.905 89 Q HN 0.080 8.221 8.270 -0.215 0.000 0.429 90 G N -5.070 103.677 108.800 -0.089 0.000 3.042 90 G HA2 0.058 nan 3.960 nan 0.000 0.212 90 G HA3 0.058 nan 3.960 nan 0.000 0.212 90 G C -0.596 174.277 174.900 -0.046 0.000 1.166 90 G CA -0.441 44.624 45.100 -0.059 0.000 0.767 90 G HN -0.623 7.371 8.290 -0.114 0.227 0.546 91 V N 1.994 121.875 119.914 -0.056 0.000 2.446 91 V HA -0.167 nan 4.120 nan 0.000 0.276 91 V C -0.062 176.063 176.094 0.052 0.000 1.030 91 V CA 0.423 62.720 62.300 -0.005 0.000 1.033 91 V CB -0.478 31.340 31.823 -0.008 0.000 0.993 91 V HN -0.624 7.326 8.190 -0.105 0.177 0.477 92 S N 7.980 123.696 115.700 0.027 0.000 2.533 92 S HA -0.012 nan 4.470 nan 0.000 0.282 92 S C -1.260 173.362 174.600 0.037 0.000 1.304 92 S CA 1.267 59.478 58.200 0.019 0.000 1.063 92 S CB 0.551 63.751 63.200 -0.001 0.000 0.881 92 S HN 0.341 8.657 8.310 0.010 0.000 0.493 93 N N 3.629 122.343 118.700 0.022 0.000 2.972 93 N HA 0.444 nan 4.740 nan 0.000 0.262 93 N C -1.654 173.829 175.510 -0.044 0.000 1.478 93 N CA -1.170 51.874 53.050 -0.011 0.000 0.841 93 N CB -0.273 38.211 38.487 -0.005 0.000 1.512 93 N HN 0.082 8.469 8.380 0.012 0.000 0.548 94 P HA -0.117 nan 4.420 nan 0.000 0.221 94 P C -0.232 177.044 177.300 -0.042 0.000 1.145 94 P CA 2.559 65.624 63.100 -0.059 0.000 0.795 94 P CB 0.044 31.701 31.700 -0.072 0.000 0.775 95 S N -4.200 111.471 115.700 -0.048 0.000 2.527 95 S HA 0.045 nan 4.470 nan 0.000 0.222 95 S C -0.130 174.454 174.600 -0.027 0.000 0.985 95 S CA 0.693 58.873 58.200 -0.032 0.000 0.921 95 S CB 0.768 63.946 63.200 -0.037 0.000 0.772 95 S HN 0.037 8.660 8.310 -0.069 -0.354 0.529 96 G N -0.681 108.104 108.800 -0.025 0.000 2.293 96 G HA2 -0.189 nan 3.960 nan 0.000 0.282 96 G HA3 -0.189 nan 3.960 nan 0.000 0.282 96 G C -2.559 172.329 174.900 -0.021 0.000 1.299 96 G CA -0.549 44.537 45.100 -0.023 0.000 1.018 96 G HN -0.505 7.711 8.290 -0.026 0.058 0.478 97 D N -0.783 119.595 120.400 -0.037 0.000 2.569 97 D HA 0.509 nan 4.640 nan 0.000 0.266 97 D C 0.881 177.132 176.300 -0.081 0.000 1.164 97 D CA -1.384 52.589 54.000 -0.045 0.000 1.071 97 D CB 2.275 43.045 40.800 -0.050 0.000 1.183 97 D HN -0.084 8.260 8.370 -0.044 0.000 0.613 98 L N 0.199 121.369 121.223 -0.089 0.000 2.021 98 L HA -0.328 nan 4.340 nan 0.000 0.215 98 L C 0.619 177.276 176.870 -0.355 0.000 1.074 98 L CA 3.138 57.902 54.840 -0.127 0.000 0.760 98 L CB 0.078 42.096 42.059 -0.069 0.000 0.889 98 L HN 0.340 8.531 8.230 -0.064 0.000 0.433 99 S N -4.458 111.000 115.700 -0.404 0.000 2.556 99 S HA 0.028 nan 4.470 nan 0.000 0.216 99 S C 0.185 174.511 174.600 -0.458 0.000 0.970 99 S CA 1.086 58.819 58.200 -0.779 0.000 0.912 99 S CB -0.025 62.972 63.200 -0.339 0.000 0.790 99 S HN 0.059 8.233 8.310 -0.227 0.000 0.504 100 S N -1.708 113.860 115.700 -0.222 0.000 2.754 100 S HA 0.274 nan 4.470 nan 0.000 0.247 100 S C 0.036 174.634 174.600 -0.004 0.000 1.031 100 S CA -0.313 57.848 58.200 -0.066 0.000 1.014 100 S CB 0.516 63.689 63.200 -0.045 0.000 0.918 100 S HN -0.465 7.547 8.310 -0.202 0.177 0.519 104 L N 1.382 122.536 121.223 -0.115 0.000 2.362 104 L HA -0.172 nan 4.340 nan 0.000 0.219 104 L C 0.619 177.211 176.870 -0.464 0.000 1.134 104 L CA 1.117 55.803 54.840 -0.256 0.000 0.807 104 L CB -0.135 41.760 42.059 -0.273 0.000 0.927 104 L HN 0.214 8.378 8.230 -0.055 0.033 0.447 105 G N -2.397 106.086 108.800 -0.529 0.000 2.920 105 G HA2 -0.118 nan 3.960 nan 0.000 0.208 105 G HA3 -0.118 nan 3.960 nan 0.000 0.208 105 G C -1.360 173.485 174.900 -0.093 0.000 1.159 105 G CA -0.435 44.467 45.100 -0.330 0.000 0.784 105 G HN -0.387 7.644 8.290 -0.360 0.043 0.535 106 E N 1.496 121.640 120.200 -0.094 0.000 2.417 106 E HA 0.062 nan 4.350 nan 0.000 0.261 106 E C -1.401 175.090 176.600 -0.181 0.000 1.000 106 E CA -2.133 54.166 56.400 -0.169 0.000 0.919 106 E CB 0.413 29.928 29.700 -0.309 0.000 0.955 106 E HN -0.762 7.481 8.360 -0.083 0.066 0.455 107 P HA -0.073 nan 4.420 nan 0.000 0.215 107 P C -1.789 175.308 177.300 -0.338 0.000 1.157 107 P CA 1.741 64.792 63.100 -0.083 0.000 0.859 107 P CB 0.446 32.217 31.700 0.117 0.000 0.786 108 K N -5.946 113.970 120.400 -0.807 0.000 2.509 108 K HA 0.766 nan 4.320 nan 0.000 0.266 108 K C -1.874 174.093 176.600 -1.055 0.000 0.987 108 K CA -1.135 54.550 56.287 -1.003 0.000 0.868 108 K CB 4.032 35.384 32.500 -1.913 0.000 1.421 108 K HN -0.853 6.892 8.250 -0.842 0.000 0.444 109 F N -3.609 116.091 119.950 -0.417 0.000 2.629 109 F HA 0.424 nan 4.527 nan 0.000 0.316 109 F C -0.995 174.742 175.800 -0.106 0.000 1.081 109 F CA -1.574 56.307 58.000 -0.199 0.000 0.954 109 F CB 3.743 42.664 39.000 -0.132 0.000 1.337 109 F HN 0.601 8.767 8.300 -0.223 0.000 0.474 110 N N 0.232 119.049 118.700 0.196 0.000 2.444 110 N HA 0.194 nan 4.740 nan 0.000 0.255 110 N C 1.748 177.267 175.510 0.014 0.000 1.255 110 N CA 0.754 53.880 53.050 0.128 0.000 0.933 110 N CB 0.761 39.323 38.487 0.126 0.000 1.143 110 N HN 0.198 8.716 8.380 0.230 0.000 0.453 111 V N -4.285 115.554 119.914 -0.125 0.000 3.026 111 V HA -0.164 nan 4.120 nan 0.000 0.265 111 V C 0.112 176.150 176.094 -0.094 0.000 1.121 111 V CA 2.499 64.690 62.300 -0.180 0.000 1.142 111 V CB -0.598 30.961 31.823 -0.441 0.000 0.730 111 V HN 0.643 8.716 8.190 -0.196 0.000 0.503 112 D N -2.822 117.551 120.400 -0.045 0.000 2.325 112 D HA -0.058 nan 4.640 nan 0.000 0.225 112 D C 0.094 176.379 176.300 -0.026 0.000 1.096 112 D CA -0.762 53.223 54.000 -0.025 0.000 0.844 112 D CB -1.077 39.723 40.800 0.001 0.000 0.925 112 D HN -0.034 8.264 8.370 -0.029 0.055 0.513 113 E N -6.591 113.592 120.200 -0.030 0.000 3.547 113 E HA -0.476 nan 4.350 nan 0.000 0.309 113 E C -0.996 175.602 176.600 -0.003 0.000 0.855 113 E CA 1.038 57.404 56.400 -0.057 0.000 1.122 113 E CB -1.983 27.654 29.700 -0.105 0.000 1.569 113 E HN -0.020 8.142 8.360 -0.024 0.184 0.429 114 T N -4.470 110.117 114.554 0.055 0.000 2.918 114 T HA 0.242 nan 4.350 nan 0.000 0.283 114 T C -0.903 173.900 174.700 0.171 0.000 1.001 114 T CA -1.785 60.363 62.100 0.079 0.000 1.041 114 T CB 1.953 70.851 68.868 0.049 0.000 1.028 114 T HN -0.536 7.930 8.240 0.051 -0.195 0.511 115 A N 1.215 124.121 122.820 0.144 0.000 2.407 115 A HA 0.171 nan 4.320 nan 0.000 0.248 115 A C -1.356 176.237 177.584 0.015 0.000 1.082 115 A CA -0.084 52.021 52.037 0.114 0.000 0.785 115 A CB 0.489 19.514 19.000 0.041 0.000 1.020 115 A HN 0.110 8.315 8.150 0.092 0.000 0.489 116 Y N 3.071 123.240 120.300 -0.218 0.000 2.425 116 Y HA -0.024 nan 4.550 nan 0.000 0.347 116 Y C -0.811 174.950 175.900 -0.231 0.000 0.976 116 Y CA -0.317 57.626 58.100 -0.261 0.000 1.190 116 Y CB 0.911 39.061 38.460 -0.517 0.000 1.136 116 Y HN 0.331 8.523 8.280 -0.146 0.000 0.517 117 T N 2.155 116.321 114.554 -0.646 0.000 3.086 117 T HA 0.127 nan 4.350 nan 0.000 0.250 117 T C 0.638 175.049 174.700 -0.481 0.000 1.074 117 T CA -1.188 60.647 62.100 -0.440 0.000 0.988 117 T CB -0.384 68.334 68.868 -0.251 0.000 0.988 117 T HN 0.095 7.948 8.240 -0.645 0.000 0.530 118 G N 0.361 108.634 108.800 -0.877 0.000 2.616 118 G HA2 0.034 nan 3.960 nan 0.000 0.268 118 G HA3 0.034 nan 3.960 nan 0.000 0.268 118 G C -0.520 174.331 174.900 -0.083 0.000 1.213 118 G CA -0.900 43.943 45.100 -0.428 0.000 0.926 118 G HN -0.452 6.790 8.290 -1.747 0.000 0.523 119 S N -0.052 115.691 115.700 0.073 0.000 2.562 119 S HA -0.048 nan 4.470 nan 0.000 0.281 119 S C -0.664 174.146 174.600 0.350 0.000 1.333 119 S CA 0.586 58.869 58.200 0.138 0.000 1.052 119 S CB 0.549 63.795 63.200 0.077 0.000 0.884 119 S HN 0.293 8.633 8.310 0.050 0.000 0.506 120 W N 3.218 124.486 121.300 -0.054 0.000 3.161 120 W HA 0.038 nan 4.660 nan 0.000 0.314 120 W C -1.646 174.707 176.519 -0.277 0.000 1.245 120 W CA -0.260 57.015 57.345 -0.118 0.000 1.191 120 W CB 3.527 32.932 29.460 -0.093 0.000 1.392 120 W HN 0.232 8.495 8.180 0.138 0.000 0.568 121 G N 2.441 110.753 108.800 -0.813 0.000 2.508 121 G HA2 -0.119 nan 3.960 nan 0.000 0.301 121 G HA3 -0.119 nan 3.960 nan 0.000 0.301 121 G C -1.823 172.706 174.900 -0.618 0.000 0.965 121 G CA -0.016 44.287 45.100 -1.328 0.000 1.339 121 G HN 0.249 7.710 8.290 -1.382 0.000 0.455 122 R N 3.363 123.737 120.500 -0.211 0.000 2.795 122 R HA 0.544 nan 4.340 nan 0.000 0.275 122 R C -2.774 173.674 176.300 0.247 0.000 0.981 122 R CA -3.605 52.560 56.100 0.108 0.000 0.917 122 R CB 1.141 31.487 30.300 0.077 0.000 1.202 122 R HN -0.768 7.362 8.270 -0.233 0.000 0.469 123 P HA 0.170 nan 4.420 nan 0.000 0.281 123 P C -1.609 175.836 177.300 0.241 0.000 1.281 123 P CA -1.238 61.963 63.100 0.169 0.000 0.811 123 P CB 1.513 33.290 31.700 0.129 0.000 1.154 124 Q N -1.544 118.375 119.800 0.198 0.000 2.394 124 Q HA 0.372 nan 4.340 nan 0.000 0.261 124 Q C 1.056 177.174 176.000 0.196 0.000 1.023 124 Q CA -0.776 55.161 55.803 0.223 0.000 0.720 124 Q CB 1.495 30.370 28.738 0.228 0.000 1.241 124 Q HN 0.176 8.530 8.270 0.140 0.000 0.483 125 R N 4.444 125.090 120.500 0.244 0.000 2.323 125 R HA -0.241 nan 4.340 nan 0.000 0.198 125 R C 0.490 176.938 176.300 0.246 0.000 0.988 125 R CA 2.136 58.427 56.100 0.319 0.000 1.041 125 R CB -0.521 30.012 30.300 0.388 0.000 0.926 125 R HN 0.651 9.066 8.270 0.242 0.000 0.476 126 D N -2.159 118.351 120.400 0.183 0.000 2.194 126 D HA -0.126 nan 4.640 nan 0.000 0.204 126 D C 1.301 177.656 176.300 0.092 0.000 0.964 126 D CA 1.994 56.069 54.000 0.125 0.000 0.846 126 D CB -0.950 39.974 40.800 0.206 0.000 0.962 126 D HN -0.072 8.355 8.370 0.196 0.061 0.490 127 G N 0.843 109.703 108.800 0.100 0.000 2.553 127 G HA2 -0.274 nan 3.960 nan 0.000 0.218 127 G HA3 -0.274 nan 3.960 nan 0.000 0.218 127 G C -1.015 173.910 174.900 0.040 0.000 1.195 127 G CA 3.127 48.267 45.100 0.067 0.000 0.779 127 G HN -0.469 7.895 8.290 0.124 0.000 0.577 128 P HA -0.159 nan 4.420 nan 0.000 0.216 128 P C 1.151 178.497 177.300 0.077 0.000 1.150 128 P CA 2.762 65.882 63.100 0.034 0.000 0.837 128 P CB -0.447 31.264 31.700 0.018 0.000 0.786 129 A N -2.533 120.332 122.820 0.075 0.000 1.873 129 A HA -0.148 nan 4.320 nan 0.000 0.215 129 A C 2.286 179.854 177.584 -0.027 0.000 1.186 129 A CA 2.980 55.031 52.037 0.024 0.000 0.616 129 A CB -0.782 18.205 19.000 -0.022 0.000 0.823 129 A HN -0.709 7.478 8.150 0.091 0.017 0.442 130 L N -2.069 119.132 121.223 -0.035 0.000 2.056 130 L HA -0.427 nan 4.340 nan 0.000 0.207 130 L C 2.240 179.103 176.870 -0.011 0.000 1.078 130 L CA 2.943 57.749 54.840 -0.057 0.000 0.749 130 L CB -0.471 41.549 42.059 -0.064 0.000 0.901 130 L HN -0.048 8.172 8.230 -0.016 0.000 0.433 131 R N -0.765 119.758 120.500 0.039 0.000 2.075 131 R HA -0.391 nan 4.340 nan 0.000 0.232 131 R C 1.912 178.265 176.300 0.089 0.000 1.126 131 R CA 3.522 59.682 56.100 0.100 0.000 0.963 131 R CB -0.130 30.233 30.300 0.105 0.000 0.858 131 R HN 0.241 8.533 8.270 0.038 0.000 0.435 132 A N -2.101 120.757 122.820 0.063 0.000 1.883 132 A HA -0.281 nan 4.320 nan 0.000 0.217 132 A C 2.050 179.651 177.584 0.027 0.000 1.186 132 A CA 3.411 55.486 52.037 0.064 0.000 0.624 132 A CB -0.972 18.076 19.000 0.081 0.000 0.822 132 A HN -0.032 8.153 8.150 0.057 0.000 0.444 133 T N 0.828 115.378 114.554 -0.005 0.000 2.788 133 T HA -0.365 nan 4.350 nan 0.000 0.268 133 T C 1.888 176.583 174.700 -0.007 0.000 1.044 133 T CA 5.099 67.180 62.100 -0.031 0.000 1.139 133 T CB -0.538 68.283 68.868 -0.078 0.000 0.867 133 T HN -0.212 8.020 8.240 -0.013 0.000 0.454 134 A N 1.323 124.147 122.820 0.007 0.000 1.877 134 A HA -0.220 nan 4.320 nan 0.000 0.216 134 A C 1.966 179.590 177.584 0.067 0.000 1.186 134 A CA 3.174 55.217 52.037 0.010 0.000 0.620 134 A CB -0.813 18.170 19.000 -0.029 0.000 0.822 134 A HN -0.315 7.759 8.150 0.009 0.082 0.443 135 M N -1.546 118.118 119.600 0.106 0.000 2.200 135 M HA -0.391 nan 4.480 nan 0.000 0.265 135 M C 2.321 178.634 176.300 0.021 0.000 1.066 135 M CA 4.045 59.428 55.300 0.138 0.000 1.127 135 M CB 0.185 32.875 32.600 0.149 0.000 1.379 135 M HN -0.353 8.001 8.290 0.106 0.000 0.420 136 I N -0.790 119.708 120.570 -0.120 0.000 2.208 136 I HA -0.546 nan 4.170 nan 0.000 0.245 136 I C 1.836 177.826 176.117 -0.210 0.000 1.097 136 I CA 4.263 65.323 61.300 -0.399 0.000 1.363 136 I CB -0.577 37.258 38.000 -0.275 0.000 1.051 136 I HN 0.481 8.658 8.210 -0.055 0.000 0.413 137 G N -1.057 107.738 108.800 -0.009 0.000 2.418 137 G HA2 -0.354 nan 3.960 nan 0.000 0.217 137 G HA3 -0.354 nan 3.960 nan 0.000 0.217 137 G C 0.916 175.943 174.900 0.212 0.000 1.158 137 G CA 2.107 47.267 45.100 0.099 0.000 0.771 137 G HN -0.468 7.824 8.290 0.003 0.000 0.545 138 F N 3.010 123.000 119.950 0.067 0.000 2.206 138 F HA -0.171 nan 4.527 nan 0.000 0.298 138 F C 1.416 177.371 175.800 0.258 0.000 1.090 138 F CA 1.555 59.645 58.000 0.149 0.000 1.323 138 F CB 0.116 39.147 39.000 0.052 0.000 1.028 138 F HN -0.834 7.633 8.300 0.279 0.000 0.492 139 G N -1.606 107.264 108.800 0.117 0.000 2.442 139 G HA2 -0.439 nan 3.960 nan 0.000 0.219 139 G HA3 -0.439 nan 3.960 nan 0.000 0.219 139 G C 0.988 176.035 174.900 0.245 0.000 1.141 139 G CA 2.127 47.306 45.100 0.132 0.000 0.763 139 G HN 0.445 8.731 8.290 0.103 0.066 0.554 140 Q N 1.923 121.816 119.800 0.155 0.000 2.050 140 Q HA -0.345 nan 4.340 nan 0.000 0.202 140 Q C 1.973 178.084 176.000 0.186 0.000 0.980 140 Q CA 2.923 58.853 55.803 0.211 0.000 0.840 140 Q CB -0.099 28.737 28.738 0.163 0.000 0.898 140 Q HN -0.014 8.181 8.270 0.036 0.096 0.424 141 W N 0.778 122.097 121.300 0.032 0.000 2.335 141 W HA -0.398 nan 4.660 nan 0.000 0.311 141 W C 1.775 178.305 176.519 0.017 0.000 1.213 141 W CA 4.200 61.566 57.345 0.035 0.000 1.274 141 W CB 0.032 29.547 29.460 0.092 0.000 1.148 141 W HN -0.575 7.743 8.180 0.345 0.069 0.498 142 L N -2.169 119.136 121.223 0.136 0.000 2.012 142 L HA -0.589 nan 4.340 nan 0.000 0.210 142 L C 2.175 179.049 176.870 0.008 0.000 1.073 142 L CA 3.514 58.412 54.840 0.097 0.000 0.748 142 L CB -0.455 41.686 42.059 0.137 0.000 0.891 142 L HN 0.056 8.368 8.230 0.137 0.000 0.431 143 L N -1.298 119.951 121.223 0.043 0.000 2.012 143 L HA -0.489 nan 4.340 nan 0.000 0.210 143 L C 2.792 179.598 176.870 -0.108 0.000 1.073 143 L CA 3.123 57.962 54.840 -0.003 0.000 0.748 143 L CB -0.589 41.504 42.059 0.057 0.000 0.891 143 L HN -0.121 8.182 8.230 0.123 0.000 0.431 144 D N -0.400 119.913 120.400 -0.146 0.000 2.178 144 D HA -0.200 nan 4.640 nan 0.000 0.201 144 D C 1.451 177.555 176.300 -0.327 0.000 0.980 144 D CA 2.741 56.617 54.000 -0.207 0.000 0.842 144 D CB -0.407 40.277 40.800 -0.194 0.000 0.948 144 D HN 0.073 8.385 8.370 -0.096 0.000 0.472 145 N N -3.140 115.262 118.700 -0.498 0.000 2.251 145 N HA 0.154 nan 4.740 nan 0.000 0.217 145 N C -0.068 175.095 175.510 -0.578 0.000 1.124 145 N CA -0.027 52.683 53.050 -0.566 0.000 0.843 145 N CB 0.640 38.563 38.487 -0.940 0.000 1.024 145 N HN -0.407 7.539 8.380 -0.515 0.125 0.501 146 G N -2.525 106.016 108.800 -0.432 0.000 2.143 146 G HA2 -0.314 nan 3.960 nan 0.000 0.248 146 G HA3 -0.314 nan 3.960 nan 0.000 0.248 146 G C 0.135 174.739 174.900 -0.494 0.000 0.991 146 G CA 0.510 45.344 45.100 -0.442 0.000 0.689 146 G HN -0.485 7.545 8.290 -0.316 0.070 0.522 147 Y N 0.579 120.835 120.300 -0.073 0.000 2.845 147 Y HA 0.172 nan 4.550 nan 0.000 0.385 147 Y C -0.333 175.582 175.900 0.024 0.000 1.133 147 Y CA -2.758 55.349 58.100 0.011 0.000 1.660 147 Y CB -2.287 36.220 38.460 0.078 0.000 1.683 147 Y HN 0.045 8.231 8.280 -0.157 0.000 0.503 148 T N 2.797 117.388 114.554 0.063 0.000 2.720 148 T HA -0.396 nan 4.350 nan 0.000 0.268 148 T C 1.486 176.229 174.700 0.071 0.000 1.037 148 T CA 4.916 67.042 62.100 0.042 0.000 1.144 148 T CB -0.507 68.352 68.868 -0.015 0.000 0.864 148 T HN -0.388 7.774 8.240 -0.014 0.069 0.444 149 S N 2.092 117.841 115.700 0.081 0.000 2.359 149 S HA -0.388 nan 4.470 nan 0.000 0.224 149 S C 1.411 176.058 174.600 0.078 0.000 1.035 149 S CA 3.210 61.452 58.200 0.070 0.000 1.018 149 S CB -0.506 62.734 63.200 0.067 0.000 0.876 149 S HN 0.075 8.436 8.310 0.086 0.000 0.448 150 A N 1.503 124.397 122.820 0.124 0.000 1.933 150 A HA -0.199 nan 4.320 nan 0.000 0.218 150 A C 1.687 179.363 177.584 0.154 0.000 1.175 150 A CA 2.540 54.634 52.037 0.095 0.000 0.628 150 A CB -1.019 18.117 19.000 0.228 0.000 0.814 150 A HN -0.399 7.858 8.150 0.178 0.000 0.444 151 A N -3.260 119.688 122.820 0.213 0.000 1.898 151 A HA -0.317 nan 4.320 nan 0.000 0.216 151 A C 1.820 179.569 177.584 0.275 0.000 1.181 151 A CA 3.294 55.511 52.037 0.300 0.000 0.620 151 A CB -0.388 18.781 19.000 0.282 0.000 0.819 151 A HN -0.347 7.923 8.150 0.199 0.000 0.442 152 T N -4.444 110.199 114.554 0.149 0.000 2.896 152 T HA -0.155 nan 4.350 nan 0.000 0.263 152 T C 2.027 176.843 174.700 0.194 0.000 1.050 152 T CA 2.709 64.893 62.100 0.140 0.000 1.140 152 T CB -0.231 68.662 68.868 0.041 0.000 0.877 152 T HN 0.120 8.426 8.240 0.111 0.000 0.457 153 E N -0.644 119.623 120.200 0.111 0.000 2.340 153 E HA 0.027 nan 4.350 nan 0.000 0.194 153 E C 0.614 177.224 176.600 0.016 0.000 0.996 153 E CA 1.860 58.297 56.400 0.060 0.000 0.869 153 E CB 0.936 30.644 29.700 0.013 0.000 0.835 153 E HN -0.120 8.293 8.360 0.088 0.000 0.493 154 I N -3.089 117.484 120.570 0.004 0.000 3.196 154 I HA -0.044 nan 4.170 nan 0.000 0.248 154 I C 1.157 177.321 176.117 0.078 0.000 1.105 154 I CA 1.974 63.236 61.300 -0.064 0.000 1.482 154 I CB 1.966 39.771 38.000 -0.324 0.000 1.400 154 I HN -0.653 7.583 8.210 0.044 0.000 0.464 155 V N 0.094 120.136 119.914 0.214 0.000 2.261 155 V HA -0.404 nan 4.120 nan 0.000 0.246 155 V C 1.302 177.650 176.094 0.424 0.000 1.047 155 V CA 4.947 67.450 62.300 0.339 0.000 1.015 155 V CB -0.610 31.482 31.823 0.448 0.000 0.642 155 V HN -0.401 7.915 8.190 0.210 0.000 0.446 156 W N -0.465 121.048 121.300 0.355 0.000 2.317 156 W HA -0.316 nan 4.660 nan 0.000 0.318 156 W C -1.686 174.955 176.519 0.204 0.000 1.227 156 W CA 4.228 61.772 57.345 0.331 0.000 1.269 156 W CB -2.453 27.068 29.460 0.101 0.000 1.155 156 W HN 0.286 8.837 8.180 0.618 0.000 0.484 157 P HA -0.292 nan 4.420 nan 0.000 0.216 157 P C 1.523 178.688 177.300 -0.226 0.000 1.150 157 P CA 3.276 66.161 63.100 -0.359 0.000 0.837 157 P CB -0.487 31.127 31.700 -0.144 0.000 0.786 158 L N -3.060 118.116 121.223 -0.078 0.000 2.027 158 L HA -0.304 nan 4.340 nan 0.000 0.206 158 L C 2.134 178.993 176.870 -0.018 0.000 1.074 158 L CA 3.119 57.940 54.840 -0.032 0.000 0.745 158 L CB -0.304 41.763 42.059 0.013 0.000 0.898 158 L HN -0.861 7.350 8.230 -0.013 0.011 0.433 159 V N -0.541 119.389 119.914 0.026 0.000 2.343 159 V HA -0.506 nan 4.120 nan 0.000 0.247 159 V C 1.929 178.018 176.094 -0.009 0.000 1.051 159 V CA 4.331 66.682 62.300 0.086 0.000 1.036 159 V CB -1.031 30.960 31.823 0.280 0.000 0.654 159 V HN 0.049 8.287 8.190 0.080 0.000 0.451 160 R N -1.048 119.250 120.500 -0.336 0.000 2.105 160 R HA -0.487 nan 4.340 nan 0.000 0.239 160 R C 1.955 178.204 176.300 -0.085 0.000 1.135 160 R CA 3.899 59.764 56.100 -0.392 0.000 0.967 160 R CB -0.303 29.453 30.300 -0.906 0.000 0.861 160 R HN 0.501 8.469 8.270 -0.503 0.000 0.442 161 N N -1.182 117.473 118.700 -0.075 0.000 2.058 161 N HA -0.274 nan 4.740 nan 0.000 0.191 161 N C 2.266 177.874 175.510 0.164 0.000 1.037 161 N CA 3.151 56.230 53.050 0.048 0.000 0.848 161 N CB -0.721 37.830 38.487 0.107 0.000 1.021 161 N HN -0.599 7.697 8.380 -0.122 0.011 0.422 162 D N 0.876 121.365 120.400 0.149 0.000 2.144 162 D HA -0.197 nan 4.640 nan 0.000 0.199 162 D C 2.467 178.930 176.300 0.273 0.000 0.984 162 D CA 3.317 57.438 54.000 0.201 0.000 0.834 162 D CB -0.124 40.753 40.800 0.129 0.000 0.955 162 D HN -0.748 7.677 8.370 0.092 0.000 0.465 163 L N -1.363 120.018 121.223 0.263 0.000 2.083 163 L HA -0.388 nan 4.340 nan 0.000 0.209 163 L C 2.144 179.275 176.870 0.436 0.000 1.083 163 L CA 3.218 58.276 54.840 0.364 0.000 0.752 163 L CB -0.293 42.014 42.059 0.413 0.000 0.899 163 L HN 0.288 8.645 8.230 0.211 0.000 0.433 164 S N -0.223 115.613 115.700 0.227 0.000 2.383 164 S HA -0.328 nan 4.470 nan 0.000 0.227 164 S C 1.788 176.380 174.600 -0.013 0.000 1.026 164 S CA 4.045 62.072 58.200 -0.288 0.000 0.981 164 S CB -0.308 62.337 63.200 -0.925 0.000 0.818 164 S HN -0.370 8.049 8.310 0.182 0.000 0.472 165 Y N 2.614 123.021 120.300 0.179 0.000 2.145 165 Y HA -0.451 nan 4.550 nan 0.000 0.286 165 Y C 1.380 177.486 175.900 0.343 0.000 1.145 165 Y CA 3.974 62.302 58.100 0.380 0.000 1.148 165 Y CB 0.165 38.857 38.460 0.386 0.000 0.981 165 Y HN -0.511 7.928 8.280 0.402 0.081 0.507 166 V N -1.442 118.746 119.914 0.457 0.000 2.287 166 V HA -0.595 nan 4.120 nan 0.000 0.248 166 V C 1.899 178.199 176.094 0.343 0.000 1.053 166 V CA 4.197 66.727 62.300 0.384 0.000 1.027 166 V CB -1.180 30.839 31.823 0.327 0.000 0.646 166 V HN -0.263 8.224 8.190 0.495 0.000 0.447 167 A N -3.080 119.930 122.820 0.317 0.000 1.969 167 A HA -0.352 nan 4.320 nan 0.000 0.218 167 A C 2.255 179.964 177.584 0.208 0.000 1.169 167 A CA 3.019 55.275 52.037 0.366 0.000 0.635 167 A CB -0.612 18.638 19.000 0.417 0.000 0.810 167 A HN -0.133 8.208 8.150 0.319 0.000 0.445 168 Q N -1.483 118.267 119.800 -0.083 0.000 2.212 168 Q HA -0.179 nan 4.340 nan 0.000 0.199 168 Q C 1.233 176.874 176.000 -0.598 0.000 0.950 168 Q CA 2.528 58.069 55.803 -0.437 0.000 0.863 168 Q CB 0.672 28.963 28.738 -0.744 0.000 0.944 168 Q HN -0.400 7.807 8.270 -0.064 0.025 0.465 169 Y N -4.848 115.323 120.300 -0.215 0.000 2.588 169 Y HA 0.229 nan 4.550 nan 0.000 0.247 169 Y C 0.540 176.350 175.900 -0.149 0.000 1.157 169 Y CA -1.051 56.884 58.100 -0.275 0.000 1.215 169 Y CB 0.399 38.585 38.460 -0.456 0.000 1.245 169 Y HN -0.441 7.761 8.280 -0.129 0.000 0.534 170 W N 1.310 122.660 121.300 0.084 0.000 2.350 170 W HA -0.358 nan 4.660 nan 0.000 0.289 170 W C -0.706 175.877 176.519 0.107 0.000 1.215 170 W CA 2.401 59.819 57.345 0.121 0.000 1.236 170 W CB -1.345 28.192 29.460 0.127 0.000 1.130 170 W HN -0.621 7.705 8.180 0.243 0.000 0.541 171 N N -0.267 117.891 118.700 -0.903 0.000 2.375 171 N HA 0.031 nan 4.740 nan 0.000 0.220 171 N C -0.797 174.466 175.510 -0.412 0.000 1.170 171 N CA 0.098 52.573 53.050 -0.959 0.000 0.833 171 N CB -0.070 37.419 38.487 -1.663 0.000 1.069 171 N HN -0.079 7.493 8.380 -1.309 0.022 0.479 172 Q N -1.466 118.233 119.800 -0.168 0.000 2.377 172 Q HA 0.282 nan 4.340 nan 0.000 0.271 172 Q C -0.679 175.332 176.000 0.017 0.000 1.077 172 Q CA -1.415 54.346 55.803 -0.069 0.000 0.820 172 Q CB 3.061 31.790 28.738 -0.014 0.000 1.347 172 Q HN -0.551 7.570 8.270 -0.085 0.098 0.444 173 T N -0.912 113.647 114.554 0.009 0.000 2.802 173 T HA 0.390 nan 4.350 nan 0.000 0.305 173 T C -0.557 174.161 174.700 0.031 0.000 1.053 173 T CA -1.035 61.085 62.100 0.032 0.000 1.058 173 T CB 0.727 69.590 68.868 -0.008 0.000 0.988 173 T HN 0.142 8.370 8.240 -0.020 0.000 0.539 174 G N -0.499 108.311 108.800 0.016 0.000 2.430 174 G HA2 0.492 nan 3.960 nan 0.000 0.300 174 G HA3 0.492 nan 3.960 nan 0.000 0.300 174 G C -2.828 172.048 174.900 -0.041 0.000 1.330 174 G CA 0.780 45.905 45.100 0.042 0.000 0.813 174 G HN -0.096 8.198 8.290 0.007 0.000 0.487 175 Y N -0.905 119.449 120.300 0.090 0.000 2.301 175 Y HA 0.219 nan 4.550 nan 0.000 0.328 175 Y C 0.078 176.032 175.900 0.090 0.000 1.242 175 Y CA 0.604 58.750 58.100 0.077 0.000 1.323 175 Y CB 1.081 39.574 38.460 0.055 0.000 1.266 175 Y HN 0.297 8.814 8.280 0.395 0.000 0.527 176 D N -0.540 119.978 120.400 0.196 0.000 2.414 176 D HA -0.014 nan 4.640 nan 0.000 0.251 176 D C 1.479 177.826 176.300 0.077 0.000 1.252 176 D CA -0.943 53.120 54.000 0.105 0.000 0.999 176 D CB 1.050 41.869 40.800 0.031 0.000 1.093 176 D HN -0.264 8.221 8.370 0.192 0.000 0.515 177 L N -7.681 113.472 121.223 -0.117 0.000 2.265 177 L HA -0.085 nan 4.340 nan 0.000 0.215 177 L C 0.195 177.047 176.870 -0.030 0.000 1.117 177 L CA 2.184 56.898 54.840 -0.211 0.000 0.782 177 L CB -0.578 41.059 42.059 -0.704 0.000 0.914 177 L HN 0.258 8.376 8.230 -0.188 0.000 0.441 178 W N -4.308 117.006 121.300 0.023 0.000 3.256 178 W HA -0.043 nan 4.660 nan 0.000 0.269 178 W C -0.651 175.871 176.519 0.005 0.000 1.310 178 W CA -1.491 55.853 57.345 -0.000 0.000 1.673 178 W CB 0.470 29.920 29.460 -0.016 0.000 1.115 178 W HN -0.960 7.329 8.180 -0.090 -0.163 0.686 179 E N -5.576 114.769 120.200 0.242 0.000 2.637 179 E HA -0.535 nan 4.350 nan 0.000 0.265 179 E C -0.532 176.100 176.600 0.053 0.000 1.073 179 E CA 1.362 57.830 56.400 0.113 0.000 0.778 179 E CB -2.826 26.881 29.700 0.011 0.000 1.362 179 E HN 0.111 8.408 8.360 0.228 0.200 0.413 180 E N -5.219 115.112 120.200 0.219 0.000 2.444 180 E HA 0.150 nan 4.350 nan 0.000 0.209 180 E C -0.229 176.520 176.600 0.249 0.000 0.806 180 E CA 0.513 57.024 56.400 0.185 0.000 1.240 180 E CB 2.492 32.258 29.700 0.111 0.000 1.238 180 E HN -0.139 8.693 8.360 0.257 -0.318 0.591 181 V N 1.407 121.427 119.914 0.177 0.000 2.350 181 V HA 0.101 nan 4.120 nan 0.000 0.276 181 V C -1.633 174.331 176.094 -0.215 0.000 1.028 181 V CA -1.096 61.210 62.300 0.009 0.000 0.860 181 V CB 0.080 31.896 31.823 -0.012 0.000 0.990 181 V HN 0.039 8.744 8.190 0.191 -0.400 0.453 182 N N 7.902 126.329 118.700 -0.456 0.000 2.439 182 N HA 0.166 nan 4.740 nan 0.000 0.243 182 N C -0.429 174.927 175.510 -0.256 0.000 1.088 182 N CA 0.293 52.914 53.050 -0.714 0.000 0.940 182 N CB 0.327 38.355 38.487 -0.766 0.000 1.180 182 N HN 0.444 8.657 8.380 -0.278 0.000 0.505 183 G N 4.800 113.519 108.800 -0.134 0.000 2.619 183 G HA2 0.238 nan 3.960 nan 0.000 0.146 183 G HA3 0.238 nan 3.960 nan 0.000 0.146 183 G C -2.963 172.016 174.900 0.131 0.000 1.192 183 G CA 0.362 45.476 45.100 0.024 0.000 1.063 183 G HN 0.434 8.633 8.290 -0.152 0.000 0.538 184 S N 0.634 116.502 115.700 0.279 0.000 2.561 184 S HA 0.434 nan 4.470 nan 0.000 0.303 184 S C -1.680 173.230 174.600 0.517 0.000 1.110 184 S CA -1.721 56.748 58.200 0.447 0.000 1.034 184 S CB 1.155 64.740 63.200 0.641 0.000 1.010 184 S HN -0.292 8.198 8.310 0.300 0.000 0.482 185 S N 7.151 123.081 115.700 0.383 0.000 2.482 185 S HA 0.509 nan 4.470 nan 0.000 0.303 185 S C -0.087 174.465 174.600 -0.079 0.000 1.091 185 S CA -2.427 55.904 58.200 0.218 0.000 1.057 185 S CB 1.692 64.971 63.200 0.132 0.000 1.031 185 S HN 0.257 8.775 8.310 0.346 0.000 0.485 186 F N 9.433 129.098 119.950 -0.476 0.000 2.043 186 F HA -0.377 nan 4.527 nan 0.000 0.297 186 F C 0.571 176.114 175.800 -0.428 0.000 1.121 186 F CA 4.126 61.587 58.000 -0.900 0.000 1.199 186 F CB 0.429 39.013 39.000 -0.692 0.000 0.968 186 F HN 0.747 9.057 8.300 0.018 0.000 0.478 187 F N -1.332 118.412 119.950 -0.344 0.000 2.091 187 F HA -0.509 nan 4.527 nan 0.000 0.299 187 F C 1.217 176.817 175.800 -0.333 0.000 1.103 187 F CA 4.562 62.364 58.000 -0.329 0.000 1.228 187 F CB -0.396 38.500 39.000 -0.174 0.000 0.984 187 F HN -0.449 8.205 8.300 0.200 -0.234 0.477 188 T N 1.762 116.247 114.554 -0.115 0.000 2.674 188 T HA -0.403 nan 4.350 nan 0.000 0.265 188 T C 2.219 176.797 174.700 -0.203 0.000 1.039 188 T CA 4.930 66.962 62.100 -0.112 0.000 1.150 188 T CB -0.560 68.368 68.868 0.100 0.000 0.864 188 T HN -0.160 8.124 8.240 0.073 0.000 0.427 189 I N 0.758 121.196 120.570 -0.220 0.000 2.226 189 I HA -0.390 nan 4.170 nan 0.000 0.245 189 I C 1.556 177.476 176.117 -0.329 0.000 1.100 189 I CA 1.883 63.086 61.300 -0.162 0.000 1.374 189 I CB -1.682 36.244 38.000 -0.123 0.000 1.057 189 I HN -0.049 8.011 8.210 -0.250 0.000 0.413 190 A N -0.052 122.389 122.820 -0.632 0.000 1.877 190 A HA -0.260 nan 4.320 nan 0.000 0.216 190 A C 2.257 179.570 177.584 -0.452 0.000 1.186 190 A CA 3.634 55.310 52.037 -0.601 0.000 0.620 190 A CB -0.589 17.852 19.000 -0.932 0.000 0.822 190 A HN 0.283 7.931 8.150 -0.836 0.000 0.443 191 V N -5.241 114.331 119.914 -0.569 0.000 2.667 191 V HA -0.376 nan 4.120 nan 0.000 0.252 191 V C 2.034 177.928 176.094 -0.334 0.000 1.065 191 V CA 2.909 64.902 62.300 -0.512 0.000 1.083 191 V CB -1.455 29.965 31.823 -0.670 0.000 0.692 191 V HN 0.012 7.776 8.190 -0.709 0.000 0.468 192 Q N 0.410 120.074 119.800 -0.227 0.000 2.083 192 Q HA -0.362 nan 4.340 nan 0.000 0.198 192 Q C 1.935 177.864 176.000 -0.119 0.000 0.969 192 Q CA 3.466 59.214 55.803 -0.093 0.000 0.838 192 Q CB -0.238 28.516 28.738 0.027 0.000 0.900 192 Q HN -0.147 7.951 8.270 -0.254 0.020 0.436 193 H N 0.488 119.423 119.070 -0.225 0.000 2.319 193 H HA -0.350 nan 4.556 nan 0.000 0.299 193 H C 1.771 176.944 175.328 -0.258 0.000 1.092 193 H CA 3.821 59.745 56.048 -0.206 0.000 1.302 193 H CB 0.512 30.171 29.762 -0.171 0.000 1.373 193 H HN -0.194 8.038 8.280 -0.080 0.000 0.497 194 R N -1.071 119.074 120.500 -0.592 0.000 2.083 194 R HA -0.435 nan 4.340 nan 0.000 0.237 194 R C 1.863 177.839 176.300 -0.541 0.000 1.137 194 R CA 3.352 58.858 56.100 -0.991 0.000 0.951 194 R CB -0.166 29.405 30.300 -1.214 0.000 0.851 194 R HN -0.355 7.662 8.270 -0.422 0.000 0.434 195 A N -0.872 121.743 122.820 -0.342 0.000 1.908 195 A HA -0.267 nan 4.320 nan 0.000 0.218 195 A C 2.572 180.108 177.584 -0.080 0.000 1.181 195 A CA 2.985 54.926 52.037 -0.159 0.000 0.627 195 A CB -0.883 18.069 19.000 -0.081 0.000 0.818 195 A HN -0.201 7.743 8.150 -0.344 0.000 0.445 196 L N -2.889 118.273 121.223 -0.101 0.000 2.083 196 L HA -0.415 nan 4.340 nan 0.000 0.209 196 L C 2.383 179.215 176.870 -0.063 0.000 1.083 196 L CA 2.977 57.787 54.840 -0.049 0.000 0.752 196 L CB -0.439 41.590 42.059 -0.049 0.000 0.899 196 L HN -0.397 7.744 8.230 -0.149 0.000 0.433 197 V N -0.632 119.209 119.914 -0.121 0.000 2.261 197 V HA -0.507 nan 4.120 nan 0.000 0.246 197 V C 2.085 178.220 176.094 0.068 0.000 1.047 197 V CA 4.560 66.849 62.300 -0.019 0.000 1.015 197 V CB -0.748 31.111 31.823 0.060 0.000 0.642 197 V HN -0.307 7.738 8.190 -0.242 0.000 0.446 198 E N -1.489 118.767 120.200 0.093 0.000 2.274 198 E HA -0.267 nan 4.350 nan 0.000 0.194 198 E C 2.508 179.187 176.600 0.132 0.000 0.996 198 E CA 2.527 59.006 56.400 0.132 0.000 0.840 198 E CB -0.767 29.023 29.700 0.150 0.000 0.772 198 E HN 0.006 8.385 8.360 0.032 0.000 0.491 199 G N 0.151 109.017 108.800 0.110 0.000 2.402 199 G HA2 -0.284 nan 3.960 nan 0.000 0.216 199 G HA3 -0.284 nan 3.960 nan 0.000 0.216 199 G C 1.342 176.327 174.900 0.142 0.000 1.162 199 G CA 1.847 47.062 45.100 0.192 0.000 0.777 199 G HN 0.223 8.440 8.290 0.058 0.108 0.539 200 S N 2.029 117.746 115.700 0.028 0.000 2.368 200 S HA -0.294 nan 4.470 nan 0.000 0.224 200 S C 1.750 176.315 174.600 -0.058 0.000 1.029 200 S CA 3.328 61.492 58.200 -0.060 0.000 0.988 200 S CB -0.347 62.807 63.200 -0.077 0.000 0.838 200 S HN -0.277 8.046 8.310 0.021 0.000 0.462 201 A N 1.442 124.269 122.820 0.011 0.000 1.902 201 A HA -0.217 nan 4.320 nan 0.000 0.217 201 A C 1.748 179.344 177.584 0.019 0.000 1.181 201 A CA 2.922 54.966 52.037 0.011 0.000 0.623 201 A CB -0.928 18.106 19.000 0.058 0.000 0.818 201 A HN -0.613 7.564 8.150 0.045 0.000 0.443 202 F N -0.028 119.879 119.950 -0.071 0.000 2.146 202 F HA -0.419 nan 4.527 nan 0.000 0.298 202 F C 1.051 176.679 175.800 -0.286 0.000 1.096 202 F CA 2.113 60.061 58.000 -0.087 0.000 1.275 202 F CB 0.056 39.079 39.000 0.037 0.000 1.008 202 F HN -0.129 8.318 8.300 0.246 0.000 0.480 203 A N -1.242 121.292 122.820 -0.478 0.000 1.908 203 A HA -0.426 nan 4.320 nan 0.000 0.218 203 A C 1.907 179.043 177.584 -0.748 0.000 1.181 203 A CA 3.463 54.868 52.037 -1.053 0.000 0.627 203 A CB -0.989 17.538 19.000 -0.788 0.000 0.818 203 A HN 0.219 8.279 8.150 -0.150 0.000 0.445 204 T N 0.657 114.951 114.554 -0.432 0.000 2.746 204 T HA -0.328 nan 4.350 nan 0.000 0.267 204 T C 2.456 176.965 174.700 -0.319 0.000 1.039 204 T CA 4.833 66.745 62.100 -0.314 0.000 1.142 204 T CB -0.533 68.219 68.868 -0.195 0.000 0.866 204 T HN -0.364 7.678 8.240 -0.330 0.000 0.444 205 A N 1.331 123.957 122.820 -0.323 0.000 1.978 205 A HA -0.030 nan 4.320 nan 0.000 0.220 205 A C 1.597 178.961 177.584 -0.366 0.000 1.170 205 A CA 2.724 54.592 52.037 -0.281 0.000 0.636 205 A CB -0.348 18.537 19.000 -0.190 0.000 0.810 205 A HN -0.155 7.744 8.150 -0.302 0.070 0.448 206 V N -9.534 110.031 119.914 -0.583 0.000 3.633 206 V HA 0.219 nan 4.120 nan 0.000 0.283 206 V C 0.320 176.168 176.094 -0.409 0.000 1.305 206 V CA -1.208 60.773 62.300 -0.533 0.000 1.153 206 V CB -1.373 30.004 31.823 -0.744 0.000 0.950 206 V HN -0.625 7.093 8.190 -0.754 0.019 0.432 207 G N 0.273 108.856 108.800 -0.363 0.000 2.136 207 G HA2 -0.401 nan 3.960 nan 0.000 0.242 207 G HA3 -0.401 nan 3.960 nan 0.000 0.242 207 G C -0.923 173.820 174.900 -0.262 0.000 0.989 207 G CA 0.440 45.388 45.100 -0.255 0.000 0.682 207 G HN -0.186 7.688 8.290 -0.375 0.191 0.522 208 S N -0.785 114.670 115.700 -0.410 0.000 2.788 208 S HA 0.438 nan 4.470 nan 0.000 0.291 208 S C -1.689 172.721 174.600 -0.317 0.000 1.061 208 S CA -1.375 56.624 58.200 -0.334 0.000 0.923 208 S CB 1.217 64.149 63.200 -0.446 0.000 1.339 208 S HN 0.093 8.070 8.310 -0.554 0.000 0.591 209 S N -0.612 114.948 115.700 -0.234 0.000 2.588 209 S HA 0.147 nan 4.470 nan 0.000 0.269 209 S C -1.996 172.452 174.600 -0.254 0.000 1.157 209 S CA -0.225 57.842 58.200 -0.222 0.000 0.824 209 S CB 2.766 65.889 63.200 -0.129 0.000 1.126 209 S HN 0.174 8.427 8.310 -0.096 0.000 0.464 210 C N 3.987 123.050 119.300 -0.395 0.000 3.328 210 C HA 0.347 nan 4.460 nan 0.000 0.230 210 C C 1.264 175.836 174.990 -0.697 0.000 1.232 210 C CA -1.504 57.018 59.018 -0.828 0.000 1.431 210 C CB -0.376 27.007 27.740 -0.595 0.000 1.818 210 C HN 0.671 8.714 8.230 -0.312 0.000 0.484 211 S N 5.282 120.697 115.700 -0.475 0.000 2.383 211 S HA -0.250 nan 4.470 nan 0.000 0.229 211 S C 1.032 175.618 174.600 -0.023 0.000 1.030 211 S CA 3.579 61.703 58.200 -0.127 0.000 1.002 211 S CB 0.142 63.380 63.200 0.063 0.000 0.829 211 S HN 0.637 8.680 8.310 -0.445 0.000 0.467 212 W N -1.719 119.612 121.300 0.051 0.000 2.425 212 W HA 0.045 nan 4.660 nan 0.000 0.277 212 W C 1.045 177.600 176.519 0.061 0.000 1.231 212 W CA 1.247 58.623 57.345 0.051 0.000 1.248 212 W CB -1.476 28.003 29.460 0.031 0.000 1.117 212 W HN -0.385 7.769 8.180 -0.026 0.010 0.568 213 C N 1.517 120.659 119.300 -0.263 0.000 2.453 213 C HA -0.438 nan 4.460 nan 0.000 0.277 213 C C 2.194 177.152 174.990 -0.054 0.000 1.262 213 C CA 4.284 63.225 59.018 -0.129 0.000 1.718 213 C CB -1.464 26.145 27.740 -0.217 0.000 2.031 213 C HN -0.521 7.142 8.230 -0.754 0.114 0.480 214 D N 0.077 120.430 120.400 -0.080 0.000 2.117 214 D HA -0.207 nan 4.640 nan 0.000 0.197 214 D C 1.493 177.805 176.300 0.020 0.000 0.987 214 D CA 3.008 56.989 54.000 -0.030 0.000 0.829 214 D CB -0.530 40.243 40.800 -0.045 0.000 0.961 214 D HN -0.327 7.950 8.370 -0.154 0.000 0.460 215 S N -2.247 113.485 115.700 0.054 0.000 2.387 215 S HA -0.163 nan 4.470 nan 0.000 0.226 215 S C 2.019 176.679 174.600 0.099 0.000 1.026 215 S CA 2.210 60.461 58.200 0.085 0.000 0.972 215 S CB 0.973 64.242 63.200 0.114 0.000 0.814 215 S HN -0.258 8.087 8.310 0.058 0.000 0.477 216 Q N 0.609 120.475 119.800 0.110 0.000 2.212 216 Q HA -0.034 nan 4.340 nan 0.000 0.199 216 Q C 2.153 178.109 176.000 -0.074 0.000 0.950 216 Q CA 1.191 57.039 55.803 0.076 0.000 0.863 216 Q CB -0.186 28.656 28.738 0.174 0.000 0.944 216 Q HN -0.571 7.772 8.270 0.121 0.000 0.465 217 A N 0.425 123.232 122.820 -0.022 0.000 1.892 217 A HA -0.190 nan 4.320 nan 0.000 0.218 217 A C -0.903 176.743 177.584 0.103 0.000 1.188 217 A CA 5.088 57.137 52.037 0.020 0.000 0.631 217 A CB -2.432 16.570 19.000 0.002 0.000 0.822 217 A HN 0.146 8.300 8.150 0.007 0.000 0.447 218 P HA -0.173 nan 4.420 nan 0.000 0.218 218 P C 1.785 179.091 177.300 0.010 0.000 1.149 218 P CA 2.749 65.887 63.100 0.063 0.000 0.817 218 P CB -0.437 31.299 31.700 0.061 0.000 0.785 219 Q N -2.299 117.483 119.800 -0.030 0.000 2.172 219 Q HA -0.197 nan 4.340 nan 0.000 0.200 219 Q C 2.704 178.543 176.000 -0.269 0.000 0.964 219 Q CA 2.630 58.408 55.803 -0.041 0.000 0.855 219 Q CB -0.698 28.101 28.738 0.101 0.000 0.918 219 Q HN -0.583 7.658 8.270 -0.022 0.016 0.444 220 I N 0.541 120.780 120.570 -0.551 0.000 2.252 220 I HA -0.455 nan 4.170 nan 0.000 0.245 220 I C 1.876 177.889 176.117 -0.174 0.000 1.102 220 I CA 3.958 64.886 61.300 -0.620 0.000 1.385 220 I CB -0.161 37.501 38.000 -0.564 0.000 1.064 220 I HN 0.028 7.960 8.210 -0.463 0.000 0.414 221 L N -0.164 120.957 121.223 -0.170 0.000 2.083 221 L HA -0.358 nan 4.340 nan 0.000 0.209 221 L C 1.665 178.529 176.870 -0.010 0.000 1.083 221 L CA 3.224 57.926 54.840 -0.229 0.000 0.752 221 L CB -0.652 41.206 42.059 -0.334 0.000 0.899 221 L HN -0.214 7.948 8.230 -0.113 0.000 0.433 222 c N -1.466 117.160 118.600 0.044 0.000 2.413 222 c HA -0.373 nan 4.570 nan 0.000 0.276 222 c C 1.743 175.977 174.090 0.239 0.000 1.236 222 c CA 3.944 60.349 56.329 0.127 0.000 1.735 222 c CB -1.894 40.693 42.510 0.127 0.000 2.031 222 c HN -0.263 7.895 8.230 0.007 0.077 0.474 223 Y N 0.052 120.436 120.300 0.139 0.000 2.242 223 Y HA -0.327 nan 4.550 nan 0.000 0.291 223 Y C 1.837 177.971 175.900 0.390 0.000 1.137 223 Y CA 1.500 59.751 58.100 0.251 0.000 1.181 223 Y CB -0.213 38.454 38.460 0.345 0.000 0.989 223 Y HN -0.527 7.932 8.280 0.298 0.000 0.527 224 L N -1.478 119.874 121.223 0.215 0.000 2.187 224 L HA -0.360 nan 4.340 nan 0.000 0.213 224 L C 1.979 179.165 176.870 0.525 0.000 1.100 224 L CA 2.989 58.001 54.840 0.287 0.000 0.765 224 L CB -0.348 41.792 42.059 0.136 0.000 0.904 224 L HN 0.140 8.406 8.230 0.198 0.083 0.437 225 Q N -2.415 117.626 119.800 0.402 0.000 2.226 225 Q HA -0.288 nan 4.340 nan 0.000 0.204 225 Q C 2.537 178.792 176.000 0.425 0.000 0.975 225 Q CA 2.186 58.243 55.803 0.423 0.000 0.866 225 Q CB -1.008 27.880 28.738 0.251 0.000 0.915 225 Q HN -0.329 8.087 8.270 0.295 0.031 0.440 226 S N 0.547 116.434 115.700 0.311 0.000 2.507 226 S HA -0.179 nan 4.470 nan 0.000 0.235 226 S C 0.812 175.546 174.600 0.224 0.000 0.988 226 S CA 2.499 60.838 58.200 0.231 0.000 0.944 226 S CB -0.658 62.619 63.200 0.129 0.000 0.762 226 S HN -0.271 8.068 8.310 0.267 0.131 0.526 227 F N -0.141 119.958 119.950 0.248 0.000 2.661 227 F HA -0.030 nan 4.527 nan 0.000 0.298 227 F C -0.613 175.215 175.800 0.046 0.000 1.137 227 F CA 1.451 59.475 58.000 0.040 0.000 1.454 227 F CB 0.397 39.400 39.000 0.004 0.000 1.103 227 F HN -0.606 8.000 8.300 0.601 0.055 0.577 228 W N -0.313 121.109 121.300 0.204 0.000 2.345 228 W HA -0.138 nan 4.660 nan 0.000 0.308 228 W C -0.352 176.164 176.519 -0.006 0.000 1.273 228 W CA 0.698 58.122 57.345 0.132 0.000 1.243 228 W CB 0.956 30.578 29.460 0.270 0.000 1.260 228 W HN -0.667 7.804 8.180 0.624 0.083 0.509 229 T N -0.871 113.187 114.554 -0.826 0.000 3.067 229 T HA 0.093 nan 4.350 nan 0.000 0.257 229 T C 0.315 174.491 174.700 -0.874 0.000 1.105 229 T CA 0.318 61.956 62.100 -0.771 0.000 1.104 229 T CB 0.927 69.257 68.868 -0.896 0.000 0.925 229 T HN 0.533 8.199 8.240 -0.957 0.000 0.498 230 G N 1.850 109.667 108.800 -1.638 0.000 2.316 230 G HA2 -0.174 nan 3.960 nan 0.000 0.203 230 G HA3 -0.174 nan 3.960 nan 0.000 0.203 230 G C -0.190 174.289 174.900 -0.702 0.000 0.999 230 G CA 0.613 45.194 45.100 -0.864 0.000 0.649 230 G HN 0.022 6.477 8.290 -2.992 0.040 0.489 231 S N 0.623 115.764 115.700 -0.933 0.000 2.663 231 S HA 0.282 nan 4.470 nan 0.000 0.247 231 S C -0.634 173.842 174.600 -0.206 0.000 1.074 231 S CA 0.815 58.808 58.200 -0.344 0.000 0.955 231 S CB 3.157 66.329 63.200 -0.046 0.000 0.901 231 S HN -0.132 7.420 8.310 -1.145 0.071 0.505 232 Y N -4.681 115.257 120.300 -0.604 0.000 2.764 232 Y HA 0.421 nan 4.550 nan 0.000 0.331 232 Y C -2.884 172.922 175.900 -0.156 0.000 1.280 232 Y CA -1.679 56.321 58.100 -0.168 0.000 1.065 232 Y CB 1.078 39.493 38.460 -0.074 0.000 1.319 232 Y HN -0.519 7.050 8.280 -1.185 0.000 0.453 233 I N -0.350 120.317 120.570 0.160 0.000 2.312 233 I HA 0.235 nan 4.170 nan 0.000 0.291 233 I C -0.954 175.111 176.117 -0.086 0.000 1.031 233 I CA -0.831 60.426 61.300 -0.071 0.000 1.293 233 I CB 0.599 38.336 38.000 -0.439 0.000 1.403 233 I HN 0.076 8.839 8.210 0.314 -0.365 0.484 234 L N 8.664 129.784 121.223 -0.172 0.000 2.462 234 L HA -0.214 nan 4.340 nan 0.000 0.272 234 L C -1.272 175.596 176.870 -0.004 0.000 1.166 234 L CA 0.355 55.129 54.840 -0.110 0.000 0.880 234 L CB 0.840 42.705 42.059 -0.324 0.000 1.142 234 L HN 0.555 8.664 8.230 -0.201 0.000 0.473 235 A N 6.131 128.967 122.820 0.026 0.000 1.929 235 A HA -0.145 nan 4.320 nan 0.000 0.216 235 A C -0.950 176.697 177.584 0.104 0.000 1.176 235 A CA 2.320 54.390 52.037 0.054 0.000 0.628 235 A CB 0.577 19.607 19.000 0.051 0.000 0.816 235 A HN 0.460 8.535 8.150 0.056 0.108 0.444 236 N N -6.256 112.468 118.700 0.040 0.000 2.308 236 N HA 0.471 nan 4.740 nan 0.000 0.283 236 N C -1.434 174.035 175.510 -0.068 0.000 1.105 236 N CA -0.482 52.617 53.050 0.080 0.000 0.840 236 N CB 3.029 41.552 38.487 0.060 0.000 1.633 236 N HN -0.618 7.746 8.380 -0.027 0.000 0.476 237 F N 1.554 121.595 119.950 0.152 0.000 2.378 237 F HA 0.041 nan 4.527 nan 0.000 0.325 237 F C 0.445 176.271 175.800 0.043 0.000 1.097 237 F CA 0.369 58.396 58.000 0.045 0.000 1.079 237 F CB 1.233 40.241 39.000 0.014 0.000 1.240 237 F HN 0.565 9.069 8.300 0.340 0.000 0.519 238 D N -2.953 117.583 120.400 0.227 0.000 3.017 238 D HA -0.335 nan 4.640 nan 0.000 0.220 238 D C -1.308 175.026 176.300 0.057 0.000 1.141 238 D CA 1.632 55.698 54.000 0.110 0.000 0.848 238 D CB -1.689 39.160 40.800 0.083 0.000 1.102 238 D HN 0.323 8.858 8.370 0.276 0.000 0.427 239 S N -1.782 113.947 115.700 0.049 0.000 2.566 239 S HA 0.228 nan 4.470 nan 0.000 0.298 239 S C 0.062 174.668 174.600 0.010 0.000 1.083 239 S CA -0.915 57.292 58.200 0.011 0.000 0.978 239 S CB 1.494 64.686 63.200 -0.014 0.000 1.073 239 S HN -0.234 8.094 8.310 0.068 0.024 0.491 240 S N 2.617 118.318 115.700 0.002 0.000 2.556 240 S HA 0.198 nan 4.470 nan 0.000 0.216 240 S C 0.486 175.087 174.600 0.000 0.000 0.970 240 S CA -0.074 58.129 58.200 0.006 0.000 0.912 240 S CB 0.528 63.733 63.200 0.008 0.000 0.790 240 S HN 0.395 8.702 8.310 -0.004 0.000 0.504 241 R N 2.461 122.953 120.500 -0.012 0.000 2.652 241 R HA 0.065 nan 4.340 nan 0.000 0.272 241 R C 0.707 177.005 176.300 -0.005 0.000 1.162 241 R CA -0.094 55.998 56.100 -0.013 0.000 1.199 241 R CB 0.635 30.907 30.300 -0.047 0.000 1.166 241 R HN -0.711 7.479 8.270 -0.022 0.066 0.597 242 S N -0.567 115.126 115.700 -0.012 0.000 2.402 242 S HA -0.176 nan 4.470 nan 0.000 0.229 242 S C 1.090 175.724 174.600 0.057 0.000 1.021 242 S CA 1.862 60.057 58.200 -0.007 0.000 0.974 242 S CB 0.684 63.829 63.200 -0.093 0.000 0.800 242 S HN 0.417 9.073 8.310 -0.018 -0.357 0.484 243 G N -0.258 108.560 108.800 0.029 0.000 2.195 243 G HA2 -0.392 nan 3.960 nan 0.000 0.224 243 G HA3 -0.392 nan 3.960 nan 0.000 0.224 243 G C -0.790 174.168 174.900 0.096 0.000 0.990 243 G CA -0.317 44.837 45.100 0.091 0.000 0.639 243 G HN 0.295 8.568 8.290 -0.009 0.011 0.514 244 K N 3.399 123.752 120.400 -0.079 0.000 2.349 244 K HA 0.016 nan 4.320 nan 0.000 0.288 244 K C -2.179 174.423 176.600 0.005 0.000 1.058 244 K CA 0.663 56.848 56.287 -0.170 0.000 0.953 244 K CB 0.277 32.541 32.500 -0.394 0.000 0.997 244 K HN -0.640 7.474 8.250 -0.124 0.062 0.477 245 D N 2.062 122.519 120.400 0.094 0.000 2.836 245 D HA 0.187 nan 4.640 nan 0.000 0.215 245 D C 0.805 177.248 176.300 0.239 0.000 1.255 245 D CA -0.341 53.806 54.000 0.245 0.000 0.822 245 D CB 3.669 44.609 40.800 0.233 0.000 1.656 245 D HN -0.004 8.406 8.370 0.066 0.000 0.511 246 T N 5.588 120.329 114.554 0.312 0.000 3.077 246 T HA -0.247 nan 4.350 nan 0.000 0.269 246 T C 1.440 176.268 174.700 0.213 0.000 1.146 246 T CA 3.369 65.606 62.100 0.227 0.000 1.091 246 T CB -0.778 68.189 68.868 0.164 0.000 0.892 246 T HN 0.720 9.189 8.240 0.383 0.000 0.533 247 N N 1.136 119.958 118.700 0.203 0.000 2.094 247 N HA -0.332 nan 4.740 nan 0.000 0.191 247 N C 1.540 177.160 175.510 0.183 0.000 1.023 247 N CA 3.384 56.416 53.050 -0.030 0.000 0.857 247 N CB -0.126 38.322 38.487 -0.066 0.000 1.013 247 N HN 0.080 8.907 8.380 0.332 -0.248 0.426 248 T N -1.888 112.765 114.554 0.165 0.000 2.904 248 T HA -0.123 nan 4.350 nan 0.000 0.267 248 T C 2.318 177.131 174.700 0.189 0.000 1.059 248 T CA 3.337 65.510 62.100 0.122 0.000 1.137 248 T CB -0.312 68.427 68.868 -0.214 0.000 0.879 248 T HN -0.108 8.188 8.240 0.119 0.015 0.467 249 L N 2.030 123.343 121.223 0.151 0.000 2.056 249 L HA -0.173 nan 4.340 nan 0.000 0.207 249 L C 1.509 178.496 176.870 0.196 0.000 1.078 249 L CA 2.366 57.289 54.840 0.139 0.000 0.749 249 L CB -0.541 41.556 42.059 0.062 0.000 0.901 249 L HN -0.738 7.356 8.230 0.130 0.213 0.433 250 L N -1.759 119.615 121.223 0.252 0.000 2.083 250 L HA -0.426 nan 4.340 nan 0.000 0.209 250 L C 2.336 179.536 176.870 0.551 0.000 1.083 250 L CA 3.558 58.634 54.840 0.394 0.000 0.752 250 L CB -0.763 41.498 42.059 0.337 0.000 0.899 250 L HN 0.352 8.710 8.230 0.213 0.000 0.433 251 G N -2.281 106.858 108.800 0.565 0.000 2.418 251 G HA2 -0.439 nan 3.960 nan 0.000 0.217 251 G HA3 -0.439 nan 3.960 nan 0.000 0.217 251 G C 1.092 176.151 174.900 0.265 0.000 1.158 251 G CA 2.287 47.601 45.100 0.357 0.000 0.771 251 G HN 0.088 8.700 8.290 0.537 0.000 0.545 252 S N 2.359 118.259 115.700 0.333 0.000 2.345 252 S HA -0.165 nan 4.470 nan 0.000 0.220 252 S C 2.479 177.204 174.600 0.208 0.000 1.031 252 S CA 3.143 61.511 58.200 0.279 0.000 0.996 252 S CB 0.007 63.352 63.200 0.241 0.000 0.882 252 S HN -0.555 7.896 8.310 0.369 0.080 0.445 253 I N -2.106 118.531 120.570 0.112 0.000 2.493 253 I HA -0.256 nan 4.170 nan 0.000 0.254 253 I C 1.904 178.009 176.117 -0.019 0.000 1.160 253 I CA 3.076 64.376 61.300 0.000 0.000 1.445 253 I CB -0.165 37.756 38.000 -0.132 0.000 1.086 253 I HN -0.073 8.210 8.210 0.122 0.000 0.433 254 H N -1.055 118.146 119.070 0.219 0.000 2.547 254 H HA 0.134 nan 4.556 nan 0.000 0.266 254 H C 0.586 175.944 175.328 0.050 0.000 0.988 254 H CA 2.264 58.400 56.048 0.147 0.000 1.147 254 H CB -0.268 29.583 29.762 0.148 0.000 1.365 254 H HN 0.033 8.374 8.280 0.131 0.018 0.589 255 T N -4.443 110.221 114.554 0.182 0.000 3.145 255 T HA 0.164 nan 4.350 nan 0.000 0.281 255 T C -0.408 174.612 174.700 0.534 0.000 1.003 255 T CA -1.814 60.376 62.100 0.150 0.000 0.901 255 T CB -0.006 68.872 68.868 0.017 0.000 1.112 255 T HN -0.588 7.620 8.240 0.221 0.165 0.535 256 F N 4.717 124.833 119.950 0.277 0.000 2.578 256 F HA -0.155 nan 4.527 nan 0.000 0.376 256 F C -2.189 173.795 175.800 0.306 0.000 1.085 256 F CA -0.120 58.025 58.000 0.242 0.000 1.260 256 F CB 0.743 39.808 39.000 0.109 0.000 1.095 256 F HN -0.853 7.547 8.300 0.451 0.171 0.573 257 D N 7.865 128.074 120.400 -0.319 0.000 2.481 257 D HA 0.360 nan 4.640 nan 0.000 0.246 257 D C -0.313 175.501 176.300 -0.810 0.000 1.109 257 D CA -3.665 49.990 54.000 -0.574 0.000 0.845 257 D CB 2.390 42.812 40.800 -0.631 0.000 1.160 257 D HN -0.118 8.567 8.370 0.009 -0.310 0.534 258 P HA -0.173 nan 4.420 nan 0.000 0.223 258 P C 0.131 177.416 177.300 -0.025 0.000 1.144 258 P CA 1.456 64.309 63.100 -0.413 0.000 0.783 258 P CB 0.391 31.902 31.700 -0.315 0.000 0.771 259 E N -2.741 117.377 120.200 -0.136 0.000 2.474 259 E HA -0.036 nan 4.350 nan 0.000 0.194 259 E C -0.501 176.055 176.600 -0.072 0.000 1.041 259 E CA -0.475 55.882 56.400 -0.072 0.000 0.874 259 E CB 0.137 29.767 29.700 -0.116 0.000 0.914 259 E HN -0.199 8.281 8.360 -0.257 -0.274 0.498 260 A N -0.548 122.216 122.820 -0.093 0.000 2.322 260 A HA 0.145 nan 4.320 nan 0.000 0.269 260 A C 0.080 177.687 177.584 0.039 0.000 1.094 260 A CA -0.206 51.798 52.037 -0.056 0.000 0.807 260 A CB 0.948 19.905 19.000 -0.071 0.000 1.047 260 A HN -0.491 7.397 8.150 -0.139 0.178 0.487 261 G N -2.018 106.801 108.800 0.031 0.000 2.510 261 G HA2 0.043 nan 3.960 nan 0.000 0.280 261 G HA3 0.043 nan 3.960 nan 0.000 0.280 261 G C -0.468 174.480 174.900 0.081 0.000 1.386 261 G CA -1.554 43.586 45.100 0.067 0.000 1.047 261 G HN -0.035 8.254 8.290 -0.001 0.000 0.527 262 c N 0.961 119.619 118.600 0.096 0.000 3.025 262 c HA -0.005 nan 4.570 nan 0.000 0.547 262 c C -1.044 173.066 174.090 0.033 0.000 1.058 262 c CA -1.245 55.138 56.329 0.090 0.000 1.164 262 c CB -2.665 39.942 42.510 0.161 0.000 1.405 262 c HN 0.076 8.373 8.230 0.111 0.000 0.610 263 D N 4.731 125.138 120.400 0.013 0.000 2.339 263 D HA 0.014 nan 4.640 nan 0.000 0.256 263 D C 0.199 176.424 176.300 -0.126 0.000 1.214 263 D CA 0.186 54.161 54.000 -0.042 0.000 0.877 263 D CB 0.426 41.211 40.800 -0.025 0.000 1.111 263 D HN -0.240 8.096 8.370 0.039 0.057 0.478 264 D N 4.633 124.903 120.400 -0.216 0.000 2.144 264 D HA -0.217 nan 4.640 nan 0.000 0.200 264 D C 1.490 177.399 176.300 -0.652 0.000 0.978 264 D CA 3.281 57.017 54.000 -0.440 0.000 0.833 264 D CB -0.082 40.465 40.800 -0.423 0.000 0.961 264 D HN 0.402 8.673 8.370 -0.164 0.000 0.470 265 S N -3.708 111.767 115.700 -0.375 0.000 2.419 265 S HA -0.154 nan 4.470 nan 0.000 0.233 265 S C 0.696 175.170 174.600 -0.211 0.000 1.016 265 S CA 2.428 60.447 58.200 -0.302 0.000 0.974 265 S CB 0.078 63.201 63.200 -0.127 0.000 0.786 265 S HN 0.242 8.406 8.310 -0.244 0.000 0.492 266 T N -4.532 109.966 114.554 -0.093 0.000 3.092 266 T HA 0.193 nan 4.350 nan 0.000 0.258 266 T C -0.113 174.805 174.700 0.363 0.000 1.031 266 T CA -1.296 60.918 62.100 0.191 0.000 0.925 266 T CB -0.080 68.947 68.868 0.265 0.000 1.036 266 T HN -0.860 7.293 8.240 -0.116 0.017 0.544 267 F N -0.433 119.593 119.950 0.126 0.000 3.027 267 F HA -0.464 nan 4.527 nan 0.000 0.276 267 F C -0.464 175.427 175.800 0.151 0.000 0.967 267 F CA 0.728 58.810 58.000 0.137 0.000 0.929 267 F CB -2.668 36.498 39.000 0.278 0.000 0.873 267 F HN -0.541 7.279 8.300 -0.466 0.200 0.787 268 Q N -1.177 118.752 119.800 0.215 0.000 2.432 268 Q HA -0.046 nan 4.340 nan 0.000 0.264 268 Q C -0.613 175.467 176.000 0.133 0.000 1.035 268 Q CA -0.276 55.658 55.803 0.218 0.000 0.908 268 Q CB -0.687 28.159 28.738 0.180 0.000 1.280 268 Q HN -0.651 7.690 8.270 0.120 0.000 0.455 269 P HA -0.227 nan 4.420 nan 0.000 0.216 269 P C -0.318 176.880 177.300 -0.170 0.000 1.154 269 P CA 2.573 65.622 63.100 -0.085 0.000 0.865 269 P CB -0.050 31.497 31.700 -0.256 0.000 0.789 270 c N -8.179 110.327 118.600 -0.157 0.000 2.697 270 c HA 0.331 nan 4.570 nan 0.000 0.267 270 c C 0.418 174.536 174.090 0.048 0.000 1.278 270 c CA -2.395 53.842 56.329 -0.153 0.000 1.708 270 c CB -0.919 41.407 42.510 -0.308 0.000 1.860 270 c HN -0.518 7.881 8.230 -0.093 -0.224 0.589 271 S N 3.736 119.447 115.700 0.018 0.000 2.568 271 S HA 0.069 nan 4.470 nan 0.000 0.282 271 S C -0.989 173.607 174.600 -0.006 0.000 1.338 271 S CA -0.636 57.568 58.200 0.006 0.000 1.045 271 S CB -0.362 62.801 63.200 -0.061 0.000 0.873 271 S HN -0.291 7.844 8.310 0.006 0.179 0.516 272 P HA -0.230 nan 4.420 nan 0.000 0.216 272 P C 1.598 178.865 177.300 -0.056 0.000 1.153 272 P CA 2.897 66.014 63.100 0.027 0.000 0.858 272 P CB 0.062 31.781 31.700 0.032 0.000 0.789 273 R N -2.975 117.375 120.500 -0.251 0.000 2.073 273 R HA -0.321 nan 4.340 nan 0.000 0.234 273 R C 2.242 178.540 176.300 -0.003 0.000 1.134 273 R CA 3.547 59.377 56.100 -0.451 0.000 0.952 273 R CB -0.336 29.442 30.300 -0.870 0.000 0.850 273 R HN 0.017 8.424 8.270 -0.293 -0.312 0.433 274 A N -0.438 122.405 122.820 0.039 0.000 1.969 274 A HA -0.151 nan 4.320 nan 0.000 0.218 274 A C 2.310 179.906 177.584 0.020 0.000 1.169 274 A CA 2.842 54.943 52.037 0.107 0.000 0.635 274 A CB -0.766 18.299 19.000 0.108 0.000 0.810 274 A HN -0.471 7.665 8.150 -0.024 0.000 0.445 275 L N -1.828 119.327 121.223 -0.114 0.000 2.072 275 L HA -0.385 nan 4.340 nan 0.000 0.205 275 L C 2.070 178.881 176.870 -0.097 0.000 1.079 275 L CA 2.897 57.495 54.840 -0.403 0.000 0.752 275 L CB -0.374 41.292 42.059 -0.654 0.000 0.906 275 L HN 0.069 8.248 8.230 -0.086 0.000 0.436 276 A N -1.440 121.450 122.820 0.116 0.000 1.902 276 A HA -0.433 nan 4.320 nan 0.000 0.217 276 A C 1.826 179.602 177.584 0.319 0.000 1.181 276 A CA 3.294 55.502 52.037 0.286 0.000 0.623 276 A CB -0.927 18.322 19.000 0.415 0.000 0.818 276 A HN 0.395 8.603 8.150 0.095 0.000 0.443 277 N N -1.706 117.196 118.700 0.336 0.000 2.120 277 N HA -0.362 nan 4.740 nan 0.000 0.188 277 N C 1.624 177.272 175.510 0.229 0.000 1.024 277 N CA 3.041 56.273 53.050 0.304 0.000 0.852 277 N CB 0.024 38.681 38.487 0.283 0.000 1.003 277 N HN -0.320 8.260 8.380 0.333 0.000 0.424 278 H N 0.770 119.912 119.070 0.121 0.000 2.319 278 H HA -0.379 nan 4.556 nan 0.000 0.297 278 H C 1.946 177.417 175.328 0.238 0.000 1.097 278 H CA 4.335 60.462 56.048 0.133 0.000 1.285 278 H CB 0.357 30.160 29.762 0.069 0.000 1.368 278 H HN -0.056 8.306 8.280 0.260 0.075 0.495 279 K N -1.234 119.462 120.400 0.493 0.000 2.057 279 K HA -0.368 nan 4.320 nan 0.000 0.207 279 K C 2.439 179.160 176.600 0.201 0.000 1.049 279 K CA 3.458 59.990 56.287 0.409 0.000 0.931 279 K CB -0.111 32.632 32.500 0.404 0.000 0.714 279 K HN -0.555 8.001 8.250 0.510 0.000 0.440 280 E N -0.889 119.400 120.200 0.147 0.000 2.085 280 E HA -0.329 nan 4.350 nan 0.000 0.194 280 E C 2.730 179.284 176.600 -0.076 0.000 0.994 280 E CA 3.072 59.478 56.400 0.011 0.000 0.801 280 E CB -0.079 29.615 29.700 -0.010 0.000 0.743 280 E HN -0.547 7.936 8.360 0.205 0.000 0.453 281 V N 0.590 120.487 119.914 -0.028 0.000 2.270 281 V HA -0.262 nan 4.120 nan 0.000 0.245 281 V C 2.152 178.276 176.094 0.049 0.000 1.043 281 V CA 4.492 66.771 62.300 -0.035 0.000 1.014 281 V CB -0.489 31.350 31.823 0.026 0.000 0.645 281 V HN 0.251 8.461 8.190 0.034 0.000 0.447 282 V N 0.156 120.119 119.914 0.081 0.000 2.332 282 V HA -0.510 nan 4.120 nan 0.000 0.248 282 V C 2.361 178.576 176.094 0.202 0.000 1.055 282 V CA 4.386 66.810 62.300 0.207 0.000 1.038 282 V CB -1.129 30.811 31.823 0.195 0.000 0.651 282 V HN 0.238 8.436 8.190 0.012 0.000 0.450 283 D N -1.794 118.666 120.400 0.100 0.000 2.218 283 D HA -0.190 nan 4.640 nan 0.000 0.204 283 D C 2.684 178.925 176.300 -0.097 0.000 0.976 283 D CA 3.144 57.164 54.000 0.032 0.000 0.853 283 D CB -0.642 40.168 40.800 0.017 0.000 0.939 283 D HN 0.283 8.714 8.370 0.101 0.000 0.481 284 S N 0.708 116.261 115.700 -0.245 0.000 2.469 284 S HA -0.213 nan 4.470 nan 0.000 0.238 284 S C 0.814 175.000 174.600 -0.690 0.000 0.998 284 S CA 2.830 60.734 58.200 -0.493 0.000 0.957 284 S CB -0.335 62.476 63.200 -0.648 0.000 0.764 284 S HN -0.379 7.678 8.310 -0.206 0.130 0.514 285 F N -1.115 118.708 119.950 -0.211 0.000 2.695 285 F HA 0.242 nan 4.527 nan 0.000 0.303 285 F C 0.385 176.003 175.800 -0.304 0.000 1.091 285 F CA 0.556 58.326 58.000 -0.383 0.000 1.300 285 F CB 0.614 39.427 39.000 -0.312 0.000 1.071 285 F HN -0.674 7.392 8.300 -0.129 0.157 0.578 286 R N -0.485 119.997 120.500 -0.030 0.000 2.096 286 R HA -0.295 nan 4.340 nan 0.000 0.235 286 R C 0.953 177.230 176.300 -0.038 0.000 1.127 286 R CA 3.384 59.484 56.100 0.000 0.000 0.968 286 R CB -0.107 30.203 30.300 0.017 0.000 0.861 286 R HN -0.451 7.617 8.270 -0.050 0.171 0.440 287 S N -3.839 111.806 115.700 -0.092 0.000 2.540 287 S HA 0.046 nan 4.470 nan 0.000 0.218 287 S C 0.662 175.205 174.600 -0.095 0.000 0.977 287 S CA 1.240 59.394 58.200 -0.076 0.000 0.918 287 S CB 0.718 63.875 63.200 -0.072 0.000 0.806 287 S HN -0.051 8.182 8.310 -0.128 0.000 0.496 288 I N -4.686 115.773 120.570 -0.185 0.000 3.783 288 I HA 0.109 nan 4.170 nan 0.000 0.310 288 I C -1.279 174.821 176.117 -0.029 0.000 1.274 288 I CA 0.510 61.702 61.300 -0.180 0.000 1.294 288 I CB 0.990 38.814 38.000 -0.292 0.000 1.051 288 I HN -0.916 7.141 8.210 -0.256 0.000 0.435 289 Y N -0.827 119.472 120.300 -0.002 0.000 2.341 289 Y HA 0.245 nan 4.550 nan 0.000 0.338 289 Y C 1.115 176.999 175.900 -0.026 0.000 0.965 289 Y CA -2.561 55.521 58.100 -0.030 0.000 1.108 289 Y CB 0.585 39.015 38.460 -0.049 0.000 1.180 289 Y HN -0.768 7.482 8.280 -0.050 0.000 0.458 290 T N 7.988 122.619 114.554 0.128 0.000 2.849 290 T HA -0.307 nan 4.350 nan 0.000 0.270 290 T C 2.012 176.745 174.700 0.056 0.000 1.066 290 T CA 4.113 66.249 62.100 0.060 0.000 1.130 290 T CB -0.382 68.501 68.868 0.025 0.000 0.864 290 T HN 0.838 9.149 8.240 0.119 0.000 0.481 291 L N 0.311 121.566 121.223 0.054 0.000 2.191 291 L HA -0.259 nan 4.340 nan 0.000 0.212 291 L C 0.434 177.355 176.870 0.084 0.000 1.103 291 L CA 2.546 57.411 54.840 0.042 0.000 0.769 291 L CB -0.080 41.965 42.059 -0.024 0.000 0.908 291 L HN 0.052 8.287 8.230 0.050 0.025 0.438 292 N N -3.624 115.145 118.700 0.115 0.000 2.336 292 N HA 0.110 nan 4.740 nan 0.000 0.189 292 N C -0.731 174.815 175.510 0.061 0.000 1.113 292 N CA -0.105 53.005 53.050 0.099 0.000 0.858 292 N CB 0.388 38.951 38.487 0.127 0.000 0.970 292 N HN -0.388 7.913 8.380 0.146 0.167 0.471 293 D N 1.088 121.518 120.400 0.050 0.000 2.488 293 D HA -0.198 nan 4.640 nan 0.000 0.238 293 D C 1.539 177.853 176.300 0.023 0.000 1.138 293 D CA 2.041 56.059 54.000 0.030 0.000 0.873 293 D CB -0.015 40.800 40.800 0.024 0.000 1.183 293 D HN -0.617 7.613 8.370 0.056 0.174 0.458 294 G N 2.335 111.145 108.800 0.015 0.000 2.184 294 G HA2 -0.420 nan 3.960 nan 0.000 0.264 294 G HA3 -0.420 nan 3.960 nan 0.000 0.264 294 G C -0.861 174.045 174.900 0.010 0.000 0.975 294 G CA 0.222 45.328 45.100 0.010 0.000 0.642 294 G HN 0.242 8.539 8.290 0.013 0.000 0.536 295 L N 0.964 122.197 121.223 0.016 0.000 2.350 295 L HA 0.202 nan 4.340 nan 0.000 0.275 295 L C -0.137 176.742 176.870 0.014 0.000 1.099 295 L CA -0.581 54.269 54.840 0.016 0.000 0.808 295 L CB 0.608 42.682 42.059 0.025 0.000 1.149 295 L HN -0.691 7.494 8.230 0.022 0.058 0.442 296 S N 2.840 118.544 115.700 0.007 0.000 2.681 296 S HA 0.069 nan 4.470 nan 0.000 0.270 296 S C 0.640 175.242 174.600 0.003 0.000 1.209 296 S CA -0.672 57.527 58.200 -0.002 0.000 0.988 296 S CB 1.801 64.992 63.200 -0.015 0.000 1.006 296 S HN 0.654 9.368 8.310 0.005 -0.401 0.558 297 D N -0.201 120.190 120.400 -0.015 0.000 2.350 297 D HA -0.119 nan 4.640 nan 0.000 0.216 297 D C 0.272 176.519 176.300 -0.089 0.000 0.968 297 D CA 2.678 56.664 54.000 -0.023 0.000 0.894 297 D CB -0.337 40.441 40.800 -0.037 0.000 0.909 297 D HN 0.438 8.796 8.370 -0.021 0.000 0.520 298 S N -3.653 111.983 115.700 -0.107 0.000 2.540 298 S HA 0.014 nan 4.470 nan 0.000 0.218 298 S C 0.192 174.730 174.600 -0.104 0.000 0.977 298 S CA 0.126 58.196 58.200 -0.216 0.000 0.918 298 S CB 0.961 64.064 63.200 -0.162 0.000 0.806 298 S HN -0.756 7.464 8.310 -0.067 0.050 0.496 299 E N 2.041 122.268 120.200 0.045 0.000 2.207 299 E HA 0.191 nan 4.350 nan 0.000 0.270 299 E C -1.368 175.341 176.600 0.182 0.000 0.927 299 E CA -1.351 55.121 56.400 0.120 0.000 0.799 299 E CB 2.686 32.406 29.700 0.032 0.000 1.172 299 E HN -0.520 7.686 8.360 0.031 0.174 0.404 300 A N 2.062 124.828 122.820 -0.089 0.000 2.425 300 A HA 0.002 nan 4.320 nan 0.000 0.242 300 A C -0.635 176.722 177.584 -0.378 0.000 1.077 300 A CA 0.533 52.105 52.037 -0.774 0.000 0.781 300 A CB 0.440 18.603 19.000 -1.395 0.000 1.020 300 A HN 0.142 8.252 8.150 -0.066 0.000 0.494 301 V N -5.044 114.700 119.914 -0.284 0.000 3.160 301 V HA 0.564 nan 4.120 nan 0.000 0.310 301 V C -1.638 174.557 176.094 0.169 0.000 1.181 301 V CA -2.499 59.819 62.300 0.030 0.000 1.047 301 V CB 3.731 35.633 31.823 0.131 0.000 1.068 301 V HN -0.046 7.881 8.190 -0.438 0.000 0.441 302 A N 0.783 123.721 122.820 0.196 0.000 2.450 302 A HA 0.182 nan 4.320 nan 0.000 0.255 302 A C -0.539 177.111 177.584 0.111 0.000 1.096 302 A CA 0.238 52.396 52.037 0.201 0.000 0.778 302 A CB 0.539 19.614 19.000 0.126 0.000 1.031 302 A HN 0.115 8.733 8.150 0.183 -0.358 0.494 303 V N 3.534 123.416 119.914 -0.054 0.000 2.513 303 V HA 0.243 nan 4.120 nan 0.000 0.299 303 V C -0.517 175.155 176.094 -0.703 0.000 1.035 303 V CA -0.865 61.157 62.300 -0.463 0.000 0.889 303 V CB 2.587 34.230 31.823 -0.301 0.000 0.988 303 V HN -0.013 8.201 8.190 0.039 0.000 0.440 304 G N 3.269 111.217 108.800 -1.421 0.000 2.890 304 G HA2 0.577 nan 3.960 nan 0.000 0.189 304 G HA3 0.577 nan 3.960 nan 0.000 0.189 304 G C -0.551 173.878 174.900 -0.785 0.000 1.342 304 G CA -0.868 43.723 45.100 -0.849 0.000 1.026 304 G HN -0.026 6.407 8.290 -3.095 0.000 0.579 305 R N -0.806 119.285 120.500 -0.682 0.000 2.048 305 R HA 0.007 nan 4.340 nan 0.000 0.224 305 R C -0.871 175.522 176.300 0.155 0.000 1.163 305 R CA 3.353 59.108 56.100 -0.574 0.000 0.956 305 R CB 1.842 31.303 30.300 -1.398 0.000 0.849 305 R HN 0.525 8.375 8.270 -0.700 0.000 0.435 306 Y N -9.931 110.440 120.300 0.119 0.000 2.544 306 Y HA 0.487 nan 4.550 nan 0.000 0.342 306 Y C -2.491 173.425 175.900 0.028 0.000 1.062 306 Y CA -4.113 54.057 58.100 0.117 0.000 1.023 306 Y CB 0.599 39.082 38.460 0.037 0.000 1.308 306 Y HN -0.665 7.276 8.280 -0.564 0.000 0.457 307 P HA -0.213 nan 4.420 nan 0.000 0.219 307 P C -0.338 176.899 177.300 -0.106 0.000 1.146 307 P CA 2.128 65.048 63.100 -0.300 0.000 0.808 307 P CB 0.154 31.584 31.700 -0.450 0.000 0.779 308 E N -4.082 116.161 120.200 0.073 0.000 2.489 308 E HA 0.024 nan 4.350 nan 0.000 0.193 308 E C -0.242 176.412 176.600 0.090 0.000 1.057 308 E CA -0.106 56.371 56.400 0.130 0.000 0.866 308 E CB -0.748 29.089 29.700 0.227 0.000 0.916 308 E HN 0.036 8.509 8.360 0.236 0.029 0.500 309 D N 1.163 121.383 120.400 -0.301 0.000 2.493 309 D HA -0.085 nan 4.640 nan 0.000 0.240 309 D C -0.136 176.100 176.300 -0.107 0.000 1.142 309 D CA 1.269 54.968 54.000 -0.502 0.000 0.872 309 D CB 0.923 41.157 40.800 -0.944 0.000 1.173 309 D HN -0.534 7.400 8.370 -0.433 0.176 0.467 310 S N 3.193 118.900 115.700 0.012 0.000 2.733 310 S HA 0.091 nan 4.470 nan 0.000 0.247 310 S C 0.196 174.856 174.600 0.100 0.000 1.043 310 S CA -0.878 57.352 58.200 0.050 0.000 1.066 310 S CB 1.656 64.889 63.200 0.055 0.000 1.045 310 S HN 0.346 8.694 8.310 0.063 0.000 0.586 311 Y N 5.596 125.896 120.300 -0.001 0.000 2.677 311 Y HA -0.262 nan 4.550 nan 0.000 0.335 311 Y C -0.477 175.495 175.900 0.120 0.000 1.162 311 Y CA 1.446 59.575 58.100 0.049 0.000 1.483 311 Y CB -0.259 38.289 38.460 0.147 0.000 1.209 311 Y HN -0.288 8.421 8.280 0.203 -0.308 0.528 312 Y N 4.817 124.935 120.300 -0.303 0.000 4.079 312 Y HA -0.442 nan 4.550 nan 0.000 0.223 312 Y C -0.954 174.834 175.900 -0.186 0.000 1.155 312 Y CA 1.383 59.287 58.100 -0.327 0.000 1.805 312 Y CB -2.519 35.636 38.460 -0.509 0.000 1.571 312 Y HN 0.568 8.575 8.280 -0.455 0.000 0.654 313 N N -5.980 112.702 118.700 -0.030 0.000 2.984 313 N HA -0.238 nan 4.740 nan 0.000 0.227 313 N C -0.631 174.878 175.510 -0.002 0.000 0.903 313 N CA 1.286 54.326 53.050 -0.017 0.000 0.995 313 N CB 0.015 38.484 38.487 -0.029 0.000 1.065 313 N HN 0.341 8.589 8.380 -0.049 0.103 0.585 314 G N -1.699 107.105 108.800 0.006 0.000 3.313 314 G HA2 -0.456 nan 3.960 nan 0.000 0.563 314 G HA3 -0.456 nan 3.960 nan 0.000 0.563 314 G C -2.505 172.380 174.900 -0.024 0.000 1.037 314 G CA 0.286 45.393 45.100 0.011 0.000 0.848 314 G HN -0.029 8.086 8.290 0.022 0.188 0.416 315 N N 1.718 120.346 118.700 -0.119 0.000 2.571 315 N HA 0.540 nan 4.740 nan 0.000 0.273 315 N C -2.515 172.676 175.510 -0.532 0.000 1.340 315 N CA -2.140 50.621 53.050 -0.481 0.000 0.789 315 N CB 3.239 41.430 38.487 -0.493 0.000 1.514 315 N HN -0.250 8.128 8.380 -0.004 0.000 0.499 316 P HA 0.135 nan 4.420 nan 0.000 0.274 316 P C -1.407 175.437 177.300 -0.760 0.000 1.237 316 P CA -0.278 62.252 63.100 -0.949 0.000 0.793 316 P CB 0.598 31.429 31.700 -1.448 0.000 0.977 317 W N -1.723 119.142 121.300 -0.725 0.000 2.666 317 W HA 0.261 nan 4.660 nan 0.000 0.334 317 W C 1.264 177.693 176.519 -0.149 0.000 1.051 317 W CA -1.512 55.573 57.345 -0.434 0.000 1.224 317 W CB 2.445 31.685 29.460 -0.367 0.000 1.405 317 W HN 0.205 8.238 8.180 -0.246 0.000 0.513 318 F N 2.995 123.093 119.950 0.247 0.000 2.134 318 F HA -0.416 nan 4.527 nan 0.000 0.299 318 F C 1.553 177.418 175.800 0.108 0.000 1.097 318 F CA 5.330 63.462 58.000 0.219 0.000 1.264 318 F CB -0.210 38.821 39.000 0.052 0.000 1.001 318 F HN 0.040 8.453 8.300 0.189 0.000 0.479 319 L N -3.035 118.320 121.223 0.220 0.000 2.201 319 L HA -0.238 nan 4.340 nan 0.000 0.212 319 L C 1.583 178.487 176.870 0.058 0.000 1.105 319 L CA 3.375 58.250 54.840 0.059 0.000 0.775 319 L CB -1.254 40.652 42.059 -0.254 0.000 0.913 319 L HN -0.097 8.267 8.230 0.223 0.000 0.440 320 C N -1.425 117.910 119.300 0.058 0.000 2.475 320 C HA -0.174 nan 4.460 nan 0.000 0.279 320 C C 2.237 177.191 174.990 -0.060 0.000 1.322 320 C CA 3.516 62.516 59.018 -0.031 0.000 1.734 320 C CB -1.986 25.658 27.740 -0.161 0.000 2.005 320 C HN -0.088 8.101 8.230 0.129 0.118 0.495 321 T N 3.036 117.601 114.554 0.018 0.000 2.821 321 T HA -0.289 nan 4.350 nan 0.000 0.267 321 T C 1.865 176.575 174.700 0.017 0.000 1.046 321 T CA 4.936 67.067 62.100 0.053 0.000 1.139 321 T CB -0.510 68.502 68.868 0.240 0.000 0.871 321 T HN -0.193 8.098 8.240 0.086 0.000 0.454 322 L N -0.156 121.124 121.223 0.096 0.000 2.093 322 L HA -0.317 nan 4.340 nan 0.000 0.208 322 L C 1.473 178.354 176.870 0.018 0.000 1.085 322 L CA 3.152 58.054 54.840 0.105 0.000 0.755 322 L CB -0.608 41.554 42.059 0.172 0.000 0.904 322 L HN 0.151 8.469 8.230 0.146 0.000 0.435 323 A N -1.120 121.697 122.820 -0.004 0.000 1.933 323 A HA -0.348 nan 4.320 nan 0.000 0.218 323 A C 1.652 179.154 177.584 -0.137 0.000 1.175 323 A CA 3.050 55.073 52.037 -0.023 0.000 0.628 323 A CB -1.209 17.808 19.000 0.029 0.000 0.814 323 A HN -0.154 7.923 8.150 0.017 0.084 0.444 324 A N -2.359 120.273 122.820 -0.313 0.000 1.933 324 A HA -0.283 nan 4.320 nan 0.000 0.218 324 A C 2.075 179.333 177.584 -0.544 0.000 1.175 324 A CA 2.837 54.525 52.037 -0.582 0.000 0.628 324 A CB -0.775 17.468 19.000 -1.261 0.000 0.814 324 A HN -0.362 7.601 8.150 -0.292 0.012 0.444 325 A N -1.427 121.090 122.820 -0.506 0.000 1.898 325 A HA -0.246 nan 4.320 nan 0.000 0.214 325 A C 1.817 179.123 177.584 -0.463 0.000 1.183 325 A CA 2.854 54.639 52.037 -0.419 0.000 0.622 325 A CB -0.663 18.245 19.000 -0.153 0.000 0.824 325 A HN -0.465 7.339 8.150 -0.414 0.096 0.444 326 E N -0.818 119.288 120.200 -0.157 0.000 2.085 326 E HA -0.463 nan 4.350 nan 0.000 0.194 326 E C 1.905 178.425 176.600 -0.134 0.000 0.994 326 E CA 3.214 59.602 56.400 -0.020 0.000 0.801 326 E CB -0.189 29.534 29.700 0.040 0.000 0.743 326 E HN 0.076 8.378 8.360 -0.097 0.000 0.453 327 Q N -1.048 118.659 119.800 -0.154 0.000 2.135 327 Q HA -0.275 nan 4.340 nan 0.000 0.204 327 Q C 2.506 178.337 176.000 -0.282 0.000 0.981 327 Q CA 3.377 59.072 55.803 -0.181 0.000 0.856 327 Q CB -0.085 28.621 28.738 -0.054 0.000 0.902 327 Q HN -0.275 7.920 8.270 -0.124 0.000 0.425 328 L N -1.564 119.476 121.223 -0.305 0.000 2.072 328 L HA -0.333 nan 4.340 nan 0.000 0.205 328 L C 2.337 179.084 176.870 -0.205 0.000 1.079 328 L CA 2.829 57.496 54.840 -0.288 0.000 0.752 328 L CB -0.439 41.491 42.059 -0.215 0.000 0.906 328 L HN -0.718 7.321 8.230 -0.300 0.011 0.436 329 Y N -1.431 118.812 120.300 -0.093 0.000 2.224 329 Y HA -0.484 nan 4.550 nan 0.000 0.289 329 Y C 2.599 178.403 175.900 -0.161 0.000 1.146 329 Y CA 1.947 60.008 58.100 -0.066 0.000 1.182 329 Y CB -1.343 37.102 38.460 -0.026 0.000 0.983 329 Y HN -0.123 7.912 8.280 -0.409 0.000 0.524 330 D N -0.609 119.665 120.400 -0.210 0.000 2.097 330 D HA -0.335 nan 4.640 nan 0.000 0.195 330 D C 2.236 178.272 176.300 -0.440 0.000 0.989 330 D CA 3.293 56.932 54.000 -0.601 0.000 0.827 330 D CB -0.682 39.440 40.800 -1.130 0.000 0.966 330 D HN -0.073 8.172 8.370 -0.209 0.000 0.456 331 A N -0.097 122.425 122.820 -0.497 0.000 1.902 331 A HA -0.240 nan 4.320 nan 0.000 0.217 331 A C 2.162 179.217 177.584 -0.881 0.000 1.181 331 A CA 3.087 54.635 52.037 -0.815 0.000 0.623 331 A CB -0.599 17.791 19.000 -1.017 0.000 0.818 331 A HN -0.197 7.680 8.150 -0.454 0.000 0.443 332 L N -2.163 118.834 121.223 -0.377 0.000 2.042 332 L HA -0.462 nan 4.340 nan 0.000 0.210 332 L C 1.801 178.749 176.870 0.130 0.000 1.076 332 L CA 3.199 58.060 54.840 0.035 0.000 0.749 332 L CB -0.343 41.836 42.059 0.199 0.000 0.893 332 L HN -0.022 8.044 8.230 -0.274 0.000 0.432 333 Y N -0.636 119.665 120.300 0.001 0.000 2.145 333 Y HA -0.598 nan 4.550 nan 0.000 0.286 333 Y C 1.800 177.769 175.900 0.115 0.000 1.145 333 Y CA 3.978 62.133 58.100 0.091 0.000 1.148 333 Y CB -0.027 38.504 38.460 0.118 0.000 0.981 333 Y HN -0.409 7.892 8.280 0.162 0.076 0.507 334 Q N -1.521 118.371 119.800 0.154 0.000 2.084 334 Q HA -0.433 nan 4.340 nan 0.000 0.202 334 Q C 2.498 178.579 176.000 0.135 0.000 0.978 334 Q CA 3.447 59.320 55.803 0.116 0.000 0.844 334 Q CB -0.198 28.582 28.738 0.070 0.000 0.898 334 Q HN -0.134 8.205 8.270 0.114 0.000 0.426 335 W N -1.589 119.797 121.300 0.143 0.000 2.358 335 W HA -0.249 nan 4.660 nan 0.000 0.303 335 W C 2.341 178.973 176.519 0.189 0.000 1.208 335 W CA 1.417 58.875 57.345 0.188 0.000 1.274 335 W CB -0.693 28.898 29.460 0.218 0.000 1.138 335 W HN 0.397 8.520 8.180 -0.096 0.000 0.515 336 D N -0.993 119.627 120.400 0.367 0.000 2.097 336 D HA -0.325 nan 4.640 nan 0.000 0.195 336 D C 1.551 177.873 176.300 0.037 0.000 0.989 336 D CA 3.351 57.476 54.000 0.208 0.000 0.827 336 D CB 0.128 40.997 40.800 0.116 0.000 0.966 336 D HN -0.356 8.209 8.370 0.326 0.000 0.456 337 K N -2.411 117.933 120.400 -0.092 0.000 2.097 337 K HA -0.232 nan 4.320 nan 0.000 0.206 337 K C 2.262 178.858 176.600 -0.007 0.000 1.049 337 K CA 2.141 58.355 56.287 -0.122 0.000 0.933 337 K CB 0.157 32.509 32.500 -0.246 0.000 0.717 337 K HN -0.386 7.767 8.250 -0.162 0.000 0.442 338 Q N -4.081 115.759 119.800 0.066 0.000 2.245 338 Q HA -0.105 nan 4.340 nan 0.000 0.201 338 Q C 1.246 177.279 176.000 0.055 0.000 0.955 338 Q CA 1.046 56.899 55.803 0.084 0.000 0.870 338 Q CB 0.924 29.756 28.738 0.157 0.000 0.945 338 Q HN -0.305 8.029 8.270 0.107 0.000 0.461 339 G N -1.048 107.786 108.800 0.056 0.000 2.141 339 G HA2 -0.372 nan 3.960 nan 0.000 0.242 339 G HA3 -0.372 nan 3.960 nan 0.000 0.242 339 G C -1.590 173.262 174.900 -0.080 0.000 0.982 339 G CA 0.407 45.484 45.100 -0.040 0.000 0.662 339 G HN 0.253 8.493 8.290 0.109 0.116 0.527 340 S N -1.793 113.948 115.700 0.067 0.000 2.636 340 S HA 0.735 nan 4.470 nan 0.000 0.266 340 S C -2.170 172.555 174.600 0.209 0.000 1.147 340 S CA -0.499 57.752 58.200 0.086 0.000 0.815 340 S CB 2.793 66.007 63.200 0.024 0.000 1.119 340 S HN -0.667 7.714 8.310 0.180 0.037 0.470 341 L N -0.726 120.553 121.223 0.094 0.000 2.455 341 L HA 0.480 nan 4.340 nan 0.000 0.264 341 L C -2.829 173.998 176.870 -0.071 0.000 0.968 341 L CA 0.015 54.737 54.840 -0.197 0.000 0.827 341 L CB 3.350 45.002 42.059 -0.679 0.000 1.317 341 L HN 0.618 8.919 8.230 0.119 0.000 0.407 342 E N 4.612 124.794 120.200 -0.031 0.000 2.199 342 E HA 0.762 nan 4.350 nan 0.000 0.269 342 E C -1.661 174.927 176.600 -0.020 0.000 0.899 342 E CA -1.820 54.579 56.400 -0.001 0.000 0.772 342 E CB 3.312 33.036 29.700 0.041 0.000 1.155 342 E HN 0.172 8.559 8.360 0.045 0.000 0.408 343 I N 5.248 125.803 120.570 -0.026 0.000 2.378 343 I HA 0.484 nan 4.170 nan 0.000 0.291 343 I C -1.138 175.038 176.117 0.098 0.000 0.992 343 I CA -1.203 60.082 61.300 -0.025 0.000 1.154 343 I CB 1.687 39.602 38.000 -0.142 0.000 1.315 343 I HN 0.727 8.947 8.210 0.017 0.000 0.448 344 T N 3.908 118.564 114.554 0.170 0.000 2.905 344 T HA 0.424 nan 4.350 nan 0.000 0.283 344 T C -0.361 174.439 174.700 0.166 0.000 1.031 344 T CA -2.231 59.952 62.100 0.138 0.000 1.002 344 T CB 2.655 71.596 68.868 0.121 0.000 1.200 344 T HN 0.174 8.567 8.240 0.255 0.000 0.560 345 D N -0.466 120.016 120.400 0.136 0.000 2.182 345 D HA -0.154 nan 4.640 nan 0.000 0.201 345 D C 1.782 178.189 176.300 0.179 0.000 0.986 345 D CA 2.982 57.067 54.000 0.142 0.000 0.847 345 D CB -0.362 40.507 40.800 0.115 0.000 0.942 345 D HN 0.329 8.765 8.370 0.111 0.000 0.467 346 V N -2.192 117.836 119.914 0.191 0.000 2.358 346 V HA -0.175 nan 4.120 nan 0.000 0.246 346 V C 1.317 177.569 176.094 0.264 0.000 1.047 346 V CA 2.347 64.788 62.300 0.236 0.000 1.035 346 V CB -0.166 31.784 31.823 0.212 0.000 0.658 346 V HN -0.673 7.596 8.190 0.165 0.020 0.452 347 S N -2.211 113.657 115.700 0.280 0.000 2.556 347 S HA 0.009 nan 4.470 nan 0.000 0.216 347 S C 1.659 176.545 174.600 0.476 0.000 0.970 347 S CA 1.203 59.615 58.200 0.353 0.000 0.912 347 S CB 1.385 64.829 63.200 0.407 0.000 0.790 347 S HN -0.678 7.790 8.310 0.263 0.000 0.504 348 L N 3.223 124.673 121.223 0.378 0.000 2.013 348 L HA -0.381 nan 4.340 nan 0.000 0.212 348 L C 0.564 177.618 176.870 0.308 0.000 1.073 348 L CA 3.908 58.958 54.840 0.349 0.000 0.753 348 L CB -0.367 41.823 42.059 0.218 0.000 0.890 348 L HN -0.337 8.021 8.230 0.300 0.052 0.432 349 D N -1.986 118.558 120.400 0.240 0.000 2.149 349 D HA -0.375 nan 4.640 nan 0.000 0.198 349 D C 2.635 179.027 176.300 0.153 0.000 0.990 349 D CA 3.549 57.653 54.000 0.172 0.000 0.839 349 D CB -0.727 40.165 40.800 0.153 0.000 0.948 349 D HN 0.199 8.711 8.370 0.237 0.000 0.460 350 F N 1.157 121.144 119.950 0.062 0.000 2.095 350 F HA -0.378 nan 4.527 nan 0.000 0.298 350 F C 1.277 177.006 175.800 -0.120 0.000 1.104 350 F CA 3.137 61.101 58.000 -0.060 0.000 1.232 350 F CB 0.118 39.010 39.000 -0.180 0.000 0.987 350 F HN -0.939 7.576 8.300 0.359 0.000 0.475 351 F N -2.388 117.622 119.950 0.100 0.000 2.146 351 F HA -0.424 nan 4.527 nan 0.000 0.298 351 F C 2.060 177.812 175.800 -0.079 0.000 1.096 351 F CA 3.817 61.803 58.000 -0.023 0.000 1.275 351 F CB -0.322 38.754 39.000 0.126 0.000 1.008 351 F HN -0.665 7.864 8.300 0.382 0.000 0.480 352 K N -1.267 119.221 120.400 0.147 0.000 2.103 352 K HA -0.345 nan 4.320 nan 0.000 0.207 352 K C 1.933 178.498 176.600 -0.059 0.000 1.048 352 K CA 3.055 59.363 56.287 0.036 0.000 0.930 352 K CB -0.212 32.311 32.500 0.039 0.000 0.716 352 K HN 0.228 8.607 8.250 0.214 0.000 0.444 353 A N -2.902 119.847 122.820 -0.120 0.000 1.972 353 A HA -0.097 nan 4.320 nan 0.000 0.219 353 A C 1.289 178.723 177.584 -0.250 0.000 1.169 353 A CA 2.195 54.121 52.037 -0.184 0.000 0.635 353 A CB -0.014 18.851 19.000 -0.226 0.000 0.810 353 A HN -0.489 7.583 8.150 -0.111 0.012 0.446 354 L N -5.726 115.324 121.223 -0.289 0.000 2.408 354 L HA -0.021 nan 4.340 nan 0.000 0.215 354 L C 0.191 177.042 176.870 -0.030 0.000 1.081 354 L CA 0.527 55.210 54.840 -0.262 0.000 0.840 354 L CB 1.258 43.081 42.059 -0.393 0.000 1.002 354 L HN -0.775 7.151 8.230 -0.282 0.135 0.468 355 Y N 0.217 120.439 120.300 -0.130 0.000 2.400 355 Y HA 0.203 nan 4.550 nan 0.000 0.335 355 Y C -0.736 175.121 175.900 -0.072 0.000 1.066 355 Y CA -1.513 56.532 58.100 -0.091 0.000 1.285 355 Y CB 1.089 39.497 38.460 -0.087 0.000 1.103 355 Y HN 0.016 8.322 8.280 0.043 0.000 0.490 356 S N 7.427 122.915 115.700 -0.353 0.000 2.440 356 S HA -0.307 nan 4.470 nan 0.000 0.238 356 S C 1.443 175.786 174.600 -0.428 0.000 1.010 356 S CA 2.707 60.718 58.200 -0.315 0.000 0.972 356 S CB -0.262 62.809 63.200 -0.215 0.000 0.774 356 S HN 0.233 8.385 8.310 -0.264 0.000 0.501 357 G N -0.654 107.622 108.800 -0.873 0.000 3.026 357 G HA2 -0.000 nan 3.960 nan 0.000 0.208 357 G HA3 -0.000 nan 3.960 nan 0.000 0.208 357 G C -0.716 173.965 174.900 -0.365 0.000 1.169 357 G CA -0.981 43.726 45.100 -0.654 0.000 0.788 357 G HN -0.287 7.108 8.290 -1.429 0.037 0.533 358 A N 1.703 124.380 122.820 -0.238 0.000 2.540 358 A HA -0.105 nan 4.320 nan 0.000 0.239 358 A C -1.837 175.770 177.584 0.038 0.000 1.061 358 A CA 1.184 53.259 52.037 0.063 0.000 0.758 358 A CB 0.598 19.691 19.000 0.156 0.000 0.991 358 A HN -0.281 7.481 8.150 -0.359 0.173 0.502 359 A N 2.501 125.367 122.820 0.076 0.000 2.572 359 A HA 0.332 nan 4.320 nan 0.000 0.295 359 A C -1.139 176.549 177.584 0.174 0.000 1.072 359 A CA -0.669 51.438 52.037 0.115 0.000 0.691 359 A CB 2.612 21.684 19.000 0.120 0.000 1.291 359 A HN -0.149 8.030 8.150 0.048 0.000 0.404 360 T N -1.608 113.022 114.554 0.128 0.000 2.932 360 T HA 0.145 nan 4.350 nan 0.000 0.312 360 T C 0.531 175.274 174.700 0.071 0.000 1.071 360 T CA -0.075 62.090 62.100 0.108 0.000 1.128 360 T CB 0.029 68.942 68.868 0.074 0.000 0.984 360 T HN 0.369 8.670 8.240 0.102 0.000 0.549 361 G N 1.692 110.483 108.800 -0.016 0.000 2.369 361 G HA2 -0.172 nan 3.960 nan 0.000 0.293 361 G HA3 -0.172 nan 3.960 nan 0.000 0.293 361 G C -3.157 171.473 174.900 -0.450 0.000 1.301 361 G CA -0.001 44.940 45.100 -0.266 0.000 0.913 361 G HN -0.126 8.176 8.290 0.020 0.000 0.540 362 T N 1.691 115.877 114.554 -0.612 0.000 2.779 362 T HA 0.701 nan 4.350 nan 0.000 0.280 362 T C -0.848 173.431 174.700 -0.702 0.000 0.987 362 T CA -0.101 61.725 62.100 -0.458 0.000 0.966 362 T CB 0.774 69.503 68.868 -0.232 0.000 0.933 362 T HN -0.187 7.711 8.240 -0.570 0.000 0.442 363 Y N 5.780 126.033 120.300 -0.079 0.000 2.328 363 Y HA 0.250 nan 4.550 nan 0.000 0.333 363 Y C -0.639 175.237 175.900 -0.041 0.000 0.958 363 Y CA -2.098 55.969 58.100 -0.055 0.000 1.167 363 Y CB 1.802 40.220 38.460 -0.070 0.000 1.151 363 Y HN 1.115 9.373 8.280 -0.038 0.000 0.470 364 S N 3.400 119.105 115.700 0.009 0.000 2.593 364 S HA 0.168 nan 4.470 nan 0.000 0.269 364 S C 1.567 175.957 174.600 -0.349 0.000 1.334 364 S CA -0.777 57.349 58.200 -0.123 0.000 1.015 364 S CB 1.085 64.220 63.200 -0.108 0.000 0.912 364 S HN 0.616 8.929 8.310 0.004 0.000 0.541 365 S N 1.460 116.766 115.700 -0.656 0.000 2.500 365 S HA -0.245 nan 4.470 nan 0.000 0.239 365 S C 1.055 175.303 174.600 -0.587 0.000 0.989 365 S CA 2.311 59.734 58.200 -1.294 0.000 0.951 365 S CB -0.242 62.409 63.200 -0.914 0.000 0.759 365 S HN 0.310 8.355 8.310 -0.441 0.000 0.523 366 S N -1.089 114.444 115.700 -0.277 0.000 2.535 366 S HA 0.106 nan 4.470 nan 0.000 0.214 366 S C 0.890 175.463 174.600 -0.044 0.000 0.980 366 S CA -0.363 57.767 58.200 -0.117 0.000 0.907 366 S CB 0.632 63.783 63.200 -0.083 0.000 0.790 366 S HN -0.633 7.475 8.310 -0.252 0.050 0.510 367 S N 2.597 118.282 115.700 -0.026 0.000 2.593 367 S HA 0.080 nan 4.470 nan 0.000 0.269 367 S C 0.587 175.223 174.600 0.061 0.000 1.334 367 S CA 0.213 58.439 58.200 0.044 0.000 1.015 367 S CB 2.272 65.535 63.200 0.105 0.000 0.912 367 S HN -0.399 7.700 8.310 -0.079 0.164 0.541 368 S N 1.468 117.194 115.700 0.044 0.000 2.368 368 S HA -0.210 nan 4.470 nan 0.000 0.225 368 S C 1.815 176.386 174.600 -0.048 0.000 1.030 368 S CA 3.295 61.505 58.200 0.016 0.000 0.999 368 S CB -0.215 63.000 63.200 0.026 0.000 0.844 368 S HN 0.513 8.853 8.310 0.050 0.000 0.459 369 T N 4.137 118.647 114.554 -0.073 0.000 2.684 369 T HA -0.225 nan 4.350 nan 0.000 0.267 369 T C 1.672 176.139 174.700 -0.389 0.000 1.036 369 T CA 4.086 65.996 62.100 -0.316 0.000 1.148 369 T CB -0.684 67.912 68.868 -0.453 0.000 0.863 369 T HN -0.094 8.153 8.240 0.012 0.000 0.436 370 Y N 1.473 121.602 120.300 -0.285 0.000 2.097 370 Y HA -0.498 nan 4.550 nan 0.000 0.282 370 Y C 1.111 176.887 175.900 -0.207 0.000 1.152 370 Y CA 3.261 61.215 58.100 -0.243 0.000 1.136 370 Y CB -0.043 38.353 38.460 -0.105 0.000 0.975 370 Y HN -0.534 7.794 8.280 0.080 0.000 0.498 371 S N -1.606 114.149 115.700 0.091 0.000 2.365 371 S HA -0.554 nan 4.470 nan 0.000 0.225 371 S C 2.573 177.096 174.600 -0.128 0.000 1.039 371 S CA 3.613 61.831 58.200 0.030 0.000 1.033 371 S CB -0.481 62.751 63.200 0.053 0.000 0.887 371 S HN -0.402 8.005 8.310 0.161 0.000 0.447 372 S N 2.525 118.080 115.700 -0.241 0.000 2.368 372 S HA -0.316 nan 4.470 nan 0.000 0.225 372 S C 2.211 176.565 174.600 -0.411 0.000 1.030 372 S CA 3.627 61.626 58.200 -0.334 0.000 0.999 372 S CB 0.026 62.910 63.200 -0.527 0.000 0.844 372 S HN -0.337 7.827 8.310 -0.242 0.000 0.459 373 I N 1.451 121.680 120.570 -0.569 0.000 2.202 373 I HA -0.428 nan 4.170 nan 0.000 0.242 373 I C 1.511 177.505 176.117 -0.205 0.000 1.091 373 I CA 4.296 65.346 61.300 -0.416 0.000 1.368 373 I CB 0.077 37.771 38.000 -0.509 0.000 1.058 373 I HN -0.084 7.738 8.210 -0.647 0.000 0.410 374 V N -2.878 116.866 119.914 -0.284 0.000 2.407 374 V HA -0.454 nan 4.120 nan 0.000 0.248 374 V C 1.893 178.003 176.094 0.026 0.000 1.055 374 V CA 4.408 66.650 62.300 -0.097 0.000 1.049 374 V CB -1.323 30.378 31.823 -0.203 0.000 0.662 374 V HN 0.293 8.210 8.190 -0.454 0.000 0.455 375 S N 1.648 117.339 115.700 -0.015 0.000 2.368 375 S HA -0.345 nan 4.470 nan 0.000 0.225 375 S C 1.891 176.527 174.600 0.060 0.000 1.030 375 S CA 4.229 62.451 58.200 0.035 0.000 0.999 375 S CB -0.681 62.526 63.200 0.013 0.000 0.844 375 S HN -0.323 7.939 8.310 -0.080 0.000 0.459 376 A N 1.486 124.323 122.820 0.028 0.000 1.898 376 A HA -0.183 nan 4.320 nan 0.000 0.216 376 A C 2.247 179.897 177.584 0.111 0.000 1.181 376 A CA 3.152 55.216 52.037 0.045 0.000 0.620 376 A CB -0.706 18.296 19.000 0.003 0.000 0.819 376 A HN -0.419 7.716 8.150 -0.026 0.000 0.442 377 V N -0.188 119.819 119.914 0.155 0.000 2.358 377 V HA -0.470 nan 4.120 nan 0.000 0.246 377 V C 1.903 178.174 176.094 0.294 0.000 1.047 377 V CA 4.489 66.958 62.300 0.282 0.000 1.035 377 V CB -0.988 31.078 31.823 0.405 0.000 0.658 377 V HN 0.350 8.611 8.190 0.118 0.000 0.452 378 K N -1.243 119.304 120.400 0.244 0.000 2.057 378 K HA -0.299 nan 4.320 nan 0.000 0.207 378 K C 2.045 178.792 176.600 0.245 0.000 1.049 378 K CA 3.081 59.524 56.287 0.260 0.000 0.931 378 K CB -0.678 31.958 32.500 0.228 0.000 0.714 378 K HN 0.162 8.537 8.250 0.208 0.000 0.440 379 T N 2.763 117.439 114.554 0.203 0.000 2.746 379 T HA -0.259 nan 4.350 nan 0.000 0.267 379 T C 2.165 176.994 174.700 0.214 0.000 1.039 379 T CA 4.739 66.944 62.100 0.175 0.000 1.142 379 T CB -0.645 68.299 68.868 0.127 0.000 0.866 379 T HN -0.421 7.926 8.240 0.179 0.000 0.444 380 F N 2.416 122.400 119.950 0.057 0.000 2.102 380 F HA -0.420 nan 4.527 nan 0.000 0.298 380 F C 0.552 176.422 175.800 0.116 0.000 1.105 380 F CA 1.775 59.795 58.000 0.034 0.000 1.239 380 F CB -0.174 38.865 39.000 0.065 0.000 0.991 380 F HN -0.349 8.163 8.300 0.353 0.000 0.474 381 A N -1.174 121.751 122.820 0.174 0.000 1.877 381 A HA -0.406 nan 4.320 nan 0.000 0.216 381 A C 2.061 179.712 177.584 0.112 0.000 1.186 381 A CA 3.254 55.300 52.037 0.014 0.000 0.620 381 A CB -0.922 17.860 19.000 -0.363 0.000 0.822 381 A HN 0.206 8.522 8.150 0.278 0.000 0.443 382 D N -1.986 118.538 120.400 0.208 0.000 2.218 382 D HA -0.246 nan 4.640 nan 0.000 0.204 382 D C 2.564 178.936 176.300 0.120 0.000 0.976 382 D CA 3.018 57.163 54.000 0.241 0.000 0.853 382 D CB -0.411 40.518 40.800 0.216 0.000 0.939 382 D HN -0.036 8.469 8.370 0.225 0.000 0.481 383 G N -1.241 107.570 108.800 0.018 0.000 2.440 383 G HA2 -0.282 nan 3.960 nan 0.000 0.218 383 G HA3 -0.282 nan 3.960 nan 0.000 0.218 383 G C 1.178 175.980 174.900 -0.163 0.000 1.154 383 G CA 2.097 47.127 45.100 -0.117 0.000 0.767 383 G HN -0.146 8.037 8.290 0.035 0.128 0.552 384 F N 1.386 121.287 119.950 -0.082 0.000 2.134 384 F HA -0.279 nan 4.527 nan 0.000 0.299 384 F C 2.077 177.881 175.800 0.008 0.000 1.097 384 F CA 3.602 61.566 58.000 -0.061 0.000 1.264 384 F CB -0.253 38.678 39.000 -0.115 0.000 1.001 384 F HN -0.773 7.395 8.300 -0.072 0.089 0.479 385 V N -0.929 119.127 119.914 0.236 0.000 2.515 385 V HA -0.481 nan 4.120 nan 0.000 0.250 385 V C 2.002 178.123 176.094 0.044 0.000 1.058 385 V CA 4.067 66.490 62.300 0.205 0.000 1.064 385 V CB -1.308 30.692 31.823 0.296 0.000 0.675 385 V HN -0.578 7.691 8.190 0.255 0.074 0.461 386 S N 0.576 116.270 115.700 -0.010 0.000 2.382 386 S HA -0.316 nan 4.470 nan 0.000 0.228 386 S C 2.238 176.713 174.600 -0.207 0.000 1.027 386 S CA 4.389 62.506 58.200 -0.138 0.000 0.991 386 S CB -0.623 62.519 63.200 -0.097 0.000 0.823 386 S HN -0.101 8.148 8.310 0.035 0.082 0.469 387 I N 1.726 122.231 120.570 -0.109 0.000 2.226 387 I HA -0.444 nan 4.170 nan 0.000 0.245 387 I C 1.538 177.556 176.117 -0.165 0.000 1.100 387 I CA 4.163 65.409 61.300 -0.091 0.000 1.374 387 I CB -0.091 37.945 38.000 0.060 0.000 1.057 387 I HN -0.575 7.595 8.210 -0.047 0.012 0.413 388 V N -0.411 119.449 119.914 -0.089 0.000 2.295 388 V HA -0.557 nan 4.120 nan 0.000 0.246 388 V C 1.680 177.631 176.094 -0.238 0.000 1.049 388 V CA 4.431 66.722 62.300 -0.015 0.000 1.024 388 V CB -0.834 31.110 31.823 0.202 0.000 0.648 388 V HN -0.522 7.587 8.190 -0.006 0.078 0.447 389 E N -1.810 118.012 120.200 -0.629 0.000 2.085 389 E HA -0.397 nan 4.350 nan 0.000 0.194 389 E C 2.877 179.015 176.600 -0.770 0.000 0.994 389 E CA 3.381 58.987 56.400 -1.322 0.000 0.801 389 E CB -0.175 28.569 29.700 -1.592 0.000 0.743 389 E HN 0.015 8.080 8.360 -0.491 0.000 0.453 390 T N 0.555 114.741 114.554 -0.613 0.000 2.833 390 T HA -0.179 nan 4.350 nan 0.000 0.269 390 T C 1.137 175.425 174.700 -0.688 0.000 1.054 390 T CA 2.993 64.713 62.100 -0.634 0.000 1.135 390 T CB -0.182 68.253 68.868 -0.722 0.000 0.869 390 T HN -0.058 7.839 8.240 -0.557 0.008 0.466 391 H N -1.918 117.004 119.070 -0.247 0.000 2.652 391 H HA 0.239 nan 4.556 nan 0.000 0.274 391 H C -0.723 174.613 175.328 0.014 0.000 1.021 391 H CA -1.009 54.931 56.048 -0.180 0.000 1.187 391 H CB 0.750 30.218 29.762 -0.490 0.000 1.505 391 H HN -0.521 7.359 8.280 -0.445 0.134 0.530 392 A N -1.211 121.627 122.820 0.030 0.000 2.366 392 A HA 0.042 nan 4.320 nan 0.000 0.249 392 A C -0.755 176.847 177.584 0.029 0.000 1.084 392 A CA -0.495 51.538 52.037 -0.007 0.000 0.794 392 A CB 0.919 19.977 19.000 0.096 0.000 1.034 392 A HN -0.646 7.444 8.150 -0.100 0.000 0.491 393 A N 0.974 123.806 122.820 0.021 0.000 2.406 393 A HA 0.032 nan 4.320 nan 0.000 0.243 393 A C 0.990 178.612 177.584 0.064 0.000 1.082 393 A CA -0.721 51.336 52.037 0.033 0.000 0.786 393 A CB 0.385 19.395 19.000 0.017 0.000 1.029 393 A HN 0.017 8.252 8.150 -0.026 -0.101 0.495 394 S N 0.399 116.128 115.700 0.048 0.000 2.419 394 S HA -0.248 nan 4.470 nan 0.000 0.235 394 S C 0.106 174.755 174.600 0.081 0.000 1.019 394 S CA 2.926 61.162 58.200 0.061 0.000 0.982 394 S CB -0.237 62.984 63.200 0.036 0.000 0.789 394 S HN 0.549 8.877 8.310 0.031 0.000 0.490 395 N N -1.842 116.899 118.700 0.069 0.000 2.322 395 N HA 0.003 nan 4.740 nan 0.000 0.194 395 N C -0.119 175.441 175.510 0.083 0.000 1.126 395 N CA -0.749 52.342 53.050 0.068 0.000 0.845 395 N CB -0.348 38.173 38.487 0.058 0.000 0.976 395 N HN 0.021 8.413 8.380 0.057 0.022 0.475 396 G N -0.395 108.474 108.800 0.115 0.000 2.176 396 G HA2 -0.408 nan 3.960 nan 0.000 0.232 396 G HA3 -0.408 nan 3.960 nan 0.000 0.232 396 G C 0.040 175.032 174.900 0.153 0.000 0.986 396 G CA -0.134 45.044 45.100 0.132 0.000 0.643 396 G HN 0.089 8.255 8.290 0.125 0.199 0.522 397 S N 2.794 118.571 115.700 0.129 0.000 2.549 397 S HA -0.042 nan 4.470 nan 0.000 0.286 397 S C -1.264 173.284 174.600 -0.088 0.000 1.314 397 S CA 2.225 60.510 58.200 0.141 0.000 1.062 397 S CB 0.611 63.852 63.200 0.068 0.000 0.865 397 S HN -0.435 8.148 8.310 0.101 -0.212 0.498 398 L N 5.744 126.801 121.223 -0.277 0.000 2.349 398 L HA 0.343 nan 4.340 nan 0.000 0.278 398 L C -1.026 175.534 176.870 -0.517 0.000 0.996 398 L CA -1.389 53.017 54.840 -0.722 0.000 0.825 398 L CB 2.079 43.544 42.059 -0.990 0.000 1.243 398 L HN -0.037 8.121 8.230 -0.121 0.000 0.412 399 S N 3.821 119.340 115.700 -0.301 0.000 2.666 399 S HA 0.331 nan 4.470 nan 0.000 0.279 399 S C 0.351 174.905 174.600 -0.077 0.000 1.149 399 S CA -0.717 57.398 58.200 -0.142 0.000 1.020 399 S CB 1.542 64.694 63.200 -0.081 0.000 1.127 399 S HN -0.147 8.160 8.310 -0.279 -0.165 0.537 400 E N 1.419 121.468 120.200 -0.252 0.000 2.046 400 E HA -0.232 nan 4.350 nan 0.000 0.190 400 E C 0.108 176.338 176.600 -0.617 0.000 0.982 400 E CA 2.680 58.800 56.400 -0.466 0.000 0.800 400 E CB 0.989 30.267 29.700 -0.702 0.000 0.756 400 E HN -0.055 8.113 8.360 -0.320 0.000 0.449 401 Q N -5.314 114.136 119.800 -0.584 0.000 2.496 401 Q HA 0.721 nan 4.340 nan 0.000 0.286 401 Q C -0.986 174.799 176.000 -0.359 0.000 1.103 401 Q CA -2.059 53.345 55.803 -0.666 0.000 0.813 401 Q CB 4.854 33.085 28.738 -0.845 0.000 1.444 401 Q HN -0.627 7.351 8.270 -0.486 0.000 0.443 402 F N -3.848 115.708 119.950 -0.655 0.000 2.569 402 F HA 0.489 nan 4.527 nan 0.000 0.312 402 F C -1.222 174.260 175.800 -0.529 0.000 1.109 402 F CA -2.744 54.911 58.000 -0.576 0.000 0.919 402 F CB 2.150 40.709 39.000 -0.735 0.000 1.211 402 F HN 0.067 7.774 8.300 -0.988 0.000 0.446 403 D N 2.953 123.170 120.400 -0.305 0.000 2.533 403 D HA -0.130 nan 4.640 nan 0.000 0.236 403 D C 1.366 177.407 176.300 -0.433 0.000 1.137 403 D CA 1.445 55.242 54.000 -0.338 0.000 0.867 403 D CB 1.117 41.795 40.800 -0.204 0.000 1.170 403 D HN 0.579 8.723 8.370 -0.177 0.120 0.474 404 K N 5.679 125.785 120.400 -0.489 0.000 2.280 404 K HA -0.343 nan 4.320 nan 0.000 0.202 404 K C 1.201 177.652 176.600 -0.250 0.000 1.047 404 K CA 2.946 58.903 56.287 -0.549 0.000 0.942 404 K CB 0.011 32.234 32.500 -0.461 0.000 0.739 404 K HN 0.122 8.391 8.250 -0.433 -0.279 0.457 405 S N -0.190 115.405 115.700 -0.176 0.000 2.620 405 S HA 0.061 nan 4.470 nan 0.000 0.234 405 S C 0.969 175.521 174.600 -0.079 0.000 1.064 405 S CA 2.569 60.714 58.200 -0.091 0.000 0.920 405 S CB 1.266 64.428 63.200 -0.063 0.000 0.826 405 S HN -0.011 8.433 8.310 -0.199 -0.253 0.557 406 D N -2.575 117.770 120.400 -0.092 0.000 2.398 406 D HA 0.152 nan 4.640 nan 0.000 0.210 406 D C 0.910 177.170 176.300 -0.067 0.000 1.094 406 D CA -0.971 52.995 54.000 -0.057 0.000 0.839 406 D CB 0.253 41.030 40.800 -0.039 0.000 0.963 406 D HN -0.384 8.246 8.370 -0.112 -0.328 0.506 407 G N -0.230 108.471 108.800 -0.166 0.000 2.168 407 G HA2 -0.488 nan 3.960 nan 0.000 0.263 407 G HA3 -0.488 nan 3.960 nan 0.000 0.263 407 G C -0.044 174.808 174.900 -0.081 0.000 0.977 407 G CA 0.637 45.570 45.100 -0.278 0.000 0.659 407 G HN -0.331 7.747 8.290 -0.192 0.097 0.533 408 D N 1.781 122.151 120.400 -0.050 0.000 2.399 408 D HA -0.015 nan 4.640 nan 0.000 0.241 408 D C -0.317 175.970 176.300 -0.023 0.000 1.133 408 D CA 0.622 54.612 54.000 -0.017 0.000 0.890 408 D CB 0.652 41.427 40.800 -0.042 0.000 1.201 408 D HN -0.196 8.426 8.370 -0.074 -0.297 0.432 409 E N 0.948 121.158 120.200 0.017 0.000 2.384 409 E HA 0.269 nan 4.350 nan 0.000 0.266 409 E C -0.646 175.888 176.600 -0.110 0.000 1.012 409 E CA 0.793 57.205 56.400 0.021 0.000 0.901 409 E CB 0.653 30.391 29.700 0.064 0.000 0.967 409 E HN 0.152 8.529 8.360 0.029 0.000 0.435 410 L N -1.547 119.551 121.223 -0.207 0.000 2.389 410 L HA 0.553 nan 4.340 nan 0.000 0.249 410 L C -1.447 175.106 176.870 -0.529 0.000 1.083 410 L CA -2.038 52.593 54.840 -0.348 0.000 0.876 410 L CB 3.405 45.246 42.059 -0.363 0.000 1.489 410 L HN 0.494 8.499 8.230 -0.193 0.109 0.412 411 S N -1.484 113.758 115.700 -0.765 0.000 3.514 411 S HA -0.399 nan 4.470 nan 0.000 0.634 411 S C -0.718 173.503 174.600 -0.632 0.000 2.489 411 S CA 0.199 57.807 58.200 -0.986 0.000 2.771 411 S CB 0.181 62.715 63.200 -1.110 0.000 0.328 411 S HN 0.261 8.129 8.310 -0.737 0.000 1.714 412 A N 1.245 123.647 122.820 -0.696 0.000 2.548 412 A HA -0.051 nan 4.320 nan 0.000 0.247 412 A C -0.501 176.880 177.584 -0.339 0.000 1.067 412 A CA 0.787 52.479 52.037 -0.574 0.000 0.757 412 A CB 0.219 18.686 19.000 -0.889 0.000 0.996 412 A HN 0.385 8.032 8.150 -0.838 0.000 0.504 413 R N 1.441 121.796 120.500 -0.242 0.000 2.615 413 R HA 0.015 nan 4.340 nan 0.000 0.270 413 R C -0.357 175.875 176.300 -0.113 0.000 1.081 413 R CA -0.708 55.282 56.100 -0.184 0.000 1.154 413 R CB 0.829 31.015 30.300 -0.191 0.000 1.063 413 R HN 0.247 8.375 8.270 -0.236 0.000 0.519 414 D N -2.487 117.870 120.400 -0.073 0.000 2.740 414 D HA -0.481 nan 4.640 nan 0.000 0.231 414 D C -1.191 175.242 176.300 0.223 0.000 1.194 414 D CA 1.532 55.620 54.000 0.146 0.000 0.673 414 D CB -1.572 39.263 40.800 0.058 0.000 0.995 414 D HN 0.511 8.818 8.370 -0.107 0.000 0.411 415 L N -0.711 120.525 121.223 0.022 0.000 2.433 415 L HA -0.014 nan 4.340 nan 0.000 0.275 415 L C 0.477 177.471 176.870 0.205 0.000 1.128 415 L CA 0.277 55.181 54.840 0.106 0.000 0.875 415 L CB 0.806 42.872 42.059 0.011 0.000 1.171 415 L HN -0.575 7.571 8.230 -0.139 0.000 0.463 416 T N 9.397 124.166 114.554 0.358 0.000 2.699 416 T HA -0.348 nan 4.350 nan 0.000 0.268 416 T C 1.120 176.062 174.700 0.403 0.000 1.036 416 T CA 4.683 67.033 62.100 0.416 0.000 1.147 416 T CB -0.622 68.433 68.868 0.312 0.000 0.862 416 T HN 0.475 8.921 8.240 0.344 0.000 0.446 417 W N 0.896 122.283 121.300 0.145 0.000 2.363 417 W HA -0.241 nan 4.660 nan 0.000 0.296 417 W C 0.902 177.491 176.519 0.117 0.000 1.212 417 W CA 0.744 58.169 57.345 0.133 0.000 1.260 417 W CB -1.018 28.524 29.460 0.136 0.000 1.131 417 W HN 0.157 8.623 8.180 0.476 0.000 0.530 418 S N 0.048 115.836 115.700 0.147 0.000 2.370 418 S HA -0.449 nan 4.470 nan 0.000 0.226 418 S C 2.281 176.851 174.600 -0.050 0.000 1.033 418 S CA 3.686 61.845 58.200 -0.067 0.000 1.011 418 S CB -0.263 62.753 63.200 -0.308 0.000 0.852 418 S HN -0.614 7.687 8.310 0.132 0.088 0.457 419 Y N 0.135 120.515 120.300 0.133 0.000 2.200 419 Y HA -0.356 nan 4.550 nan 0.000 0.290 419 Y C 1.810 177.785 175.900 0.125 0.000 1.137 419 Y CA 2.866 61.024 58.100 0.095 0.000 1.163 419 Y CB -0.719 37.790 38.460 0.081 0.000 0.988 419 Y HN -0.673 7.585 8.280 -0.036 0.000 0.518 420 A N -1.241 121.780 122.820 0.334 0.000 1.930 420 A HA -0.382 nan 4.320 nan 0.000 0.217 420 A C 1.727 179.487 177.584 0.293 0.000 1.175 420 A CA 2.852 55.056 52.037 0.279 0.000 0.627 420 A CB -1.157 18.007 19.000 0.274 0.000 0.815 420 A HN -0.104 8.269 8.150 0.373 0.000 0.443 421 A N -1.262 121.763 122.820 0.342 0.000 1.969 421 A HA -0.205 nan 4.320 nan 0.000 0.218 421 A C 1.837 179.551 177.584 0.218 0.000 1.169 421 A CA 2.922 55.139 52.037 0.301 0.000 0.635 421 A CB -0.790 18.361 19.000 0.253 0.000 0.810 421 A HN 0.074 8.450 8.150 0.376 0.000 0.445 422 L N -1.043 120.292 121.223 0.187 0.000 2.027 422 L HA -0.235 nan 4.340 nan 0.000 0.206 422 L C 1.694 178.645 176.870 0.136 0.000 1.074 422 L CA 3.004 57.941 54.840 0.160 0.000 0.745 422 L CB -0.784 41.353 42.059 0.130 0.000 0.898 422 L HN -0.450 7.789 8.230 0.187 0.104 0.433 423 L N -2.663 118.640 121.223 0.133 0.000 2.012 423 L HA -0.494 nan 4.340 nan 0.000 0.210 423 L C 2.110 179.042 176.870 0.102 0.000 1.073 423 L CA 3.603 58.500 54.840 0.095 0.000 0.748 423 L CB -0.555 41.557 42.059 0.089 0.000 0.891 423 L HN -0.072 8.255 8.230 0.161 0.000 0.431 424 T N -3.821 110.818 114.554 0.141 0.000 2.821 424 T HA -0.271 nan 4.350 nan 0.000 0.267 424 T C 1.558 176.337 174.700 0.131 0.000 1.046 424 T CA 3.815 65.998 62.100 0.139 0.000 1.139 424 T CB -0.662 68.314 68.868 0.179 0.000 0.871 424 T HN 0.020 8.363 8.240 0.172 0.000 0.454 425 A N 2.105 125.022 122.820 0.162 0.000 1.902 425 A HA -0.354 nan 4.320 nan 0.000 0.217 425 A C 1.769 179.432 177.584 0.132 0.000 1.181 425 A CA 3.117 55.282 52.037 0.213 0.000 0.623 425 A CB -0.786 18.369 19.000 0.258 0.000 0.818 425 A HN -0.151 8.103 8.150 0.173 0.000 0.443 426 N N -1.650 117.100 118.700 0.084 0.000 2.120 426 N HA -0.362 nan 4.740 nan 0.000 0.188 426 N C 2.103 177.589 175.510 -0.040 0.000 1.024 426 N CA 3.544 56.598 53.050 0.006 0.000 0.852 426 N CB 0.124 38.620 38.487 0.015 0.000 1.003 426 N HN -0.072 8.373 8.380 0.109 0.000 0.424 427 N N 0.959 119.661 118.700 0.002 0.000 2.084 427 N HA -0.329 nan 4.740 nan 0.000 0.190 427 N C 2.396 177.892 175.510 -0.023 0.000 1.030 427 N CA 3.382 56.431 53.050 -0.001 0.000 0.849 427 N CB 0.095 38.601 38.487 0.031 0.000 1.012 427 N HN -0.145 8.256 8.380 0.035 0.000 0.423 428 R N -1.294 119.201 120.500 -0.008 0.000 2.096 428 R HA -0.268 nan 4.340 nan 0.000 0.235 428 R C 2.672 178.890 176.300 -0.138 0.000 1.127 428 R CA 2.348 58.442 56.100 -0.011 0.000 0.968 428 R CB -0.861 29.484 30.300 0.076 0.000 0.861 428 R HN 0.065 8.354 8.270 0.031 0.000 0.440 429 R N -0.140 120.099 120.500 -0.435 0.000 2.127 429 R HA -0.269 nan 4.340 nan 0.000 0.238 429 R C 1.343 177.465 176.300 -0.297 0.000 1.134 429 R CA 3.018 58.621 56.100 -0.828 0.000 0.975 429 R CB -0.225 29.497 30.300 -0.963 0.000 0.865 429 R HN -0.069 7.999 8.270 -0.337 0.000 0.447 430 N N -2.762 115.848 118.700 -0.150 0.000 2.314 430 N HA 0.036 nan 4.740 nan 0.000 0.200 430 N C -1.038 174.482 175.510 0.017 0.000 1.135 430 N CA -0.157 52.864 53.050 -0.048 0.000 0.835 430 N CB -0.288 38.180 38.487 -0.032 0.000 0.989 430 N HN -0.516 7.648 8.380 -0.150 0.127 0.478 431 S N -2.694 113.030 115.700 0.040 0.000 3.561 431 S HA -0.357 nan 4.470 nan 0.000 0.318 431 S C -0.744 173.899 174.600 0.072 0.000 1.181 431 S CA 1.334 59.616 58.200 0.137 0.000 0.916 431 S CB -1.056 62.286 63.200 0.235 0.000 0.966 431 S HN -0.209 7.888 8.310 -0.007 0.210 0.550 432 V N 1.674 121.598 119.914 0.016 0.000 2.348 432 V HA 0.119 nan 4.120 nan 0.000 0.270 432 V C -0.916 175.166 176.094 -0.021 0.000 1.037 432 V CA 0.097 62.401 62.300 0.008 0.000 0.872 432 V CB -0.005 31.827 31.823 0.015 0.000 1.002 432 V HN -0.046 8.015 8.190 0.005 0.132 0.464 433 V N 3.131 123.006 119.914 -0.066 0.000 2.881 433 V HA 0.736 nan 4.120 nan 0.000 0.316 433 V C -1.770 174.308 176.094 -0.028 0.000 1.070 433 V CA -4.303 57.950 62.300 -0.079 0.000 0.976 433 V CB 0.522 32.154 31.823 -0.318 0.000 1.038 433 V HN 0.153 8.312 8.190 -0.053 0.000 0.446 434 P HA 0.574 nan 4.420 nan 0.000 0.278 434 P C -2.849 174.441 177.300 -0.018 0.000 1.258 434 P CA -2.241 60.871 63.100 0.020 0.000 0.811 434 P CB -0.452 31.290 31.700 0.070 0.000 1.063 435 P HA 0.111 nan 4.420 nan 0.000 0.269 435 P C -1.342 175.963 177.300 0.009 0.000 1.209 435 P CA -0.078 63.038 63.100 0.026 0.000 0.776 435 P CB 0.541 32.284 31.700 0.071 0.000 0.876 436 S N 0.701 116.381 115.700 -0.034 0.000 2.579 436 S HA -0.044 nan 4.470 nan 0.000 0.275 436 S C 0.518 175.128 174.600 0.017 0.000 1.345 436 S CA -0.697 57.444 58.200 -0.098 0.000 1.031 436 S CB 0.591 63.702 63.200 -0.148 0.000 0.892 436 S HN 0.161 8.453 8.310 -0.030 0.000 0.529 437 W N 1.600 122.862 121.300 -0.062 0.000 3.127 437 W HA 0.181 nan 4.660 nan 0.000 0.344 437 W C -0.263 176.232 176.519 -0.040 0.000 1.151 437 W CA -1.485 55.835 57.345 -0.043 0.000 1.765 437 W CB 0.477 29.910 29.460 -0.045 0.000 1.085 437 W HN -0.018 8.160 8.180 -0.414 -0.246 0.596 438 G N 0.077 108.699 108.800 -0.296 0.000 2.131 438 G HA2 -0.420 nan 3.960 nan 0.000 0.201 438 G HA3 -0.420 nan 3.960 nan 0.000 0.201 438 G C 0.635 175.222 174.900 -0.521 0.000 1.000 438 G CA 0.092 45.028 45.100 -0.273 0.000 0.680 438 G HN -0.590 7.551 8.290 -0.415 -0.099 0.514 439 E N 1.534 121.061 120.200 -1.122 0.000 2.160 439 E HA -0.315 nan 4.350 nan 0.000 0.195 439 E C 1.413 177.770 176.600 -0.406 0.000 0.991 439 E CA 3.020 58.783 56.400 -1.061 0.000 0.810 439 E CB -0.135 28.876 29.700 -1.148 0.000 0.742 439 E HN -0.100 7.793 8.360 -1.331 -0.332 0.466 440 T N -6.567 107.797 114.554 -0.317 0.000 3.025 440 T HA -0.114 nan 4.350 nan 0.000 0.270 440 T C 1.299 175.935 174.700 -0.107 0.000 1.126 440 T CA 1.951 63.950 62.100 -0.168 0.000 1.105 440 T CB -0.717 68.069 68.868 -0.136 0.000 0.884 440 T HN 0.473 8.465 8.240 -0.377 0.021 0.522 441 S N 0.690 116.327 115.700 -0.104 0.000 2.754 441 S HA 0.111 nan 4.470 nan 0.000 0.247 441 S C -0.568 174.029 174.600 -0.005 0.000 1.031 441 S CA -0.329 57.843 58.200 -0.047 0.000 1.014 441 S CB 1.024 64.199 63.200 -0.043 0.000 0.918 441 S HN -0.408 7.766 8.310 -0.152 0.045 0.519 442 A N 0.811 123.637 122.820 0.010 0.000 2.843 442 A HA 0.304 nan 4.320 nan 0.000 0.248 442 A C -1.068 176.633 177.584 0.196 0.000 0.904 442 A CA 0.581 52.701 52.037 0.137 0.000 1.091 442 A CB 0.282 19.407 19.000 0.207 0.000 1.208 442 A HN -0.100 7.851 8.150 -0.046 0.172 0.476 443 S N -4.142 111.607 115.700 0.081 0.000 2.701 443 S HA -0.015 nan 4.470 nan 0.000 0.242 443 S C 0.149 174.762 174.600 0.021 0.000 1.025 443 S CA -0.080 58.152 58.200 0.054 0.000 1.016 443 S CB 0.326 63.533 63.200 0.012 0.000 0.977 443 S HN -0.169 8.165 8.310 0.040 0.000 0.546 444 S N 2.419 118.138 115.700 0.032 0.000 2.474 444 S HA 0.239 nan 4.470 nan 0.000 0.276 444 S C 0.190 174.805 174.600 0.025 0.000 1.227 444 S CA -0.037 58.175 58.200 0.021 0.000 1.050 444 S CB 0.450 63.664 63.200 0.023 0.000 0.939 444 S HN -0.148 8.192 8.310 0.050 0.000 0.490 445 V N 8.088 128.012 119.914 0.017 0.000 2.432 445 V HA 0.384 nan 4.120 nan 0.000 0.275 445 V C -1.013 175.103 176.094 0.036 0.000 1.043 445 V CA -2.720 59.595 62.300 0.026 0.000 0.925 445 V CB 0.102 31.940 31.823 0.025 0.000 0.985 445 V HN 0.396 8.592 8.190 0.009 0.000 0.466 446 P HA 0.108 nan 4.420 nan 0.000 0.269 446 P C 0.216 177.547 177.300 0.051 0.000 1.215 446 P CA -0.467 62.663 63.100 0.049 0.000 0.780 446 P CB 1.198 32.933 31.700 0.059 0.000 0.898 447 G N 1.155 109.982 108.800 0.045 0.000 2.443 447 G HA2 -0.091 nan 3.960 nan 0.000 0.219 447 G HA3 -0.091 nan 3.960 nan 0.000 0.219 447 G C -0.171 174.760 174.900 0.052 0.000 1.131 447 G CA 0.393 45.520 45.100 0.044 0.000 0.775 447 G HN 0.101 8.416 8.290 0.042 0.000 0.547 448 T N 1.476 116.065 114.554 0.057 0.000 2.921 448 T HA 0.189 nan 4.350 nan 0.000 0.297 448 T C -1.269 173.478 174.700 0.079 0.000 1.013 448 T CA -0.762 61.375 62.100 0.062 0.000 0.990 448 T CB 1.759 70.658 68.868 0.051 0.000 1.023 448 T HN -0.528 7.724 8.240 0.056 0.022 0.447 449 c N 4.572 123.229 118.600 0.094 0.000 2.463 449 c HA 0.276 nan 4.570 nan 0.000 0.380 449 c C -0.825 173.333 174.090 0.113 0.000 1.264 449 c CA -1.438 54.966 56.329 0.125 0.000 2.161 449 c CB 0.460 43.068 42.510 0.163 0.000 2.515 449 c HN 0.432 8.715 8.230 0.089 0.000 0.565 450 A N 3.355 126.260 122.820 0.142 0.000 2.386 450 A HA 0.347 nan 4.320 nan 0.000 0.311 450 A C -2.002 175.663 177.584 0.135 0.000 1.068 450 A CA -1.406 50.698 52.037 0.112 0.000 0.743 450 A CB 3.039 22.101 19.000 0.104 0.000 1.258 450 A HN 0.741 9.351 8.150 0.183 -0.349 0.429 451 A N 1.602 124.439 122.820 0.028 0.000 2.376 451 A HA 0.144 nan 4.320 nan 0.000 0.298 451 A C -0.775 176.764 177.584 -0.076 0.000 1.271 451 A CA 0.255 52.242 52.037 -0.085 0.000 0.926 451 A CB -0.209 18.708 19.000 -0.138 0.000 1.141 451 A HN 0.268 8.424 8.150 0.009 0.000 0.539 452 T N 1.991 116.497 114.554 -0.079 0.000 2.671 452 T HA 0.293 nan 4.350 nan 0.000 0.300 452 T C -2.666 171.978 174.700 -0.094 0.000 1.238 452 T CA -1.031 61.057 62.100 -0.020 0.000 1.020 452 T CB 1.454 70.404 68.868 0.136 0.000 1.503 452 T HN 0.076 8.228 8.240 -0.147 0.000 0.497 453 S N -1.250 114.451 115.700 0.003 0.000 2.636 453 S HA 0.468 nan 4.470 nan 0.000 0.268 453 S C -2.243 172.403 174.600 0.076 0.000 1.159 453 S CA -0.700 57.508 58.200 0.014 0.000 0.815 453 S CB 3.322 66.405 63.200 -0.196 0.000 1.130 453 S HN -0.083 8.244 8.310 0.028 0.000 0.471 454 A N -0.393 122.474 122.820 0.079 0.000 2.488 454 A HA 0.362 nan 4.320 nan 0.000 0.298 454 A C -2.066 175.491 177.584 -0.045 0.000 1.044 454 A CA -0.533 51.546 52.037 0.070 0.000 0.693 454 A CB 2.496 21.614 19.000 0.196 0.000 1.272 454 A HN 0.017 8.216 8.150 0.082 0.000 0.402 455 S N 1.322 116.950 115.700 -0.119 0.000 2.480 455 S HA 0.258 nan 4.470 nan 0.000 0.286 455 S C -0.060 174.272 174.600 -0.446 0.000 1.180 455 S CA -0.961 57.082 58.200 -0.263 0.000 1.075 455 S CB 0.420 63.502 63.200 -0.196 0.000 0.996 455 S HN 0.158 8.425 8.310 -0.071 0.000 0.487 456 G N 3.737 112.003 108.800 -0.890 0.000 3.348 456 G HA2 0.270 nan 3.960 nan 0.000 0.180 456 G HA3 0.270 nan 3.960 nan 0.000 0.180 456 G C -1.735 172.464 174.900 -1.168 0.000 1.915 456 G CA 0.073 44.131 45.100 -1.737 0.000 0.937 456 G HN 0.151 7.963 8.290 -0.796 0.000 0.564 457 T N -0.091 113.724 114.554 -1.233 0.000 2.932 457 T HA 0.215 nan 4.350 nan 0.000 0.318 457 T C -2.000 172.280 174.700 -0.701 0.000 1.265 457 T CA -0.313 61.370 62.100 -0.696 0.000 1.036 457 T CB 1.976 70.621 68.868 -0.373 0.000 1.209 457 T HN -0.212 7.142 8.240 -1.478 0.000 0.484 458 Y N 2.035 122.251 120.300 -0.140 0.000 2.462 458 Y HA 0.304 nan 4.550 nan 0.000 0.346 458 Y C -1.384 174.477 175.900 -0.065 0.000 0.976 458 Y CA -1.101 56.947 58.100 -0.087 0.000 1.044 458 Y CB 2.810 41.238 38.460 -0.053 0.000 1.230 458 Y HN 0.087 8.332 8.280 -0.057 0.000 0.455 459 S N 2.483 118.241 115.700 0.096 0.000 2.563 459 S HA 0.161 nan 4.470 nan 0.000 0.279 459 S C -1.785 172.825 174.600 0.016 0.000 1.155 459 S CA 0.098 58.320 58.200 0.036 0.000 0.928 459 S CB 1.180 64.379 63.200 -0.000 0.000 1.107 459 S HN 0.200 8.875 8.310 0.103 -0.304 0.462 460 S N 5.137 120.841 115.700 0.007 0.000 2.533 460 S HA 0.115 nan 4.470 nan 0.000 0.282 460 S C -0.417 174.168 174.600 -0.024 0.000 1.304 460 S CA 0.170 58.363 58.200 -0.011 0.000 1.063 460 S CB 0.619 63.809 63.200 -0.015 0.000 0.881 460 S HN 0.019 8.335 8.310 0.010 0.000 0.493 461 V N 5.718 125.611 119.914 -0.036 0.000 2.472 461 V HA 0.118 nan 4.120 nan 0.000 0.290 461 V C -0.363 175.701 176.094 -0.049 0.000 1.037 461 V CA -0.528 61.745 62.300 -0.045 0.000 0.908 461 V CB 1.424 33.216 31.823 -0.052 0.000 0.985 461 V HN 0.091 8.259 8.190 -0.037 0.000 0.454 462 T N 6.619 121.142 114.554 -0.051 0.000 2.809 462 T HA 0.203 nan 4.350 nan 0.000 0.284 462 T C -0.731 173.926 174.700 -0.073 0.000 0.992 462 T CA -0.362 61.706 62.100 -0.053 0.000 0.957 462 T CB 0.876 69.719 68.868 -0.041 0.000 0.942 462 T HN 0.178 8.388 8.240 -0.050 0.000 0.439 463 V N 7.108 126.973 119.914 -0.080 0.000 2.322 463 V HA 0.193 nan 4.120 nan 0.000 0.258 463 V C 0.775 176.811 176.094 -0.097 0.000 1.074 463 V CA 0.027 62.249 62.300 -0.130 0.000 0.909 463 V CB -1.200 30.543 31.823 -0.134 0.000 1.090 463 V HN 0.533 8.686 8.190 -0.062 0.000 0.486 464 T N 7.643 122.138 114.554 -0.097 0.000 2.674 464 T HA -0.162 nan 4.350 nan 0.000 0.265 464 T C -0.444 174.232 174.700 -0.041 0.000 1.039 464 T CA 2.002 64.069 62.100 -0.056 0.000 1.150 464 T CB 0.319 69.159 68.868 -0.047 0.000 0.864 464 T HN 0.732 8.904 8.240 -0.114 0.000 0.427 465 S N -2.152 113.499 115.700 -0.081 0.000 2.595 465 S HA 0.169 nan 4.470 nan 0.000 0.270 465 S C -1.997 172.552 174.600 -0.084 0.000 1.145 465 S CA -0.993 57.200 58.200 -0.011 0.000 0.825 465 S CB 1.085 64.310 63.200 0.043 0.000 1.107 465 S HN -0.494 7.729 8.310 -0.146 0.000 0.461 466 W N 2.367 123.696 121.300 0.048 0.000 2.433 466 W HA 0.382 nan 4.660 nan 0.000 0.315 466 W C -1.600 174.950 176.519 0.052 0.000 1.087 466 W CA -1.736 55.643 57.345 0.056 0.000 1.205 466 W CB 0.545 30.037 29.460 0.052 0.000 1.288 466 W HN -0.024 8.352 8.180 0.328 0.000 0.504 467 P HA -0.030 nan 4.420 nan 0.000 0.270 467 P C -1.056 176.362 177.300 0.197 0.000 1.223 467 P CA -0.535 62.695 63.100 0.216 0.000 0.785 467 P CB 1.133 32.972 31.700 0.231 0.000 0.923 468 S N -0.229 115.568 115.700 0.161 0.000 3.065 468 S HA -0.040 nan 4.470 nan 0.000 0.311 468 S C -0.306 174.359 174.600 0.109 0.000 1.204 468 S CA -0.064 58.212 58.200 0.127 0.000 1.040 468 S CB -0.803 62.470 63.200 0.121 0.000 1.436 468 S HN 0.061 8.470 8.310 0.164 0.000 0.532 469 I N 5.865 126.432 120.570 -0.004 0.000 2.416 469 I HA -0.104 nan 4.170 nan 0.000 0.288 469 I C -0.770 175.378 176.117 0.052 0.000 1.051 469 I CA 0.145 61.325 61.300 -0.201 0.000 1.375 469 I CB 0.697 38.494 38.000 -0.338 0.000 1.407 469 I HN -0.415 7.793 8.210 0.022 0.015 0.516 470 V N 9.433 129.479 119.914 0.220 0.000 2.350 470 V HA 0.217 nan 4.120 nan 0.000 0.285 470 V C -1.231 175.080 176.094 0.361 0.000 1.014 470 V CA -0.894 61.552 62.300 0.244 0.000 0.831 470 V CB 1.095 33.047 31.823 0.215 0.000 1.000 470 V HN 0.083 8.493 8.190 0.367 0.000 0.433 471 A N 8.528 131.543 122.820 0.325 0.000 2.276 471 A HA 0.518 nan 4.320 nan 0.000 0.316 471 A C -1.613 176.092 177.584 0.202 0.000 1.229 471 A CA -0.726 51.545 52.037 0.388 0.000 0.851 471 A CB 1.414 20.617 19.000 0.339 0.000 1.165 471 A HN 0.200 8.487 8.150 0.229 0.000 0.513 472 T N 3.010 117.676 114.554 0.187 0.000 2.952 472 T HA 0.253 nan 4.350 nan 0.000 0.305 472 T C -1.633 173.108 174.700 0.068 0.000 1.064 472 T CA 0.006 62.163 62.100 0.095 0.000 1.008 472 T CB 2.179 71.101 68.868 0.090 0.000 1.078 472 T HN 0.172 8.572 8.240 0.267 0.000 0.459 473 G N 0.000 108.812 108.800 0.020 0.000 5.446 473 G HA2 0.000 nan 3.960 nan 0.000 0.244 473 G HA3 0.000 nan 3.960 nan 0.000 0.244 473 G CA 0.000 45.104 45.100 0.007 0.000 0.502 473 G HN 0.000 8.294 8.290 0.006 0.000 0.925