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 1qgj_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLSPDIYAKS CPNLVQIVRK QVAIALKAEI RMAASLIRLH FHDcFVNGcD DATA SEQUENCE ASLLLDGADS EKLAIPNINS ARGFEVIDTI KAAVENACPG VVScADILTL DATA SEQUENCE AARDSVVLSG GPGWRVALGR KDGLVANQNS ANNLPSPFEP LDAIIAKFVA DATA SEQUENCE VNLNITDVVA LSGAHTFGQA KcAVFSNRLF NFTGAGNPDA TLETSLLSNL DATA SEQUENCE QTVcPLGGNS NITAPLDRST TDTFDNNYFK NLLEGKGLLS SDQILFSSDL DATA SEQUENCE AVNTTKKLVE AYSRSQSLFF RDFTCAMIRM GNISNGASGE VRTNcRVINN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 1 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 1 Q CB 0.000 28.727 28.738 -0.018 0.000 1.108 2 L N 1.566 122.778 121.223 -0.019 0.000 2.418 2 L HA 0.830 5.170 4.340 -0.001 0.000 0.265 2 L C 0.384 177.234 176.870 -0.032 0.000 1.143 2 L CA -0.529 54.294 54.840 -0.028 0.000 0.809 2 L CB 1.533 43.591 42.059 -0.002 0.000 1.124 2 L HN 0.642 nan 8.230 nan 0.000 0.456 3 S N 1.207 116.874 115.700 -0.055 0.000 2.533 3 S HA 0.462 4.932 4.470 -0.001 0.000 0.271 3 S C -2.357 172.209 174.600 -0.056 0.000 1.143 3 S CA -1.071 57.099 58.200 -0.049 0.000 0.891 3 S CB 2.119 65.283 63.200 -0.061 0.000 1.105 3 S HN 0.281 nan 8.310 nan 0.000 0.468 4 P HA 0.069 nan 4.420 nan 0.000 0.221 4 P C 0.061 177.349 177.300 -0.020 0.000 1.150 4 P CA 0.896 63.989 63.100 -0.012 0.000 0.800 4 P CB 0.103 31.805 31.700 0.003 0.000 0.787 5 D N -1.574 118.804 120.400 -0.036 0.000 2.368 5 D HA 0.066 4.705 4.640 -0.001 0.000 0.218 5 D C 1.459 177.715 176.300 -0.073 0.000 1.112 5 D CA -0.196 53.786 54.000 -0.029 0.000 0.834 5 D CB -0.331 40.458 40.800 -0.017 0.000 0.953 5 D HN 0.036 nan 8.370 nan 0.000 0.505 6 I N 0.263 120.727 120.570 -0.176 0.000 2.399 6 I HA -0.279 3.890 4.170 -0.001 0.000 0.254 6 I C 0.731 176.662 176.117 -0.310 0.000 1.146 6 I CA 1.535 62.654 61.300 -0.303 0.000 1.412 6 I CB -0.126 37.575 38.000 -0.499 0.000 1.076 6 I HN -0.010 nan 8.210 nan 0.000 0.432 7 Y N -0.336 119.963 120.300 -0.002 0.000 2.607 7 Y HA 0.501 5.050 4.550 -0.001 0.000 0.266 7 Y C 2.027 177.924 175.900 -0.005 0.000 1.178 7 Y CA 0.010 58.107 58.100 -0.004 0.000 1.226 7 Y CB -1.063 37.393 38.460 -0.006 0.000 1.144 7 Y HN 0.091 nan 8.280 nan 0.000 0.528 8 A N 0.529 123.405 122.820 0.094 0.000 1.986 8 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 8 A C 2.167 179.784 177.584 0.054 0.000 1.171 8 A CA 2.019 54.091 52.037 0.059 0.000 0.640 8 A CB -0.180 18.835 19.000 0.025 0.000 0.811 8 A HN 0.421 nan 8.150 nan 0.000 0.451 9 K N -0.832 119.603 120.400 0.058 0.000 2.214 9 K HA 0.000 4.319 4.320 -0.001 0.000 0.201 9 K C 2.364 178.997 176.600 0.055 0.000 1.049 9 K CA 0.990 57.303 56.287 0.045 0.000 0.978 9 K CB 0.010 32.529 32.500 0.033 0.000 0.842 9 K HN 0.591 nan 8.250 nan 0.000 0.474 10 S N -0.083 115.671 115.700 0.089 0.000 2.406 10 S HA -0.070 4.399 4.470 -0.001 0.000 0.228 10 S C 1.254 175.884 174.600 0.051 0.000 1.020 10 S CA 0.252 58.503 58.200 0.085 0.000 0.965 10 S CB -0.040 63.245 63.200 0.142 0.000 0.798 10 S HN 0.300 nan 8.310 nan 0.000 0.488 11 C N 2.225 121.565 119.300 0.067 0.000 3.392 11 C HA 0.515 4.974 4.460 -0.001 0.000 0.217 11 C C -2.120 172.885 174.990 0.025 0.000 1.222 11 C CA -1.447 57.567 59.018 -0.006 0.000 1.200 11 C CB 0.031 27.687 27.740 -0.140 0.000 1.818 11 C HN 0.258 nan 8.230 nan 0.000 0.586 12 P HA -0.130 nan 4.420 nan 0.000 0.216 12 P C 1.003 178.310 177.300 0.011 0.000 1.157 12 P CA 1.706 64.822 63.100 0.026 0.000 0.880 12 P CB 0.100 31.808 31.700 0.014 0.000 0.791 13 N N -1.021 117.675 118.700 -0.006 0.000 2.370 13 N HA 0.010 4.749 4.740 -0.001 0.000 0.198 13 N C 1.439 176.933 175.510 -0.028 0.000 1.156 13 N CA -0.080 52.961 53.050 -0.016 0.000 0.839 13 N CB -0.377 38.098 38.487 -0.020 0.000 0.989 13 N HN 0.076 nan 8.380 nan 0.000 0.468 14 L N 1.078 122.283 121.223 -0.031 0.000 1.978 14 L HA -0.232 4.108 4.340 -0.001 0.000 0.218 14 L C 1.975 178.819 176.870 -0.043 0.000 1.075 14 L CA 1.762 56.570 54.840 -0.054 0.000 0.767 14 L CB -0.881 41.140 42.059 -0.062 0.000 0.890 14 L HN -0.080 nan 8.230 nan 0.000 0.434 15 V N -0.523 119.375 119.914 -0.026 0.000 2.282 15 V HA -0.383 3.736 4.120 -0.001 0.000 0.249 15 V C 2.667 178.730 176.094 -0.051 0.000 1.057 15 V CA 2.165 64.440 62.300 -0.042 0.000 1.032 15 V CB -0.814 30.985 31.823 -0.039 0.000 0.645 15 V HN 0.560 nan 8.190 nan 0.000 0.447 16 Q N -0.427 119.348 119.800 -0.041 0.000 2.084 16 Q HA -0.076 4.263 4.340 -0.001 0.000 0.202 16 Q C 2.035 178.009 176.000 -0.042 0.000 0.978 16 Q CA 1.708 57.487 55.803 -0.041 0.000 0.844 16 Q CB -0.479 28.240 28.738 -0.031 0.000 0.898 16 Q HN 0.622 nan 8.270 nan 0.000 0.426 17 I N -0.546 119.998 120.570 -0.043 0.000 2.179 17 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 17 I C 1.935 178.024 176.117 -0.047 0.000 1.088 17 I CA 0.950 62.224 61.300 -0.043 0.000 1.357 17 I CB -0.348 37.623 38.000 -0.048 0.000 1.051 17 I HN 0.043 nan 8.210 nan 0.000 0.409 18 V N 0.792 120.673 119.914 -0.055 0.000 2.343 18 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 18 V C 2.564 178.622 176.094 -0.060 0.000 1.051 18 V CA 1.787 64.052 62.300 -0.058 0.000 1.036 18 V CB -0.785 30.998 31.823 -0.066 0.000 0.654 18 V HN 0.362 nan 8.190 nan 0.000 0.451 19 R N 0.155 120.616 120.500 -0.065 0.000 2.083 19 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 19 R C 2.435 178.704 176.300 -0.052 0.000 1.137 19 R CA 1.712 57.772 56.100 -0.067 0.000 0.951 19 R CB -0.391 29.867 30.300 -0.070 0.000 0.851 19 R HN 0.490 nan 8.270 nan 0.000 0.434 20 K N 0.187 120.560 120.400 -0.044 0.000 2.103 20 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 20 K C 2.245 178.825 176.600 -0.033 0.000 1.048 20 K CA 1.173 57.440 56.287 -0.035 0.000 0.930 20 K CB 0.020 32.502 32.500 -0.031 0.000 0.716 20 K HN 0.129 nan 8.250 nan 0.000 0.444 21 Q N 0.237 120.015 119.800 -0.035 0.000 2.172 21 Q HA -0.067 4.273 4.340 -0.001 0.000 0.200 21 Q C 2.239 178.219 176.000 -0.034 0.000 0.964 21 Q CA 0.938 56.722 55.803 -0.032 0.000 0.855 21 Q CB -0.107 28.612 28.738 -0.032 0.000 0.918 21 Q HN 0.150 nan 8.270 nan 0.000 0.444 22 V N 1.087 120.977 119.914 -0.041 0.000 2.358 22 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 22 V C 2.349 178.422 176.094 -0.036 0.000 1.047 22 V CA 1.598 63.873 62.300 -0.042 0.000 1.035 22 V CB -0.993 30.797 31.823 -0.053 0.000 0.658 22 V HN 0.282 nan 8.190 nan 0.000 0.452 23 A N -0.101 122.699 122.820 -0.034 0.000 1.933 23 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 23 A C 2.186 179.757 177.584 -0.022 0.000 1.175 23 A CA 1.809 53.831 52.037 -0.026 0.000 0.628 23 A CB -0.518 18.467 19.000 -0.026 0.000 0.814 23 A HN 0.504 nan 8.150 nan 0.000 0.444 24 I N -0.411 120.145 120.570 -0.023 0.000 2.252 24 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 24 I C 2.966 179.072 176.117 -0.020 0.000 1.102 24 I CA 1.019 62.308 61.300 -0.019 0.000 1.385 24 I CB -0.275 37.714 38.000 -0.019 0.000 1.064 24 I HN 0.362 nan 8.210 nan 0.000 0.414 25 A N 0.845 123.650 122.820 -0.024 0.000 1.902 25 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 25 A C 2.268 179.835 177.584 -0.029 0.000 1.181 25 A CA 1.312 53.332 52.037 -0.028 0.000 0.623 25 A CB -0.787 18.192 19.000 -0.034 0.000 0.818 25 A HN 0.389 nan 8.150 nan 0.000 0.443 26 L N -0.685 120.521 121.223 -0.028 0.000 2.141 26 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 26 L C 2.590 179.451 176.870 -0.016 0.000 1.094 26 L CA 1.744 56.570 54.840 -0.024 0.000 0.763 26 L CB -0.535 41.515 42.059 -0.016 0.000 0.908 26 L HN 0.506 nan 8.230 nan 0.000 0.437 27 K N 0.829 121.221 120.400 -0.013 0.000 2.097 27 K HA -0.146 4.173 4.320 -0.001 0.000 0.205 27 K C 2.097 178.691 176.600 -0.010 0.000 1.050 27 K CA 1.267 57.548 56.287 -0.009 0.000 0.938 27 K CB 0.052 32.547 32.500 -0.009 0.000 0.718 27 K HN 0.248 nan 8.250 nan 0.000 0.442 28 A N 0.588 123.400 122.820 -0.014 0.000 1.930 28 A HA -0.044 4.275 4.320 -0.001 0.000 0.215 28 A C 0.603 178.177 177.584 -0.016 0.000 1.176 28 A CA 0.899 52.928 52.037 -0.013 0.000 0.632 28 A CB 0.062 19.053 19.000 -0.014 0.000 0.819 28 A HN 0.439 nan 8.150 nan 0.000 0.445 29 E N -0.916 119.271 120.200 -0.022 0.000 2.378 29 E HA 0.304 4.653 4.350 -0.001 0.000 0.282 29 E C -0.152 176.427 176.600 -0.036 0.000 0.910 29 E CA -0.365 56.019 56.400 -0.028 0.000 0.816 29 E CB 1.059 30.738 29.700 -0.034 0.000 1.359 29 E HN 0.106 nan 8.360 nan 0.000 0.397 30 I N 4.407 124.961 120.570 -0.028 0.000 2.361 30 I HA -0.166 4.003 4.170 -0.001 0.000 0.251 30 I C 2.190 178.267 176.117 -0.065 0.000 1.133 30 I CA 1.521 62.804 61.300 -0.028 0.000 1.413 30 I CB -0.210 37.788 38.000 -0.003 0.000 1.073 30 I HN 0.572 nan 8.210 nan 0.000 0.424 31 R N -0.343 120.111 120.500 -0.076 0.000 2.200 31 R HA -0.176 4.164 4.340 -0.001 0.000 0.234 31 R C 1.976 178.173 176.300 -0.171 0.000 1.127 31 R CA 1.128 57.154 56.100 -0.125 0.000 0.989 31 R CB -0.128 30.117 30.300 -0.091 0.000 0.869 31 R HN 0.267 nan 8.270 nan 0.000 0.459 32 M N 0.181 119.704 119.600 -0.128 0.000 2.346 32 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 32 M C 2.178 178.382 176.300 -0.160 0.000 1.064 32 M CA 1.381 56.603 55.300 -0.131 0.000 1.083 32 M CB -0.912 31.634 32.600 -0.090 0.000 1.399 32 M HN 0.302 nan 8.290 nan 0.000 0.435 33 A N 0.043 122.751 122.820 -0.186 0.000 1.877 33 A HA -0.027 4.293 4.320 -0.001 0.000 0.216 33 A C 2.422 179.771 177.584 -0.391 0.000 1.186 33 A CA 2.089 54.011 52.037 -0.192 0.000 0.620 33 A CB -0.846 18.086 19.000 -0.112 0.000 0.822 33 A HN 0.467 nan 8.150 nan 0.000 0.443 34 A N -0.572 121.814 122.820 -0.723 0.000 1.873 34 A HA -0.049 4.270 4.320 -0.001 0.000 0.215 34 A C 2.443 179.842 177.584 -0.308 0.000 1.186 34 A CA 2.029 53.559 52.037 -0.845 0.000 0.616 34 A CB -0.936 17.590 19.000 -0.790 0.000 0.823 34 A HN 0.456 nan 8.150 nan 0.000 0.442 35 S N 0.072 115.628 115.700 -0.240 0.000 2.370 35 S HA -0.135 4.335 4.470 -0.001 0.000 0.226 35 S C 1.826 176.346 174.600 -0.133 0.000 1.033 35 S CA 1.565 59.662 58.200 -0.171 0.000 1.011 35 S CB -0.500 62.593 63.200 -0.178 0.000 0.852 35 S HN 0.496 nan 8.310 nan 0.000 0.457 36 L N 0.749 121.906 121.223 -0.109 0.000 2.046 36 L HA -0.034 4.306 4.340 -0.001 0.000 0.208 36 L C 2.353 179.249 176.870 0.044 0.000 1.077 36 L CA 1.131 55.941 54.840 -0.050 0.000 0.747 36 L CB -0.408 41.624 42.059 -0.045 0.000 0.896 36 L HN 0.306 nan 8.230 nan 0.000 0.432 37 I N -0.380 120.247 120.570 0.094 0.000 2.439 37 I HA -0.271 3.898 4.170 -0.001 0.000 0.251 37 I C 2.795 179.061 176.117 0.249 0.000 1.139 37 I CA 1.008 62.450 61.300 0.236 0.000 1.438 37 I CB -0.060 38.159 38.000 0.366 0.000 1.085 37 I HN 0.202 nan 8.210 nan 0.000 0.427 38 R N 0.665 121.247 120.500 0.138 0.000 2.092 38 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 38 R C 2.228 178.545 176.300 0.027 0.000 1.119 38 R CA 1.333 57.493 56.100 0.101 0.000 0.970 38 R CB -0.181 30.099 30.300 -0.033 0.000 0.864 38 R HN 0.412 nan 8.270 nan 0.000 0.440 39 L N -0.511 120.724 121.223 0.021 0.000 2.046 39 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 39 L C 2.525 179.501 176.870 0.176 0.000 1.077 39 L CA 1.546 56.415 54.840 0.049 0.000 0.747 39 L CB -0.645 41.419 42.059 0.008 0.000 0.896 39 L HN 0.353 nan 8.230 nan 0.000 0.432 40 H N -0.019 119.124 119.070 0.121 0.000 2.353 40 H HA -0.260 4.295 4.556 -0.001 0.000 0.300 40 H C 2.023 177.492 175.328 0.234 0.000 1.090 40 H CA 1.887 58.033 56.048 0.165 0.000 1.327 40 H CB -0.336 29.529 29.762 0.172 0.000 1.383 40 H HN 0.323 nan 8.280 nan 0.000 0.508 41 F N 0.094 120.073 119.950 0.048 0.000 2.069 41 F HA -0.259 4.267 4.527 -0.001 0.000 0.298 41 F C 2.332 178.187 175.800 0.093 0.000 1.113 41 F CA 1.929 59.918 58.000 -0.018 0.000 1.214 41 F CB -0.447 38.532 39.000 -0.036 0.000 0.978 41 F HN 0.303 nan 8.300 nan 0.000 0.474 42 H N -1.204 117.611 119.070 -0.425 0.000 2.521 42 H HA -0.158 4.397 4.556 -0.001 0.000 0.286 42 H C 1.431 176.660 175.328 -0.165 0.000 1.034 42 H CA 0.766 56.530 56.048 -0.473 0.000 1.278 42 H CB -0.061 29.528 29.762 -0.287 0.000 1.386 42 H HN 0.412 nan 8.280 nan 0.000 0.567 43 D N 0.157 120.599 120.400 0.070 0.000 2.110 43 D HA -0.101 4.538 4.640 -0.001 0.000 0.202 43 D C 2.169 178.494 176.300 0.041 0.000 0.975 43 D CA 0.758 54.802 54.000 0.074 0.000 0.839 43 D CB -0.416 40.461 40.800 0.128 0.000 0.996 43 D HN 0.217 nan 8.370 nan 0.000 0.464 44 c N -0.090 118.523 118.600 0.021 0.000 2.422 44 c HA -0.055 4.514 4.570 -0.001 0.000 0.279 44 c C 2.267 176.399 174.090 0.069 0.000 1.305 44 c CA 0.164 56.509 56.329 0.027 0.000 1.757 44 c CB -1.531 40.964 42.510 -0.025 0.000 1.962 44 c HN 0.278 nan 8.230 nan 0.000 0.499 45 F N 0.374 120.234 119.950 -0.150 0.000 2.811 45 F HA 0.184 4.710 4.527 -0.001 0.000 0.301 45 F C 0.664 176.375 175.800 -0.148 0.000 1.151 45 F CA 0.615 58.515 58.000 -0.167 0.000 1.412 45 F CB -0.012 38.836 39.000 -0.253 0.000 1.113 45 F HN -0.057 nan 8.300 nan 0.000 0.579 46 V N 0.284 120.200 119.914 0.002 0.000 2.488 46 V HA 0.243 4.362 4.120 -0.001 0.000 0.293 46 V C -0.230 175.849 176.094 -0.024 0.000 1.027 46 V CA -1.165 61.119 62.300 -0.026 0.000 0.862 46 V CB 1.232 33.033 31.823 -0.037 0.000 1.008 46 V HN 0.225 nan 8.190 nan 0.000 0.428 47 N N 3.407 122.086 118.700 -0.034 0.000 2.708 47 N HA -0.171 4.568 4.740 -0.001 0.000 0.251 47 N C 0.555 176.052 175.510 -0.022 0.000 1.123 47 N CA 2.014 55.049 53.050 -0.025 0.000 0.739 47 N CB -0.936 37.544 38.487 -0.013 0.000 1.113 47 N HN 1.751 nan 8.380 nan 0.000 0.561 48 G N -1.416 107.362 108.800 -0.037 0.000 2.855 48 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.352 48 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.352 48 G C 0.157 175.059 174.900 0.003 0.000 1.415 48 G CA -0.303 44.779 45.100 -0.030 0.000 0.871 48 G HN 0.717 nan 8.290 nan 0.000 0.543 49 c N 1.427 120.038 118.600 0.019 0.000 2.485 49 c HA 0.449 5.018 4.570 -0.001 0.000 0.408 49 c C 1.022 175.160 174.090 0.079 0.000 1.034 49 c CA 0.311 56.679 56.329 0.064 0.000 1.267 49 c CB -1.502 41.072 42.510 0.106 0.000 1.703 49 c HN 0.800 nan 8.230 nan 0.000 0.530 50 D N 0.332 120.772 120.400 0.067 0.000 2.582 50 D HA 0.196 4.835 4.640 -0.001 0.000 0.246 50 D C 1.019 177.358 176.300 0.065 0.000 1.334 50 D CA 0.301 54.337 54.000 0.060 0.000 0.805 50 D CB -0.239 40.583 40.800 0.037 0.000 1.087 50 D HN 0.512 nan 8.370 nan 0.000 0.499 51 A N 0.764 123.636 122.820 0.086 0.000 2.816 51 A HA -0.300 4.019 4.320 -0.001 0.000 0.270 51 A C 1.879 179.501 177.584 0.064 0.000 1.413 51 A CA 1.494 53.584 52.037 0.089 0.000 0.866 51 A CB -2.637 16.413 19.000 0.083 0.000 1.032 51 A HN 0.800 nan 8.150 nan 0.000 0.642 52 S N -1.207 114.522 115.700 0.049 0.000 2.399 52 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 52 S C 1.660 176.275 174.600 0.024 0.000 1.022 52 S CA 1.427 59.643 58.200 0.026 0.000 0.983 52 S CB -0.383 62.827 63.200 0.015 0.000 0.803 52 S HN 1.605 nan 8.310 nan 0.000 0.480 53 L N 1.276 122.531 121.223 0.054 0.000 2.191 53 L HA 0.196 4.535 4.340 -0.001 0.000 0.212 53 L C 1.966 178.858 176.870 0.038 0.000 1.103 53 L CA 1.410 56.292 54.840 0.070 0.000 0.769 53 L CB -0.590 41.559 42.059 0.150 0.000 0.908 53 L HN 0.363 nan 8.230 nan 0.000 0.438 54 L N -0.723 120.533 121.223 0.054 0.000 2.478 54 L HA -0.019 4.320 4.340 -0.001 0.000 0.223 54 L C 0.709 177.524 176.870 -0.092 0.000 1.140 54 L CA -0.135 54.706 54.840 0.001 0.000 0.842 54 L CB -0.457 41.652 42.059 0.083 0.000 0.953 54 L HN 0.143 nan 8.230 nan 0.000 0.452 55 L N 0.612 121.795 121.223 -0.067 0.000 2.410 55 L HA 0.095 4.434 4.340 -0.001 0.000 0.273 55 L C 0.074 176.877 176.870 -0.113 0.000 1.152 55 L CA -0.132 54.665 54.840 -0.071 0.000 0.855 55 L CB 0.393 42.428 42.059 -0.039 0.000 1.129 55 L HN 0.020 nan 8.230 nan 0.000 0.463 56 D N 1.443 121.779 120.400 -0.107 0.000 2.423 56 D HA 0.732 5.371 4.640 -0.001 0.000 0.255 56 D C 0.334 176.591 176.300 -0.072 0.000 1.174 56 D CA 0.181 54.114 54.000 -0.113 0.000 1.008 56 D CB 1.766 42.504 40.800 -0.102 0.000 1.101 56 D HN 0.705 nan 8.370 nan 0.000 0.516 57 G N -1.640 107.122 108.800 -0.063 0.000 2.340 57 G HA2 0.288 4.248 3.960 -0.001 0.000 0.527 57 G HA3 0.288 4.248 3.960 -0.001 0.000 0.527 57 G C 0.307 175.185 174.900 -0.037 0.000 1.381 57 G CA 0.030 45.105 45.100 -0.043 0.000 1.001 57 G HN 0.445 nan 8.290 nan 0.000 0.626 58 A N -0.419 122.385 122.820 -0.026 0.000 2.070 58 A HA 0.152 4.471 4.320 -0.001 0.000 0.220 58 A C 1.724 179.297 177.584 -0.019 0.000 1.159 58 A CA 2.464 54.489 52.037 -0.020 0.000 0.656 58 A CB -0.287 18.704 19.000 -0.015 0.000 0.800 58 A HN 1.286 nan 8.150 nan 0.000 0.453 59 D N -1.010 119.377 120.400 -0.021 0.000 2.402 59 D HA 0.134 4.773 4.640 -0.001 0.000 0.216 59 D C 0.500 176.785 176.300 -0.024 0.000 1.128 59 D CA 0.295 54.284 54.000 -0.019 0.000 0.833 59 D CB -0.766 40.025 40.800 -0.016 0.000 0.971 59 D HN 0.124 nan 8.370 nan 0.000 0.503 60 S N 0.242 115.921 115.700 -0.034 0.000 2.563 60 S HA -0.052 4.417 4.470 -0.001 0.000 0.284 60 S C 1.166 175.744 174.600 -0.036 0.000 1.331 60 S CA -0.136 58.035 58.200 -0.047 0.000 1.047 60 S CB 0.844 63.998 63.200 -0.076 0.000 0.859 60 S HN 0.185 nan 8.310 nan 0.000 0.514 61 E N 2.390 122.569 120.200 -0.035 0.000 2.268 61 E HA -0.087 4.262 4.350 -0.001 0.000 0.195 61 E C 1.648 178.248 176.600 -0.001 0.000 0.995 61 E CA 0.748 57.138 56.400 -0.017 0.000 0.836 61 E CB 0.033 29.728 29.700 -0.009 0.000 0.763 61 E HN 0.629 nan 8.360 nan 0.000 0.491 62 K N 0.296 120.678 120.400 -0.029 0.000 2.360 62 K HA -0.081 4.238 4.320 -0.001 0.000 0.201 62 K C 1.559 178.173 176.600 0.023 0.000 1.046 62 K CA 0.677 56.960 56.287 -0.006 0.000 0.945 62 K CB 0.103 32.514 32.500 -0.149 0.000 0.750 62 K HN 0.189 nan 8.250 nan 0.000 0.464 63 L N 0.314 121.539 121.223 0.003 0.000 2.607 63 L HA 0.180 4.519 4.340 -0.001 0.000 0.228 63 L C 0.810 177.691 176.870 0.019 0.000 1.123 63 L CA -0.588 54.259 54.840 0.012 0.000 0.890 63 L CB 0.002 42.061 42.059 -0.001 0.000 1.103 63 L HN -0.000 nan 8.230 nan 0.000 0.468 64 A N 0.388 123.217 122.820 0.015 0.000 2.466 64 A HA 0.135 4.454 4.320 -0.001 0.000 0.238 64 A C 1.487 179.086 177.584 0.025 0.000 1.074 64 A CA -0.146 51.897 52.037 0.010 0.000 0.774 64 A CB 0.227 19.220 19.000 -0.012 0.000 1.015 64 A HN 0.224 nan 8.150 nan 0.000 0.498 65 I N 1.129 121.715 120.570 0.026 0.000 2.143 65 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 65 I C -0.562 175.588 176.117 0.056 0.000 1.068 65 I CA 1.973 63.300 61.300 0.045 0.000 1.326 65 I CB -1.092 36.939 38.000 0.052 0.000 1.028 65 I HN 0.535 nan 8.210 nan 0.000 0.412 66 P HA 0.000 nan 4.420 nan 0.000 0.231 66 P C 0.992 178.367 177.300 0.125 0.000 1.168 66 P CA 0.982 64.119 63.100 0.062 0.000 0.779 66 P CB 0.065 31.753 31.700 -0.020 0.000 0.844 67 N N -0.713 118.050 118.700 0.104 0.000 2.432 67 N HA 0.052 4.791 4.740 -0.001 0.000 0.174 67 N C 0.817 176.409 175.510 0.138 0.000 1.037 67 N CA -0.056 53.091 53.050 0.162 0.000 0.892 67 N CB -0.002 38.584 38.487 0.164 0.000 1.049 67 N HN 0.179 nan 8.380 nan 0.000 0.442 68 I N 2.512 123.140 120.570 0.097 0.000 2.710 68 I HA -0.163 4.006 4.170 -0.001 0.000 0.286 68 I C 0.431 176.597 176.117 0.082 0.000 1.181 68 I CA 0.378 61.728 61.300 0.083 0.000 1.430 68 I CB 0.196 38.230 38.000 0.057 0.000 1.367 68 I HN 0.280 nan 8.210 nan 0.000 0.577 69 N N 3.920 122.668 118.700 0.081 0.000 2.721 69 N HA -0.263 4.477 4.740 -0.001 0.000 0.249 69 N C -0.079 175.469 175.510 0.064 0.000 1.072 69 N CA 1.328 54.417 53.050 0.066 0.000 0.710 69 N CB -0.758 37.760 38.487 0.051 0.000 0.993 69 N HN 0.746 nan 8.380 nan 0.000 0.547 70 S N -2.246 113.501 115.700 0.079 0.000 3.916 70 S HA 0.533 5.002 4.470 -0.001 0.000 0.231 70 S C 0.107 174.731 174.600 0.040 0.000 1.161 70 S CA 0.439 58.677 58.200 0.062 0.000 0.938 70 S CB -0.467 62.783 63.200 0.083 0.000 1.170 70 S HN 0.717 nan 8.310 nan 0.000 0.508 71 A N 3.336 126.206 122.820 0.082 0.000 2.462 71 A HA 0.622 4.941 4.320 -0.001 0.000 0.243 71 A C 0.301 177.809 177.584 -0.127 0.000 1.076 71 A CA -0.076 51.965 52.037 0.005 0.000 0.773 71 A CB -0.035 19.076 19.000 0.185 0.000 1.010 71 A HN 0.725 nan 8.150 nan 0.000 0.493 72 R N 0.409 120.680 120.500 -0.382 0.000 2.752 72 R HA 0.692 5.031 4.340 -0.001 0.000 0.271 72 R C 0.267 176.209 176.300 -0.597 0.000 1.026 72 R CA -0.342 55.489 56.100 -0.448 0.000 0.901 72 R CB 0.687 30.876 30.300 -0.185 0.000 1.243 72 R HN 2.075 nan 8.270 nan 0.000 0.463 73 G N 0.062 108.601 108.800 -0.436 0.000 2.148 73 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.203 73 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.203 73 G C 0.142 174.891 174.900 -0.252 0.000 0.993 73 G CA 0.157 45.077 45.100 -0.300 0.000 0.661 73 G HN 0.515 nan 8.290 nan 0.000 0.518 74 F N 0.834 120.786 119.950 0.004 0.000 2.186 74 F HA 0.069 4.595 4.527 -0.001 0.000 0.299 74 F C 2.506 178.307 175.800 0.002 0.000 1.090 74 F CA 1.536 59.540 58.000 0.006 0.000 1.307 74 F CB -0.020 38.985 39.000 0.009 0.000 1.019 74 F HN 0.216 nan 8.300 nan 0.000 0.489 75 E N 0.318 120.608 120.200 0.150 0.000 2.106 75 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 75 E C 2.323 178.950 176.600 0.045 0.000 0.984 75 E CA 0.887 57.337 56.400 0.084 0.000 0.806 75 E CB -0.686 29.048 29.700 0.056 0.000 0.750 75 E HN 0.149 nan 8.360 nan 0.000 0.458 76 V N 1.050 120.974 119.914 0.017 0.000 2.343 76 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 76 V C 2.037 178.136 176.094 0.007 0.000 1.051 76 V CA 1.155 63.453 62.300 -0.004 0.000 1.036 76 V CB -0.362 31.442 31.823 -0.032 0.000 0.654 76 V HN 0.280 nan 8.190 nan 0.000 0.451 77 I N 0.171 120.757 120.570 0.026 0.000 2.286 77 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 77 I C 2.289 178.430 176.117 0.041 0.000 1.115 77 I CA 1.553 62.877 61.300 0.040 0.000 1.392 77 I CB -1.225 36.825 38.000 0.084 0.000 1.065 77 I HN 0.353 nan 8.210 nan 0.000 0.418 78 D N 0.487 120.919 120.400 0.054 0.000 2.144 78 D HA -0.136 4.504 4.640 -0.001 0.000 0.199 78 D C 2.148 178.458 176.300 0.017 0.000 0.984 78 D CA 1.509 55.531 54.000 0.038 0.000 0.834 78 D CB -0.134 40.692 40.800 0.043 0.000 0.955 78 D HN 0.269 nan 8.370 nan 0.000 0.465 79 T N 1.074 115.636 114.554 0.013 0.000 2.777 79 T HA -0.052 4.297 4.350 -0.001 0.000 0.266 79 T C 2.247 176.943 174.700 -0.007 0.000 1.040 79 T CA 0.526 62.627 62.100 0.001 0.000 1.141 79 T CB -0.113 68.754 68.868 -0.001 0.000 0.868 79 T HN 0.155 nan 8.240 nan 0.000 0.444 80 I N 0.881 121.446 120.570 -0.009 0.000 2.179 80 I HA -0.169 4.000 4.170 -0.001 0.000 0.242 80 I C 2.591 178.695 176.117 -0.022 0.000 1.088 80 I CA 1.171 62.460 61.300 -0.019 0.000 1.357 80 I CB -0.326 37.661 38.000 -0.021 0.000 1.051 80 I HN 0.128 nan 8.210 nan 0.000 0.409 81 K N 1.837 122.229 120.400 -0.013 0.000 2.063 81 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 81 K C 2.021 178.608 176.600 -0.021 0.000 1.048 81 K CA 1.875 58.151 56.287 -0.017 0.000 0.928 81 K CB -0.470 32.029 32.500 -0.002 0.000 0.713 81 K HN 0.288 nan 8.250 nan 0.000 0.442 82 A N 0.421 123.233 122.820 -0.014 0.000 1.902 82 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 82 A C 2.381 179.951 177.584 -0.022 0.000 1.181 82 A CA 2.025 54.053 52.037 -0.015 0.000 0.623 82 A CB -1.038 17.957 19.000 -0.009 0.000 0.818 82 A HN 0.444 nan 8.150 nan 0.000 0.443 83 A N -0.648 122.158 122.820 -0.024 0.000 1.898 83 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 83 A C 2.208 179.769 177.584 -0.039 0.000 1.181 83 A CA 1.730 53.750 52.037 -0.029 0.000 0.620 83 A CB -0.825 18.158 19.000 -0.028 0.000 0.819 83 A HN 0.379 nan 8.150 nan 0.000 0.442 84 V N 0.198 120.083 119.914 -0.048 0.000 2.427 84 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 84 V C 2.483 178.537 176.094 -0.067 0.000 1.051 84 V CA 1.937 64.196 62.300 -0.068 0.000 1.048 84 V CB -0.645 31.125 31.823 -0.088 0.000 0.666 84 V HN 0.498 nan 8.190 nan 0.000 0.456 85 E N 0.290 120.459 120.200 -0.052 0.000 2.150 85 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 85 E C 2.053 178.632 176.600 -0.035 0.000 0.985 85 E CA 1.256 57.630 56.400 -0.044 0.000 0.814 85 E CB -0.423 29.258 29.700 -0.031 0.000 0.752 85 E HN 0.664 nan 8.360 nan 0.000 0.466 86 N N 0.758 119.440 118.700 -0.031 0.000 2.188 86 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 86 N C 1.558 177.052 175.510 -0.027 0.000 1.018 86 N CA 1.511 54.546 53.050 -0.025 0.000 0.858 86 N CB 0.006 38.480 38.487 -0.022 0.000 0.989 86 N HN 0.097 nan 8.380 nan 0.000 0.426 87 A N -0.618 122.181 122.820 -0.035 0.000 1.975 87 A HA 0.118 4.437 4.320 -0.001 0.000 0.215 87 A C 0.955 178.515 177.584 -0.040 0.000 1.170 87 A CA 0.947 52.963 52.037 -0.036 0.000 0.656 87 A CB -0.293 18.682 19.000 -0.041 0.000 0.821 87 A HN 0.591 nan 8.150 nan 0.000 0.449 88 C N -2.853 116.415 119.300 -0.052 0.000 3.452 88 C HA 0.556 5.016 4.460 -0.001 0.000 0.251 88 C C -3.215 171.742 174.990 -0.054 0.000 1.160 88 C CA -2.774 56.210 59.018 -0.056 0.000 1.328 88 C CB -0.349 27.339 27.740 -0.086 0.000 1.819 88 C HN 0.153 nan 8.230 nan 0.000 0.543 89 P HA 0.219 nan 4.420 nan 0.000 0.260 89 P C 1.327 178.612 177.300 -0.025 0.000 1.172 89 P CA 2.470 65.553 63.100 -0.028 0.000 0.760 89 P CB 0.243 31.932 31.700 -0.017 0.000 0.773 90 G N 1.980 110.765 108.800 -0.025 0.000 2.233 90 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.270 90 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.270 90 G C 0.802 175.695 174.900 -0.011 0.000 1.011 90 G CA 0.364 45.456 45.100 -0.014 0.000 0.762 90 G HN 0.426 nan 8.290 nan 0.000 0.511 91 V N -0.961 118.928 119.914 -0.043 0.000 2.521 91 V HA 0.151 4.270 4.120 -0.001 0.000 0.239 91 V C 1.587 177.619 176.094 -0.104 0.000 1.053 91 V CA 1.266 63.539 62.300 -0.045 0.000 1.073 91 V CB 0.455 32.228 31.823 -0.083 0.000 0.746 91 V HN 0.243 nan 8.190 nan 0.000 0.476 92 V N 2.003 121.761 119.914 -0.261 0.000 2.509 92 V HA 0.411 4.531 4.120 -0.001 0.000 0.284 92 V C 0.397 176.439 176.094 -0.086 0.000 1.047 92 V CA -0.483 61.602 62.300 -0.359 0.000 0.952 92 V CB 1.321 32.828 31.823 -0.525 0.000 0.988 92 V HN 0.535 nan 8.190 nan 0.000 0.469 93 S N 2.721 118.446 115.700 0.042 0.000 2.592 93 S HA 0.099 4.568 4.470 -0.001 0.000 0.271 93 S C 1.078 175.705 174.600 0.044 0.000 1.326 93 S CA -0.524 57.715 58.200 0.065 0.000 1.024 93 S CB 0.927 64.196 63.200 0.115 0.000 0.921 93 S HN 0.742 nan 8.310 nan 0.000 0.527 94 c N 1.444 120.070 118.600 0.045 0.000 2.435 94 c HA 0.079 4.649 4.570 -0.001 0.000 0.279 94 c C 3.089 177.221 174.090 0.071 0.000 1.321 94 c CA 0.732 57.090 56.329 0.047 0.000 1.752 94 c CB -2.067 40.473 42.510 0.051 0.000 1.959 94 c HN 1.014 nan 8.230 nan 0.000 0.500 95 A N 0.975 123.847 122.820 0.086 0.000 1.933 95 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 95 A C 1.782 179.435 177.584 0.116 0.000 1.175 95 A CA 2.173 54.278 52.037 0.114 0.000 0.628 95 A CB -0.500 18.566 19.000 0.110 0.000 0.814 95 A HN 0.513 nan 8.150 nan 0.000 0.444 96 D N -0.218 120.246 120.400 0.106 0.000 2.123 96 D HA -0.038 4.601 4.640 -0.001 0.000 0.200 96 D C 1.851 178.177 176.300 0.043 0.000 0.976 96 D CA 0.832 54.894 54.000 0.104 0.000 0.831 96 D CB -0.288 40.623 40.800 0.186 0.000 0.974 96 D HN 0.499 nan 8.370 nan 0.000 0.469 97 I N 0.325 120.911 120.570 0.026 0.000 2.226 97 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 97 I C 2.207 178.313 176.117 -0.018 0.000 1.100 97 I CA 0.484 61.779 61.300 -0.008 0.000 1.374 97 I CB -0.020 37.974 38.000 -0.011 0.000 1.057 97 I HN 0.014 nan 8.210 nan 0.000 0.413 98 L N 0.304 121.535 121.223 0.013 0.000 2.093 98 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 98 L C 2.517 179.305 176.870 -0.137 0.000 1.085 98 L CA 2.023 56.871 54.840 0.013 0.000 0.755 98 L CB -0.816 41.317 42.059 0.124 0.000 0.904 98 L HN 0.181 nan 8.230 nan 0.000 0.435 99 T N -0.559 113.878 114.554 -0.195 0.000 2.708 99 T HA -0.169 4.180 4.350 -0.001 0.000 0.266 99 T C 1.968 176.501 174.700 -0.279 0.000 1.037 99 T CA 1.657 63.480 62.100 -0.461 0.000 1.146 99 T CB -0.309 68.482 68.868 -0.128 0.000 0.865 99 T HN 0.238 nan 8.240 nan 0.000 0.435 100 L N 0.768 121.899 121.223 -0.153 0.000 2.046 100 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 100 L C 3.054 179.826 176.870 -0.163 0.000 1.077 100 L CA 1.222 55.970 54.840 -0.154 0.000 0.747 100 L CB -0.667 41.333 42.059 -0.098 0.000 0.896 100 L HN 0.247 nan 8.230 nan 0.000 0.432 101 A N -0.071 122.676 122.820 -0.121 0.000 1.933 101 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 101 A C 2.518 180.050 177.584 -0.087 0.000 1.175 101 A CA 1.701 53.682 52.037 -0.093 0.000 0.628 101 A CB -0.636 18.329 19.000 -0.058 0.000 0.814 101 A HN 0.414 nan 8.150 nan 0.000 0.444 102 A N -0.366 122.395 122.820 -0.097 0.000 1.877 102 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 102 A C 2.293 179.867 177.584 -0.016 0.000 1.186 102 A CA 1.669 53.703 52.037 -0.005 0.000 0.620 102 A CB -0.525 18.472 19.000 -0.005 0.000 0.822 102 A HN 0.411 nan 8.150 nan 0.000 0.443 103 R N 0.233 120.624 120.500 -0.182 0.000 2.073 103 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 103 R C 1.347 177.394 176.300 -0.422 0.000 1.134 103 R CA 2.169 57.944 56.100 -0.542 0.000 0.952 103 R CB -0.884 28.868 30.300 -0.914 0.000 0.850 103 R HN 0.467 nan 8.270 nan 0.000 0.433 104 D N -0.001 120.228 120.400 -0.285 0.000 2.149 104 D HA -0.086 4.554 4.640 -0.001 0.000 0.198 104 D C 1.930 178.159 176.300 -0.119 0.000 0.990 104 D CA 1.334 55.214 54.000 -0.200 0.000 0.839 104 D CB -0.179 40.533 40.800 -0.146 0.000 0.948 104 D HN 0.160 nan 8.370 nan 0.000 0.460 105 S N -0.236 115.427 115.700 -0.061 0.000 2.382 105 S HA -0.099 4.370 4.470 -0.001 0.000 0.228 105 S C 2.278 176.938 174.600 0.100 0.000 1.027 105 S CA 0.518 58.736 58.200 0.030 0.000 0.991 105 S CB -0.105 63.131 63.200 0.059 0.000 0.823 105 S HN 0.097 nan 8.310 nan 0.000 0.469 106 V N 1.267 121.187 119.914 0.011 0.000 2.270 106 V HA -0.119 4.000 4.120 -0.001 0.000 0.245 106 V C 2.327 178.259 176.094 -0.270 0.000 1.043 106 V CA 1.367 63.540 62.300 -0.211 0.000 1.014 106 V CB -0.755 30.842 31.823 -0.377 0.000 0.645 106 V HN 0.323 nan 8.190 nan 0.000 0.447 107 V N 0.024 119.793 119.914 -0.242 0.000 2.287 107 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 107 V C 2.226 178.261 176.094 -0.098 0.000 1.053 107 V CA 2.031 64.213 62.300 -0.196 0.000 1.027 107 V CB -0.578 31.120 31.823 -0.209 0.000 0.646 107 V HN 0.468 nan 8.190 nan 0.000 0.447 108 L N -0.219 120.967 121.223 -0.062 0.000 2.549 108 L HA -0.035 4.304 4.340 -0.001 0.000 0.229 108 L C 1.769 178.661 176.870 0.038 0.000 1.158 108 L CA 0.740 55.571 54.840 -0.014 0.000 0.842 108 L CB -0.329 41.721 42.059 -0.014 0.000 0.952 108 L HN 0.250 nan 8.230 nan 0.000 0.452 109 S N -0.552 115.189 115.700 0.068 0.000 2.568 109 S HA 0.287 4.756 4.470 -0.001 0.000 0.232 109 S C 1.361 176.039 174.600 0.130 0.000 0.975 109 S CA 0.521 58.817 58.200 0.160 0.000 0.949 109 S CB 0.804 64.222 63.200 0.364 0.000 0.829 109 S HN 0.601 nan 8.310 nan 0.000 0.479 110 G N 1.193 110.028 108.800 0.059 0.000 2.175 110 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.244 110 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.244 110 G C 0.389 175.326 174.900 0.061 0.000 0.982 110 G CA -0.223 44.927 45.100 0.083 0.000 0.641 110 G HN 0.780 nan 8.290 nan 0.000 0.527 111 G N 0.183 108.892 108.800 -0.153 0.000 2.543 111 G HA2 0.709 4.668 3.960 -0.001 0.000 0.290 111 G HA3 0.709 4.668 3.960 -0.001 0.000 0.290 111 G C -1.754 172.784 174.900 -0.603 0.000 1.310 111 G CA -0.442 44.298 45.100 -0.600 0.000 1.025 111 G HN 0.305 nan 8.290 nan 0.000 0.502 112 P HA 0.310 nan 4.420 nan 0.000 0.274 112 P C -0.021 177.226 177.300 -0.087 0.000 1.231 112 P CA 0.013 62.889 63.100 -0.374 0.000 0.790 112 P CB 1.559 33.017 31.700 -0.403 0.000 0.951 113 G N 0.783 109.591 108.800 0.014 0.000 2.489 113 G HA2 0.745 4.705 3.960 -0.001 0.000 0.327 113 G HA3 0.745 4.705 3.960 -0.001 0.000 0.327 113 G C -1.845 173.179 174.900 0.206 0.000 1.189 113 G CA -0.954 44.124 45.100 -0.036 0.000 0.962 113 G HN 0.723 nan 8.290 nan 0.000 0.486 114 W N -0.322 120.930 121.300 -0.080 0.000 3.248 114 W HA 0.709 5.369 4.660 -0.001 0.000 0.311 114 W C -0.931 175.561 176.519 -0.046 0.000 1.258 114 W CA -1.506 55.804 57.345 -0.057 0.000 1.191 114 W CB 1.251 30.674 29.460 -0.062 0.000 1.389 114 W HN 0.555 nan 8.180 nan 0.000 0.561 115 R N 1.994 122.569 120.500 0.125 0.000 2.296 115 R HA 0.473 4.812 4.340 -0.001 0.000 0.323 115 R C -1.041 175.317 176.300 0.097 0.000 1.067 115 R CA -0.460 55.657 56.100 0.029 0.000 0.946 115 R CB 0.371 30.698 30.300 0.044 0.000 0.991 115 R HN 0.515 nan 8.270 nan 0.000 0.448 116 V N 4.640 124.544 119.914 -0.016 0.000 2.555 116 V HA 0.380 4.499 4.120 -0.001 0.000 0.286 116 V C 0.481 176.611 176.094 0.059 0.000 1.044 116 V CA -0.271 62.063 62.300 0.057 0.000 1.026 116 V CB 1.082 32.878 31.823 -0.045 0.000 0.981 116 V HN 0.920 nan 8.190 nan 0.000 0.480 117 A N 6.633 129.505 122.820 0.087 0.000 2.331 117 A HA 0.778 5.098 4.320 -0.001 0.000 0.283 117 A C -0.486 177.120 177.584 0.037 0.000 1.142 117 A CA -0.382 51.682 52.037 0.046 0.000 0.812 117 A CB 0.283 19.311 19.000 0.046 0.000 1.074 117 A HN 0.781 nan 8.150 nan 0.000 0.497 118 L N 1.098 122.316 121.223 -0.008 0.000 2.286 118 L HA 0.817 5.156 4.340 -0.001 0.000 0.265 118 L C 1.131 177.934 176.870 -0.113 0.000 1.012 118 L CA 0.007 54.834 54.840 -0.022 0.000 0.818 118 L CB 1.925 43.984 42.059 -0.000 0.000 1.337 118 L HN 1.075 nan 8.230 nan 0.000 0.438 119 G N 0.040 108.780 108.800 -0.099 0.000 2.234 119 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.153 119 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.153 119 G C 0.076 174.975 174.900 -0.002 0.000 1.013 119 G CA -0.719 44.311 45.100 -0.115 0.000 0.712 119 G HN 0.448 nan 8.290 nan 0.000 0.491 120 R N 0.612 121.144 120.500 0.052 0.000 2.643 120 R HA 0.479 4.818 4.340 -0.001 0.000 0.270 120 R C 0.092 176.438 176.300 0.076 0.000 1.061 120 R CA 0.077 56.216 56.100 0.066 0.000 1.107 120 R CB 0.564 30.919 30.300 0.091 0.000 0.999 120 R HN -0.034 nan 8.270 nan 0.000 0.460 121 K N 1.558 121.993 120.400 0.058 0.000 2.118 121 K HA 0.240 4.559 4.320 -0.001 0.000 0.254 121 K C -0.638 175.994 176.600 0.053 0.000 0.961 121 K CA -0.693 55.627 56.287 0.055 0.000 0.876 121 K CB 1.242 33.764 32.500 0.037 0.000 1.077 121 K HN 0.480 nan 8.250 nan 0.000 0.440 122 D N 0.688 121.118 120.400 0.049 0.000 2.225 122 D HA 0.214 4.853 4.640 -0.001 0.000 0.248 122 D C 0.484 176.802 176.300 0.031 0.000 1.096 122 D CA -0.066 53.960 54.000 0.044 0.000 0.863 122 D CB 1.305 42.130 40.800 0.041 0.000 1.156 122 D HN 0.568 nan 8.370 nan 0.000 0.450 123 G N 0.747 109.564 108.800 0.028 0.000 2.636 123 G HA2 0.259 4.219 3.960 -0.001 0.000 0.246 123 G HA3 0.259 4.219 3.960 -0.001 0.000 0.246 123 G C 0.884 175.792 174.900 0.013 0.000 1.216 123 G CA -0.418 44.692 45.100 0.018 0.000 0.854 123 G HN 0.503 nan 8.290 nan 0.000 0.572 124 L N -0.181 121.047 121.223 0.008 0.000 2.640 124 L HA 0.265 4.604 4.340 -0.001 0.000 0.230 124 L C 0.279 177.149 176.870 -0.000 0.000 1.123 124 L CA -0.058 54.784 54.840 0.004 0.000 0.900 124 L CB -0.115 41.946 42.059 0.003 0.000 1.146 124 L HN 0.408 nan 8.230 nan 0.000 0.484 125 V N -4.262 115.651 119.914 -0.001 0.000 3.178 125 V HA 0.862 4.981 4.120 -0.001 0.000 0.302 125 V C -0.581 175.509 176.094 -0.007 0.000 1.262 125 V CA -0.970 61.327 62.300 -0.005 0.000 1.030 125 V CB 1.566 33.385 31.823 -0.006 0.000 1.074 125 V HN -0.068 nan 8.190 nan 0.000 0.438 126 A N 1.773 124.586 122.820 -0.011 0.000 2.293 126 A HA 0.791 5.110 4.320 -0.001 0.000 0.302 126 A C 0.011 177.587 177.584 -0.013 0.000 1.119 126 A CA -0.418 51.611 52.037 -0.014 0.000 0.823 126 A CB 0.780 19.767 19.000 -0.021 0.000 1.097 126 A HN 1.091 nan 8.150 nan 0.000 0.491 127 N N 0.860 119.552 118.700 -0.014 0.000 2.841 127 N HA 0.100 4.839 4.740 -0.001 0.000 0.257 127 N C 0.529 176.027 175.510 -0.018 0.000 1.396 127 N CA -0.180 52.861 53.050 -0.015 0.000 0.823 127 N CB 0.970 39.448 38.487 -0.016 0.000 1.162 127 N HN 0.796 nan 8.380 nan 0.000 0.503 128 Q N 1.128 120.918 119.800 -0.017 0.000 2.135 128 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 128 Q C 1.412 177.403 176.000 -0.015 0.000 0.981 128 Q CA 1.302 57.095 55.803 -0.017 0.000 0.856 128 Q CB 0.079 28.809 28.738 -0.013 0.000 0.902 128 Q HN 0.585 nan 8.270 nan 0.000 0.425 129 N N -0.444 118.249 118.700 -0.011 0.000 2.104 129 N HA -0.175 4.564 4.740 -0.001 0.000 0.190 129 N C 1.825 177.329 175.510 -0.010 0.000 1.024 129 N CA 1.579 54.625 53.050 -0.007 0.000 0.853 129 N CB -0.135 38.350 38.487 -0.004 0.000 1.008 129 N HN 0.134 nan 8.380 nan 0.000 0.424 130 S N -0.025 115.666 115.700 -0.015 0.000 2.383 130 S HA 0.031 4.500 4.470 -0.001 0.000 0.227 130 S C 2.022 176.601 174.600 -0.035 0.000 1.026 130 S CA 1.062 59.251 58.200 -0.019 0.000 0.981 130 S CB -0.329 62.857 63.200 -0.023 0.000 0.818 130 S HN 0.494 nan 8.310 nan 0.000 0.472 131 A N 1.963 124.753 122.820 -0.050 0.000 1.972 131 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 131 A C 1.892 179.425 177.584 -0.084 0.000 1.169 131 A CA 1.553 53.534 52.037 -0.093 0.000 0.635 131 A CB -0.720 18.231 19.000 -0.082 0.000 0.810 131 A HN 0.604 nan 8.150 nan 0.000 0.446 132 N N 0.096 118.773 118.700 -0.037 0.000 2.453 132 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 132 N C 1.112 176.621 175.510 -0.001 0.000 1.041 132 N CA 1.177 54.219 53.050 -0.013 0.000 0.900 132 N CB -0.435 38.056 38.487 0.005 0.000 0.961 132 N HN 0.633 nan 8.380 nan 0.000 0.443 133 N N 0.253 118.950 118.700 -0.005 0.000 2.322 133 N HA 0.117 4.856 4.740 -0.001 0.000 0.194 133 N C -0.165 175.366 175.510 0.034 0.000 1.126 133 N CA -0.104 52.961 53.050 0.024 0.000 0.845 133 N CB 0.179 38.683 38.487 0.029 0.000 0.976 133 N HN 0.088 nan 8.380 nan 0.000 0.475 134 L N 1.006 122.211 121.223 -0.029 0.000 2.482 134 L HA 0.200 4.539 4.340 -0.001 0.000 0.273 134 L C -1.716 175.188 176.870 0.055 0.000 1.228 134 L CA -1.542 53.262 54.840 -0.060 0.000 0.827 134 L CB 0.026 41.887 42.059 -0.329 0.000 1.099 134 L HN 0.082 nan 8.230 nan 0.000 0.494 135 P HA -0.029 nan 4.420 nan 0.000 0.265 135 P C -0.925 176.477 177.300 0.170 0.000 1.187 135 P CA 0.206 63.442 63.100 0.227 0.000 0.766 135 P CB 0.724 32.641 31.700 0.361 0.000 0.820 136 S N 3.402 119.188 115.700 0.143 0.000 2.501 136 S HA 0.474 4.943 4.470 -0.001 0.000 0.301 136 S C -1.643 172.970 174.600 0.022 0.000 1.096 136 S CA -2.082 56.162 58.200 0.074 0.000 1.063 136 S CB 0.784 64.055 63.200 0.117 0.000 1.042 136 S HN 0.268 nan 8.310 nan 0.000 0.494 137 P HA 0.018 nan 4.420 nan 0.000 0.226 137 P C 0.729 177.967 177.300 -0.105 0.000 1.153 137 P CA 0.976 63.962 63.100 -0.189 0.000 0.777 137 P CB -0.095 31.376 31.700 -0.383 0.000 0.794 138 F N 0.738 120.781 119.950 0.154 0.000 2.746 138 F HA 0.111 4.637 4.527 -0.002 0.000 0.297 138 F C 1.494 177.369 175.800 0.124 0.000 1.113 138 F CA -0.649 57.439 58.000 0.145 0.000 1.367 138 F CB -0.034 39.036 39.000 0.118 0.000 1.111 138 F HN -0.056 nan 8.300 nan 0.000 0.590 139 E N 1.882 122.239 120.200 0.262 0.000 2.318 139 E HA 0.308 4.657 4.350 -0.001 0.000 0.265 139 E C -2.582 174.115 176.600 0.161 0.000 1.069 139 E CA -2.252 54.264 56.400 0.193 0.000 0.893 139 E CB -0.035 29.764 29.700 0.165 0.000 1.076 139 E HN -0.094 nan 8.360 nan 0.000 0.414 140 P HA -0.077 nan 4.420 nan 0.000 0.270 140 P C 0.408 177.768 177.300 0.099 0.000 1.223 140 P CA -0.404 62.760 63.100 0.106 0.000 0.785 140 P CB 0.419 32.170 31.700 0.083 0.000 0.923 141 L N 2.724 123.996 121.223 0.082 0.000 2.042 141 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 141 L C 1.713 178.618 176.870 0.059 0.000 1.076 141 L CA 2.068 56.947 54.840 0.065 0.000 0.749 141 L CB -1.292 40.794 42.059 0.046 0.000 0.893 141 L HN 0.460 nan 8.230 nan 0.000 0.432 142 D N -0.514 119.920 120.400 0.057 0.000 2.149 142 D HA -0.228 4.411 4.640 -0.001 0.000 0.198 142 D C 1.870 178.217 176.300 0.078 0.000 0.990 142 D CA 1.361 55.395 54.000 0.057 0.000 0.839 142 D CB -0.349 40.480 40.800 0.048 0.000 0.948 142 D HN 0.467 nan 8.370 nan 0.000 0.460 143 A N 1.010 123.885 122.820 0.091 0.000 1.930 143 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 143 A C 2.523 180.198 177.584 0.152 0.000 1.175 143 A CA 0.740 52.844 52.037 0.113 0.000 0.627 143 A CB -0.648 18.419 19.000 0.112 0.000 0.815 143 A HN 0.247 nan 8.150 nan 0.000 0.443 144 I N -0.432 120.229 120.570 0.152 0.000 2.252 144 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 144 I C 2.239 178.492 176.117 0.226 0.000 1.102 144 I CA 1.111 62.535 61.300 0.206 0.000 1.385 144 I CB -0.279 37.804 38.000 0.138 0.000 1.064 144 I HN 0.286 nan 8.210 nan 0.000 0.414 145 I N 0.886 121.522 120.570 0.110 0.000 2.226 145 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 145 I C 2.797 179.026 176.117 0.186 0.000 1.100 145 I CA 1.325 62.679 61.300 0.090 0.000 1.374 145 I CB -0.441 37.582 38.000 0.038 0.000 1.057 145 I HN 0.179 nan 8.210 nan 0.000 0.413 146 A N 0.698 123.615 122.820 0.161 0.000 1.933 146 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 146 A C 2.288 179.988 177.584 0.193 0.000 1.175 146 A CA 1.600 53.725 52.037 0.148 0.000 0.628 146 A CB -0.422 18.645 19.000 0.111 0.000 0.814 146 A HN 0.338 nan 8.150 nan 0.000 0.444 147 K N -1.672 118.893 120.400 0.275 0.000 2.148 147 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 147 K C 1.484 178.291 176.600 0.345 0.000 1.050 147 K CA 1.225 57.694 56.287 0.304 0.000 0.942 147 K CB -0.239 32.485 32.500 0.372 0.000 0.724 147 K HN 0.483 nan 8.250 nan 0.000 0.446 148 F N 0.281 120.364 119.950 0.222 0.000 2.234 148 F HA -0.120 4.407 4.527 -0.001 0.000 0.296 148 F C 2.166 177.995 175.800 0.047 0.000 1.089 148 F CA 0.596 58.716 58.000 0.199 0.000 1.343 148 F CB -0.456 38.681 39.000 0.229 0.000 1.040 148 F HN -0.265 nan 8.300 nan 0.000 0.498 149 V N -0.113 119.945 119.914 0.240 0.000 2.407 149 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 149 V C 2.562 178.683 176.094 0.044 0.000 1.055 149 V CA 1.638 64.009 62.300 0.118 0.000 1.049 149 V CB -1.317 30.566 31.823 0.100 0.000 0.662 149 V HN 0.338 nan 8.190 nan 0.000 0.455 150 A N 0.403 123.244 122.820 0.035 0.000 2.024 150 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 150 A C 1.914 179.443 177.584 -0.092 0.000 1.164 150 A CA 1.971 53.998 52.037 -0.018 0.000 0.643 150 A CB -0.461 18.537 19.000 -0.004 0.000 0.806 150 A HN 0.809 nan 8.150 nan 0.000 0.451 151 V N -4.356 115.453 119.914 -0.175 0.000 3.099 151 V HA 0.268 4.388 4.120 -0.001 0.000 0.356 151 V C 0.082 176.068 176.094 -0.180 0.000 1.364 151 V CA -0.049 62.090 62.300 -0.268 0.000 1.229 151 V CB -1.193 30.273 31.823 -0.595 0.000 1.227 151 V HN 0.520 nan 8.190 nan 0.000 0.493 152 N N 0.243 118.893 118.700 -0.083 0.000 2.776 152 N HA -0.152 4.587 4.740 -0.001 0.000 0.250 152 N C -0.175 175.334 175.510 -0.001 0.000 1.112 152 N CA 0.986 54.016 53.050 -0.034 0.000 0.733 152 N CB -1.408 37.053 38.487 -0.043 0.000 1.097 152 N HN 0.588 nan 8.380 nan 0.000 0.558 153 L N 0.081 121.327 121.223 0.039 0.000 2.335 153 L HA 0.532 4.871 4.340 -0.001 0.000 0.268 153 L C 0.770 177.752 176.870 0.187 0.000 1.016 153 L CA -0.859 54.064 54.840 0.138 0.000 0.805 153 L CB 1.260 43.470 42.059 0.251 0.000 1.311 153 L HN 0.190 nan 8.230 nan 0.000 0.456 154 N N -1.315 117.501 118.700 0.193 0.000 3.102 154 N HA 0.381 5.120 4.740 -0.001 0.000 0.299 154 N C 0.447 176.005 175.510 0.080 0.000 1.482 154 N CA -0.867 52.260 53.050 0.129 0.000 0.785 154 N CB 0.620 39.153 38.487 0.077 0.000 1.680 154 N HN 0.471 nan 8.380 nan 0.000 0.594 155 I N -0.309 120.279 120.570 0.030 0.000 2.185 155 I HA -0.308 3.861 4.170 -0.001 0.000 0.246 155 I C 1.517 177.630 176.117 -0.007 0.000 1.088 155 I CA 1.789 63.078 61.300 -0.019 0.000 1.347 155 I CB -0.619 37.375 38.000 -0.010 0.000 1.041 155 I HN 0.625 nan 8.210 nan 0.000 0.415 156 T N 0.024 114.600 114.554 0.036 0.000 2.788 156 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 156 T C 1.497 176.270 174.700 0.122 0.000 1.044 156 T CA 1.482 63.629 62.100 0.079 0.000 1.139 156 T CB -0.301 68.618 68.868 0.084 0.000 0.867 156 T HN 0.369 nan 8.240 nan 0.000 0.454 157 D N 0.899 121.366 120.400 0.111 0.000 2.144 157 D HA -0.055 4.585 4.640 -0.001 0.000 0.199 157 D C 2.295 178.653 176.300 0.097 0.000 0.984 157 D CA 0.689 54.788 54.000 0.165 0.000 0.834 157 D CB -0.403 40.562 40.800 0.275 0.000 0.955 157 D HN 0.222 nan 8.370 nan 0.000 0.465 158 V N 1.233 121.030 119.914 -0.195 0.000 2.255 158 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 158 V C 2.743 178.739 176.094 -0.162 0.000 1.051 158 V CA 1.272 63.198 62.300 -0.622 0.000 1.018 158 V CB -0.552 30.871 31.823 -0.668 0.000 0.641 158 V HN 0.054 nan 8.190 nan 0.000 0.445 159 V N 0.155 120.093 119.914 0.040 0.000 2.307 159 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 159 V C 2.661 179.057 176.094 0.502 0.000 1.045 159 V CA 1.897 64.358 62.300 0.267 0.000 1.024 159 V CB -1.203 30.769 31.823 0.247 0.000 0.651 159 V HN 0.543 nan 8.190 nan 0.000 0.449 160 A N -0.029 123.080 122.820 0.481 0.000 1.873 160 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 160 A C 2.189 180.121 177.584 0.580 0.000 1.186 160 A CA 1.629 53.992 52.037 0.545 0.000 0.616 160 A CB -0.557 18.666 19.000 0.371 0.000 0.823 160 A HN 0.494 nan 8.150 nan 0.000 0.442 161 L N -0.297 121.121 121.223 0.326 0.000 2.275 161 L HA -0.089 4.250 4.340 -0.001 0.000 0.215 161 L C 2.512 179.414 176.870 0.053 0.000 1.119 161 L CA 0.981 55.967 54.840 0.244 0.000 0.790 161 L CB -0.293 41.839 42.059 0.122 0.000 0.919 161 L HN 0.279 nan 8.230 nan 0.000 0.443 162 S N 0.185 115.853 115.700 -0.053 0.000 2.474 162 S HA -0.082 4.387 4.470 -0.001 0.000 0.235 162 S C 1.992 176.116 174.600 -0.794 0.000 0.997 162 S CA 0.961 58.916 58.200 -0.409 0.000 0.949 162 S CB -0.268 62.835 63.200 -0.162 0.000 0.766 162 S HN 0.615 nan 8.310 nan 0.000 0.517 163 G N 1.021 109.598 108.800 -0.373 0.000 2.535 163 G HA2 0.007 3.966 3.960 -0.001 0.000 0.218 163 G HA3 0.007 3.966 3.960 -0.001 0.000 0.218 163 G C 1.315 175.840 174.900 -0.625 0.000 1.122 163 G CA 0.651 45.339 45.100 -0.688 0.000 0.769 163 G HN 0.547 nan 8.290 nan 0.000 0.549 164 A N 0.079 122.730 122.820 -0.280 0.000 2.172 164 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 164 A C 1.655 179.219 177.584 -0.032 0.000 1.154 164 A CA 0.746 52.757 52.037 -0.045 0.000 0.701 164 A CB -0.626 18.549 19.000 0.292 0.000 0.789 164 A HN 0.625 nan 8.150 nan 0.000 0.465 165 H N -1.381 117.408 119.070 -0.469 0.000 2.572 165 H HA 0.028 4.583 4.556 -0.001 0.000 0.278 165 H C 1.729 176.885 175.328 -0.287 0.000 1.050 165 H CA 0.430 56.275 56.048 -0.337 0.000 1.168 165 H CB 0.148 29.662 29.762 -0.414 0.000 1.316 165 H HN 0.445 nan 8.280 nan 0.000 0.610 166 T N 0.434 114.787 114.554 -0.334 0.000 3.118 166 T HA 0.011 4.360 4.350 -0.001 0.000 0.260 166 T C 0.266 174.926 174.700 -0.066 0.000 1.139 166 T CA 0.182 62.101 62.100 -0.302 0.000 1.085 166 T CB -0.087 68.394 68.868 -0.646 0.000 0.934 166 T HN 0.433 nan 8.240 nan 0.000 0.518 167 F N -2.267 117.626 119.950 -0.095 0.000 2.685 167 F HA 0.642 5.169 4.527 -0.001 0.000 0.315 167 F C 0.176 175.971 175.800 -0.008 0.000 1.126 167 F CA -0.856 57.132 58.000 -0.022 0.000 0.950 167 F CB 0.940 39.961 39.000 0.036 0.000 1.360 167 F HN 0.170 nan 8.300 nan 0.000 0.469 168 G N 1.523 110.362 108.800 0.065 0.000 2.655 168 G HA2 0.142 4.101 3.960 -0.001 0.000 0.680 168 G HA3 0.142 4.101 3.960 -0.001 0.000 0.680 168 G C -2.006 172.875 174.900 -0.032 0.000 1.302 168 G CA -0.838 44.219 45.100 -0.071 0.000 0.872 168 G HN 0.858 nan 8.290 nan 0.000 0.540 169 Q N -0.919 118.851 119.800 -0.050 0.000 2.445 169 Q HA 0.822 5.162 4.340 -0.001 0.000 0.281 169 Q C -0.118 175.868 176.000 -0.024 0.000 1.101 169 Q CA -0.301 55.486 55.803 -0.025 0.000 0.833 169 Q CB 2.239 30.972 28.738 -0.008 0.000 1.416 169 Q HN 1.992 nan 8.270 nan 0.000 0.451 170 A N 0.916 123.759 122.820 0.039 0.000 2.459 170 A HA 0.504 4.824 4.320 -0.001 0.000 0.296 170 A C -0.856 176.863 177.584 0.226 0.000 1.039 170 A CA -0.855 51.242 52.037 0.100 0.000 0.698 170 A CB 1.114 20.172 19.000 0.097 0.000 1.261 170 A HN 0.663 nan 8.150 nan 0.000 0.405 171 K N 0.578 121.056 120.400 0.130 0.000 2.202 171 K HA 0.354 4.673 4.320 -0.001 0.000 0.264 171 K C 0.708 177.232 176.600 -0.128 0.000 1.010 171 K CA -0.183 56.137 56.287 0.056 0.000 0.940 171 K CB 0.585 33.093 32.500 0.013 0.000 0.983 171 K HN 0.432 nan 8.250 nan 0.000 0.475 172 c N 1.515 119.944 118.600 -0.285 0.000 2.391 172 c HA -0.226 4.343 4.570 -0.001 0.000 0.276 172 c C 2.868 176.607 174.090 -0.585 0.000 1.217 172 c CA 1.604 57.499 56.329 -0.723 0.000 1.766 172 c CB -1.586 40.739 42.510 -0.308 0.000 2.046 172 c HN 1.007 nan 8.230 nan 0.000 0.475 173 A N 0.598 123.286 122.820 -0.220 0.000 2.032 173 A HA -0.128 4.191 4.320 -0.001 0.000 0.221 173 A C 2.026 179.654 177.584 0.074 0.000 1.165 173 A CA 2.285 54.292 52.037 -0.051 0.000 0.645 173 A CB -0.648 18.363 19.000 0.019 0.000 0.807 173 A HN 0.856 nan 8.150 nan 0.000 0.453 174 V N -4.019 115.904 119.914 0.014 0.000 3.633 174 V HA 0.363 4.482 4.120 -0.001 0.000 0.283 174 V C 1.058 177.300 176.094 0.247 0.000 1.305 174 V CA 0.922 63.288 62.300 0.110 0.000 1.153 174 V CB -1.164 30.639 31.823 -0.034 0.000 0.950 174 V HN 0.796 nan 8.190 nan 0.000 0.432 175 F N -0.729 119.344 119.950 0.204 0.000 2.995 175 F HA 0.375 4.901 4.527 -0.001 0.000 0.382 175 F C 1.743 177.635 175.800 0.153 0.000 1.019 175 F CA 0.315 58.418 58.000 0.172 0.000 1.078 175 F CB -0.697 38.336 39.000 0.056 0.000 1.192 175 F HN 0.018 nan 8.300 nan 0.000 0.553 176 S N 1.440 117.042 115.700 -0.162 0.000 2.469 176 S HA -0.236 4.234 4.470 -0.001 0.000 0.238 176 S C 1.631 176.349 174.600 0.196 0.000 0.998 176 S CA 1.208 59.420 58.200 0.020 0.000 0.957 176 S CB -1.137 62.047 63.200 -0.026 0.000 0.764 176 S HN 0.678 nan 8.310 nan 0.000 0.514 177 N N 2.232 121.070 118.700 0.228 0.000 2.453 177 N HA -0.151 4.588 4.740 -0.001 0.000 0.183 177 N C 1.425 177.153 175.510 0.364 0.000 1.041 177 N CA 0.782 53.998 53.050 0.276 0.000 0.900 177 N CB -0.530 38.090 38.487 0.222 0.000 0.961 177 N HN 0.545 nan 8.380 nan 0.000 0.443 178 R N 0.016 120.645 120.500 0.216 0.000 2.275 178 R HA 0.261 4.600 4.340 -0.001 0.000 0.199 178 R C 1.758 177.973 176.300 -0.141 0.000 0.989 178 R CA 0.184 56.218 56.100 -0.109 0.000 1.016 178 R CB 0.066 30.227 30.300 -0.232 0.000 0.918 178 R HN 0.253 nan 8.270 nan 0.000 0.473 179 L N -1.265 119.873 121.223 -0.141 0.000 2.416 179 L HA 0.155 4.494 4.340 -0.001 0.000 0.216 179 L C 1.038 177.414 176.870 -0.823 0.000 1.098 179 L CA 0.850 55.367 54.840 -0.537 0.000 0.840 179 L CB 0.069 41.644 42.059 -0.806 0.000 0.981 179 L HN 0.080 nan 8.230 nan 0.000 0.462 180 F N -1.816 118.182 119.950 0.080 0.000 2.421 180 F HA 0.233 4.759 4.527 -0.001 0.000 0.270 180 F C 0.817 176.665 175.800 0.080 0.000 0.894 180 F CA -0.425 57.615 58.000 0.066 0.000 1.128 180 F CB 0.307 39.338 39.000 0.050 0.000 1.011 180 F HN -0.114 nan 8.300 nan 0.000 0.788 181 N N -0.039 118.838 118.700 0.294 0.000 2.707 181 N HA 0.102 4.841 4.740 -0.001 0.000 0.249 181 N C -0.066 175.579 175.510 0.225 0.000 1.299 181 N CA -0.329 52.845 53.050 0.207 0.000 0.769 181 N CB 0.007 38.584 38.487 0.151 0.000 1.236 181 N HN 0.073 nan 8.380 nan 0.000 0.524 182 F N 1.871 121.856 119.950 0.057 0.000 2.234 182 F HA 0.014 4.540 4.527 -0.002 0.000 0.299 182 F C 1.887 177.706 175.800 0.030 0.000 1.087 182 F CA 1.992 60.019 58.000 0.044 0.000 1.340 182 F CB 0.216 39.240 39.000 0.040 0.000 1.031 182 F HN 0.457 nan 8.300 nan 0.000 0.500 183 T N -4.338 110.211 114.554 -0.009 0.000 3.058 183 T HA 0.466 4.815 4.350 -0.001 0.000 0.278 183 T C 1.360 176.028 174.700 -0.054 0.000 0.974 183 T CA 0.367 62.389 62.100 -0.131 0.000 0.893 183 T CB 0.298 69.121 68.868 -0.074 0.000 1.138 183 T HN 0.485 nan 8.240 nan 0.000 0.529 184 G N 0.980 109.778 108.800 -0.002 0.000 2.195 184 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.224 184 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.224 184 G C 1.047 175.960 174.900 0.022 0.000 0.990 184 G CA -0.030 45.072 45.100 0.004 0.000 0.639 184 G HN 1.140 nan 8.290 nan 0.000 0.514 185 A N 0.354 123.196 122.820 0.036 0.000 2.238 185 A HA 0.552 4.871 4.320 -0.001 0.000 0.208 185 A C 2.513 180.129 177.584 0.053 0.000 1.177 185 A CA 1.917 53.979 52.037 0.041 0.000 0.804 185 A CB -0.557 18.471 19.000 0.046 0.000 0.823 185 A HN 2.450 nan 8.150 nan 0.000 0.482 186 G N -0.845 107.996 108.800 0.068 0.000 2.136 186 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 186 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 186 G C -0.193 174.763 174.900 0.094 0.000 0.989 186 G CA 0.285 45.433 45.100 0.080 0.000 0.682 186 G HN 0.679 nan 8.290 nan 0.000 0.522 187 N N 0.332 119.093 118.700 0.102 0.000 2.328 187 N HA 0.655 5.394 4.740 -0.001 0.000 0.299 187 N C -2.905 172.670 175.510 0.108 0.000 1.179 187 N CA -1.937 51.168 53.050 0.091 0.000 0.793 187 N CB 2.348 40.879 38.487 0.074 0.000 1.366 187 N HN 0.010 nan 8.380 nan 0.000 0.493 188 P HA 0.016 nan 4.420 nan 0.000 0.275 188 P C -0.903 176.379 177.300 -0.029 0.000 1.266 188 P CA -0.235 62.851 63.100 -0.023 0.000 0.793 188 P CB 0.407 32.040 31.700 -0.111 0.000 1.074 189 D N 0.455 120.715 120.400 -0.232 0.000 2.451 189 D HA -0.003 4.636 4.640 -0.001 0.000 0.254 189 D C 1.071 177.270 176.300 -0.169 0.000 1.204 189 D CA 0.256 54.002 54.000 -0.423 0.000 0.896 189 D CB 0.536 40.752 40.800 -0.974 0.000 1.136 189 D HN 0.296 nan 8.370 nan 0.000 0.499 190 A N 3.255 126.053 122.820 -0.036 0.000 2.076 190 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 190 A C 1.939 179.502 177.584 -0.034 0.000 1.160 190 A CA 1.929 53.957 52.037 -0.014 0.000 0.653 190 A CB -0.598 18.421 19.000 0.032 0.000 0.801 190 A HN 0.693 nan 8.150 nan 0.000 0.455 191 T N -2.991 111.530 114.554 -0.056 0.000 3.129 191 T HA 0.290 4.639 4.350 -0.001 0.000 0.251 191 T C 0.381 175.035 174.700 -0.076 0.000 1.117 191 T CA 0.050 62.125 62.100 -0.041 0.000 1.034 191 T CB -0.361 68.498 68.868 -0.015 0.000 0.968 191 T HN 0.164 nan 8.240 nan 0.000 0.526 192 L N 2.931 124.083 121.223 -0.118 0.000 2.278 192 L HA 0.389 4.728 4.340 -0.001 0.000 0.287 192 L C 0.242 177.049 176.870 -0.105 0.000 1.072 192 L CA -0.707 54.054 54.840 -0.132 0.000 0.819 192 L CB 0.636 42.592 42.059 -0.172 0.000 1.176 192 L HN 0.122 nan 8.230 nan 0.000 0.435 193 E N 2.604 122.743 120.200 -0.102 0.000 2.529 193 E HA -0.098 4.252 4.350 -0.001 0.000 0.259 193 E C 0.788 177.339 176.600 -0.083 0.000 0.966 193 E CA 0.740 57.088 56.400 -0.086 0.000 0.937 193 E CB 1.119 30.762 29.700 -0.095 0.000 0.923 193 E HN 0.866 nan 8.360 nan 0.000 0.468 194 T N 0.765 115.280 114.554 -0.066 0.000 2.737 194 T HA -0.250 4.099 4.350 -0.001 0.000 0.269 194 T C 1.823 176.488 174.700 -0.058 0.000 1.040 194 T CA 1.873 63.937 62.100 -0.059 0.000 1.142 194 T CB -0.315 68.527 68.868 -0.043 0.000 0.861 194 T HN 0.417 nan 8.240 nan 0.000 0.456 195 S N 1.770 117.436 115.700 -0.056 0.000 2.383 195 S HA 0.010 4.479 4.470 -0.001 0.000 0.227 195 S C 2.010 176.574 174.600 -0.060 0.000 1.026 195 S CA 0.872 59.041 58.200 -0.051 0.000 0.981 195 S CB -0.782 62.390 63.200 -0.048 0.000 0.818 195 S HN 0.366 nan 8.310 nan 0.000 0.472 196 L N 1.279 122.454 121.223 -0.079 0.000 2.056 196 L HA 0.179 4.518 4.340 -0.001 0.000 0.207 196 L C 2.265 179.079 176.870 -0.094 0.000 1.078 196 L CA 1.500 56.284 54.840 -0.095 0.000 0.749 196 L CB -1.092 40.892 42.059 -0.124 0.000 0.901 196 L HN 0.409 nan 8.230 nan 0.000 0.433 197 L N -0.847 120.316 121.223 -0.100 0.000 2.013 197 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 197 L C 2.671 179.488 176.870 -0.088 0.000 1.073 197 L CA 2.325 57.098 54.840 -0.111 0.000 0.753 197 L CB -1.246 40.744 42.059 -0.116 0.000 0.890 197 L HN 0.469 nan 8.230 nan 0.000 0.432 198 S N -0.559 115.104 115.700 -0.061 0.000 2.356 198 S HA -0.226 4.243 4.470 -0.001 0.000 0.223 198 S C 1.810 176.401 174.600 -0.013 0.000 1.032 198 S CA 1.850 60.031 58.200 -0.032 0.000 1.005 198 S CB -0.613 62.573 63.200 -0.022 0.000 0.867 198 S HN 0.752 nan 8.310 nan 0.000 0.449 199 N N 0.707 119.395 118.700 -0.021 0.000 2.120 199 N HA -0.019 4.720 4.740 -0.001 0.000 0.188 199 N C 1.829 177.351 175.510 0.019 0.000 1.024 199 N CA 1.417 54.464 53.050 -0.005 0.000 0.852 199 N CB -0.276 38.198 38.487 -0.022 0.000 1.003 199 N HN 0.367 nan 8.380 nan 0.000 0.424 200 L N 1.247 122.475 121.223 0.008 0.000 2.093 200 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 200 L C 2.279 179.217 176.870 0.114 0.000 1.085 200 L CA 1.102 55.990 54.840 0.082 0.000 0.755 200 L CB -0.393 41.703 42.059 0.062 0.000 0.904 200 L HN 0.213 nan 8.230 nan 0.000 0.435 201 Q N -0.728 119.094 119.800 0.037 0.000 2.226 201 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 201 Q C 2.105 178.212 176.000 0.179 0.000 0.975 201 Q CA 1.762 57.624 55.803 0.097 0.000 0.866 201 Q CB -0.124 28.627 28.738 0.023 0.000 0.915 201 Q HN 0.466 nan 8.270 nan 0.000 0.440 202 T N 0.082 114.702 114.554 0.110 0.000 2.857 202 T HA -0.061 4.289 4.350 -0.001 0.000 0.266 202 T C 1.965 176.724 174.700 0.098 0.000 1.048 202 T CA 0.930 63.086 62.100 0.095 0.000 1.139 202 T CB 0.009 68.913 68.868 0.060 0.000 0.874 202 T HN 0.047 nan 8.240 nan 0.000 0.455 203 V N 0.711 120.690 119.914 0.109 0.000 2.548 203 V HA -0.057 4.062 4.120 -0.001 0.000 0.249 203 V C 1.319 177.485 176.094 0.120 0.000 1.055 203 V CA 0.846 63.214 62.300 0.113 0.000 1.065 203 V CB -0.366 31.543 31.823 0.144 0.000 0.681 203 V HN 0.496 nan 8.190 nan 0.000 0.462 204 c N 1.977 120.672 118.600 0.159 0.000 3.094 204 c HA 0.377 4.946 4.570 -0.001 0.000 0.262 204 c C -2.033 172.188 174.090 0.218 0.000 1.459 204 c CA -1.544 54.871 56.329 0.144 0.000 1.570 204 c CB -0.863 41.712 42.510 0.109 0.000 2.056 204 c HN 0.390 nan 8.230 nan 0.000 0.499 205 P HA 0.109 nan 4.420 nan 0.000 0.271 205 P C -0.199 177.061 177.300 -0.066 0.000 1.218 205 P CA 0.265 63.416 63.100 0.086 0.000 0.780 205 P CB 1.006 32.733 31.700 0.045 0.000 0.901 206 L N 1.880 122.915 121.223 -0.312 0.000 2.540 206 L HA 0.081 4.420 4.340 -0.001 0.000 0.276 206 L C 1.852 178.620 176.870 -0.171 0.000 1.212 206 L CA 1.257 55.883 54.840 -0.356 0.000 0.893 206 L CB -0.849 40.881 42.059 -0.547 0.000 1.138 206 L HN 0.872 nan 8.230 nan 0.000 0.491 207 G N 2.175 110.904 108.800 -0.119 0.000 2.184 207 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.264 207 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.264 207 G C 0.522 175.395 174.900 -0.046 0.000 0.975 207 G CA 0.023 45.080 45.100 -0.073 0.000 0.642 207 G HN 1.017 nan 8.290 nan 0.000 0.536 208 G N -0.424 108.352 108.800 -0.039 0.000 2.510 208 G HA2 0.435 4.395 3.960 -0.001 0.000 0.280 208 G HA3 0.435 4.395 3.960 -0.001 0.000 0.280 208 G C 0.123 175.016 174.900 -0.012 0.000 1.386 208 G CA 0.133 45.222 45.100 -0.018 0.000 1.047 208 G HN 0.516 nan 8.290 nan 0.000 0.527 209 N N -0.046 118.651 118.700 -0.004 0.000 2.406 209 N HA 0.016 4.755 4.740 -0.001 0.000 0.265 209 N C 1.552 177.058 175.510 -0.008 0.000 1.203 209 N CA 0.371 53.419 53.050 -0.003 0.000 0.945 209 N CB 0.907 39.396 38.487 0.004 0.000 1.165 209 N HN 0.332 nan 8.380 nan 0.000 0.485 210 S N 2.510 118.201 115.700 -0.015 0.000 2.603 210 S HA 0.039 4.509 4.470 -0.001 0.000 0.229 210 S C 0.778 175.360 174.600 -0.030 0.000 0.972 210 S CA 0.121 58.302 58.200 -0.032 0.000 0.935 210 S CB -0.052 63.132 63.200 -0.028 0.000 0.769 210 S HN 0.498 nan 8.310 nan 0.000 0.536 211 N N 1.060 119.755 118.700 -0.009 0.000 2.280 211 N HA 0.245 4.985 4.740 -0.001 0.000 0.192 211 N C -0.099 175.417 175.510 0.010 0.000 1.109 211 N CA -0.003 53.048 53.050 0.002 0.000 0.855 211 N CB 0.091 38.584 38.487 0.010 0.000 0.974 211 N HN 0.385 nan 8.380 nan 0.000 0.482 212 I N 1.837 122.413 120.570 0.010 0.000 2.696 212 I HA -0.005 4.164 4.170 -0.001 0.000 0.284 212 I C 1.320 177.466 176.117 0.049 0.000 1.129 212 I CA 0.322 61.639 61.300 0.028 0.000 1.410 212 I CB 0.542 38.562 38.000 0.033 0.000 1.399 212 I HN 0.022 nan 8.210 nan 0.000 0.579 213 T N 2.340 116.935 114.554 0.068 0.000 2.949 213 T HA 0.885 5.234 4.350 -0.001 0.000 0.287 213 T C -0.469 174.312 174.700 0.135 0.000 1.034 213 T CA -0.796 61.370 62.100 0.111 0.000 1.018 213 T CB 2.276 71.186 68.868 0.069 0.000 1.135 213 T HN 0.760 nan 8.240 nan 0.000 0.532 214 A N 1.278 124.199 122.820 0.168 0.000 2.454 214 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 214 A C -3.103 174.487 177.584 0.009 0.000 1.079 214 A CA -2.202 49.888 52.037 0.088 0.000 0.731 214 A CB 1.071 20.125 19.000 0.091 0.000 1.299 214 A HN 0.666 nan 8.150 nan 0.000 0.413 215 P HA 0.255 nan 4.420 nan 0.000 0.271 215 P C 0.635 177.889 177.300 -0.076 0.000 1.216 215 P CA -0.161 62.919 63.100 -0.035 0.000 0.771 215 P CB 0.556 32.242 31.700 -0.025 0.000 0.864 216 L N 0.935 122.121 121.223 -0.061 0.000 2.141 216 L HA -0.064 4.275 4.340 -0.001 0.000 0.209 216 L C 1.008 177.858 176.870 -0.034 0.000 1.094 216 L CA 1.458 56.249 54.840 -0.081 0.000 0.763 216 L CB -0.225 41.782 42.059 -0.086 0.000 0.908 216 L HN 0.410 nan 8.230 nan 0.000 0.437 217 D N -0.605 119.791 120.400 -0.008 0.000 2.441 217 D HA 0.127 4.766 4.640 -0.001 0.000 0.231 217 D C 0.984 177.260 176.300 -0.040 0.000 1.073 217 D CA -0.580 53.412 54.000 -0.015 0.000 0.850 217 D CB 1.155 41.959 40.800 0.007 0.000 1.062 217 D HN 0.059 nan 8.370 nan 0.000 0.524 218 R N 1.927 122.383 120.500 -0.073 0.000 2.237 218 R HA -0.012 4.327 4.340 -0.001 0.000 0.219 218 R C 1.460 177.728 176.300 -0.054 0.000 1.080 218 R CA 1.056 57.114 56.100 -0.071 0.000 0.995 218 R CB -0.259 29.984 30.300 -0.096 0.000 0.875 218 R HN 0.204 nan 8.270 nan 0.000 0.462 219 S N 0.136 115.804 115.700 -0.053 0.000 2.355 219 S HA -0.003 4.466 4.470 -0.001 0.000 0.216 219 S C 0.608 175.196 174.600 -0.020 0.000 1.037 219 S CA 0.792 58.967 58.200 -0.042 0.000 0.955 219 S CB -0.036 63.132 63.200 -0.052 0.000 0.877 219 S HN 0.576 nan 8.310 nan 0.000 0.488 220 T N 0.108 114.656 114.554 -0.012 0.000 3.150 220 T HA 0.426 4.775 4.350 -0.001 0.000 0.383 220 T C 0.556 175.275 174.700 0.032 0.000 1.313 220 T CA -0.486 61.621 62.100 0.012 0.000 1.235 220 T CB 0.845 69.724 68.868 0.018 0.000 1.088 220 T HN 0.089 nan 8.240 nan 0.000 0.556 221 T N 1.772 116.347 114.554 0.035 0.000 2.699 221 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 221 T C 1.097 175.865 174.700 0.114 0.000 1.036 221 T CA 1.647 63.780 62.100 0.054 0.000 1.147 221 T CB -0.155 68.732 68.868 0.032 0.000 0.862 221 T HN 0.619 nan 8.240 nan 0.000 0.446 222 D N 0.144 120.617 120.400 0.121 0.000 2.407 222 D HA 0.106 4.746 4.640 -0.001 0.000 0.208 222 D C 0.283 176.731 176.300 0.247 0.000 1.083 222 D CA 0.228 54.342 54.000 0.189 0.000 0.844 222 D CB 0.299 41.170 40.800 0.118 0.000 0.967 222 D HN 0.276 nan 8.370 nan 0.000 0.506 223 T N 1.193 115.842 114.554 0.159 0.000 2.780 223 T HA 0.198 4.547 4.350 -0.001 0.000 0.294 223 T C -0.200 174.550 174.700 0.084 0.000 0.949 223 T CA -0.449 61.736 62.100 0.142 0.000 1.074 223 T CB 0.875 69.803 68.868 0.100 0.000 0.910 223 T HN -0.084 nan 8.240 nan 0.000 0.501 224 F N 5.889 125.797 119.950 -0.069 0.000 2.434 224 F HA 0.326 4.852 4.527 -0.001 0.000 0.358 224 F C 0.206 176.038 175.800 0.054 0.000 1.136 224 F CA -0.238 57.611 58.000 -0.251 0.000 1.157 224 F CB -0.115 38.611 39.000 -0.456 0.000 1.167 224 F HN 0.662 nan 8.300 nan 0.000 0.539 225 D N 2.429 122.802 120.400 -0.045 0.000 2.759 225 D HA 0.130 4.769 4.640 -0.001 0.000 0.321 225 D C -0.256 176.141 176.300 0.161 0.000 1.267 225 D CA -0.811 53.329 54.000 0.235 0.000 0.933 225 D CB 0.180 41.058 40.800 0.130 0.000 1.431 225 D HN 0.253 nan 8.370 nan 0.000 0.504 226 N N -0.244 118.562 118.700 0.176 0.000 2.449 226 N HA -0.038 4.701 4.740 -0.001 0.000 0.191 226 N C -0.049 175.492 175.510 0.052 0.000 1.161 226 N CA 0.016 53.130 53.050 0.107 0.000 0.863 226 N CB -0.567 37.987 38.487 0.112 0.000 0.980 226 N HN 0.259 nan 8.380 nan 0.000 0.458 227 N N 0.439 119.131 118.700 -0.013 0.000 2.348 227 N HA -0.171 4.568 4.740 -0.001 0.000 0.185 227 N C 1.154 176.597 175.510 -0.112 0.000 1.019 227 N CA 0.698 53.717 53.050 -0.052 0.000 0.880 227 N CB -0.520 37.938 38.487 -0.048 0.000 0.965 227 N HN 0.485 nan 8.380 nan 0.000 0.437 228 Y N 0.231 120.332 120.300 -0.331 0.000 2.165 228 Y HA -0.240 4.309 4.550 -0.001 0.000 0.286 228 Y C 1.493 177.075 175.900 -0.530 0.000 1.155 228 Y CA 1.615 59.416 58.100 -0.498 0.000 1.164 228 Y CB -0.405 37.594 38.460 -0.768 0.000 0.978 228 Y HN -0.013 nan 8.280 nan 0.000 0.513 229 F N 0.516 120.294 119.950 -0.287 0.000 2.206 229 F HA -0.068 4.458 4.527 -0.001 0.000 0.298 229 F C 2.233 177.838 175.800 -0.326 0.000 1.090 229 F CA 1.387 59.188 58.000 -0.330 0.000 1.323 229 F CB -0.416 38.494 39.000 -0.151 0.000 1.028 229 F HN -0.112 nan 8.300 nan 0.000 0.492 230 K N 0.500 120.845 120.400 -0.091 0.000 2.097 230 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 230 K C 1.606 178.063 176.600 -0.238 0.000 1.049 230 K CA 1.680 57.883 56.287 -0.141 0.000 0.933 230 K CB -0.516 31.927 32.500 -0.095 0.000 0.717 230 K HN 0.408 nan 8.250 nan 0.000 0.442 231 N N 0.917 119.447 118.700 -0.283 0.000 2.069 231 N HA -0.145 4.595 4.740 -0.001 0.000 0.191 231 N C 1.802 177.086 175.510 -0.377 0.000 1.031 231 N CA 0.918 53.784 53.050 -0.307 0.000 0.852 231 N CB -0.165 38.123 38.487 -0.332 0.000 1.018 231 N HN 0.067 nan 8.380 nan 0.000 0.423 232 L N 1.042 121.978 121.223 -0.479 0.000 2.079 232 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 232 L C 2.075 178.474 176.870 -0.785 0.000 1.081 232 L CA 0.904 55.438 54.840 -0.509 0.000 0.752 232 L CB -0.665 41.127 42.059 -0.444 0.000 0.896 232 L HN 0.254 nan 8.230 nan 0.000 0.433 233 L N -0.454 120.265 121.223 -0.839 0.000 2.265 233 L HA -0.149 4.190 4.340 -0.001 0.000 0.215 233 L C 1.979 178.484 176.870 -0.608 0.000 1.117 233 L CA 0.888 55.085 54.840 -1.072 0.000 0.782 233 L CB -0.419 41.317 42.059 -0.538 0.000 0.914 233 L HN 0.315 nan 8.230 nan 0.000 0.441 234 E N 0.011 119.971 120.200 -0.399 0.000 2.476 234 E HA 0.129 4.478 4.350 -0.001 0.000 0.196 234 E C 1.229 177.714 176.600 -0.191 0.000 1.029 234 E CA 0.575 56.836 56.400 -0.233 0.000 0.896 234 E CB 0.673 30.264 29.700 -0.182 0.000 1.012 234 E HN 0.402 nan 8.360 nan 0.000 0.475 235 G N 2.400 111.062 108.800 -0.229 0.000 2.198 235 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 235 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 235 G C 0.515 175.316 174.900 -0.165 0.000 1.042 235 G CA 0.548 45.559 45.100 -0.149 0.000 0.791 235 G HN 0.239 nan 8.290 nan 0.000 0.502 236 K N 0.163 120.437 120.400 -0.209 0.000 2.593 236 K HA 0.391 4.710 4.320 -0.001 0.000 0.208 236 K C 1.349 177.809 176.600 -0.233 0.000 1.051 236 K CA 0.165 56.330 56.287 -0.202 0.000 1.111 236 K CB 0.856 33.242 32.500 -0.189 0.000 0.849 236 K HN 0.396 nan 8.250 nan 0.000 0.479 237 G N 0.629 109.285 108.800 -0.240 0.000 2.415 237 G HA2 0.140 4.099 3.960 -0.001 0.000 0.269 237 G HA3 0.140 4.099 3.960 -0.001 0.000 0.269 237 G C 0.518 175.295 174.900 -0.204 0.000 1.209 237 G CA -0.508 44.445 45.100 -0.244 0.000 0.835 237 G HN 0.138 nan 8.290 nan 0.000 0.534 238 L N 2.316 123.416 121.223 -0.206 0.000 2.049 238 L HA 0.303 4.643 4.340 -0.001 0.000 0.203 238 L C 1.345 178.075 176.870 -0.233 0.000 1.074 238 L CA 1.177 55.825 54.840 -0.320 0.000 0.749 238 L CB -0.516 41.304 42.059 -0.399 0.000 0.907 238 L HN 0.445 nan 8.230 nan 0.000 0.439 239 L N -0.965 120.205 121.223 -0.089 0.000 2.399 239 L HA 0.197 4.536 4.340 -0.001 0.000 0.266 239 L C 1.750 178.651 176.870 0.051 0.000 1.114 239 L CA -0.286 54.568 54.840 0.024 0.000 0.804 239 L CB 0.991 43.077 42.059 0.045 0.000 1.146 239 L HN -0.049 nan 8.230 nan 0.000 0.451 240 S N 0.232 115.998 115.700 0.110 0.000 2.382 240 S HA -0.161 4.308 4.470 -0.001 0.000 0.228 240 S C 1.919 176.594 174.600 0.125 0.000 1.027 240 S CA 1.611 59.888 58.200 0.127 0.000 0.991 240 S CB -0.144 63.211 63.200 0.259 0.000 0.823 240 S HN 0.886 nan 8.310 nan 0.000 0.469 241 S N 1.495 117.273 115.700 0.131 0.000 2.469 241 S HA -0.111 4.359 4.470 -0.001 0.000 0.238 241 S C 1.096 175.782 174.600 0.144 0.000 0.998 241 S CA 0.982 59.263 58.200 0.135 0.000 0.957 241 S CB -0.267 63.016 63.200 0.139 0.000 0.764 241 S HN 0.386 nan 8.310 nan 0.000 0.514 242 D N 1.270 121.756 120.400 0.144 0.000 2.214 242 D HA 0.007 4.646 4.640 -0.001 0.000 0.217 242 D C 2.112 178.438 176.300 0.042 0.000 0.973 242 D CA 0.987 55.078 54.000 0.152 0.000 0.880 242 D CB -0.652 40.234 40.800 0.143 0.000 1.031 242 D HN 0.316 nan 8.370 nan 0.000 0.468 243 Q N 1.266 121.070 119.800 0.007 0.000 2.181 243 Q HA -0.100 4.239 4.340 -0.001 0.000 0.205 243 Q C 2.225 178.272 176.000 0.078 0.000 0.980 243 Q CA 0.866 56.674 55.803 0.008 0.000 0.862 243 Q CB -0.564 28.163 28.738 -0.020 0.000 0.905 243 Q HN 0.550 nan 8.270 nan 0.000 0.429 244 I N -3.176 117.445 120.570 0.084 0.000 2.700 244 I HA -0.172 3.997 4.170 -0.001 0.000 0.261 244 I C 1.511 177.676 176.117 0.081 0.000 1.219 244 I CA 0.862 62.214 61.300 0.087 0.000 1.463 244 I CB -0.467 37.590 38.000 0.096 0.000 1.092 244 I HN 0.066 nan 8.210 nan 0.000 0.452 245 L N -0.406 120.876 121.223 0.099 0.000 2.362 245 L HA -0.095 4.244 4.340 -0.001 0.000 0.219 245 L C 2.227 179.180 176.870 0.138 0.000 1.134 245 L CA 1.288 56.192 54.840 0.107 0.000 0.807 245 L CB -0.371 41.773 42.059 0.141 0.000 0.927 245 L HN 0.376 nan 8.230 nan 0.000 0.447 246 F N -1.309 118.632 119.950 -0.016 0.000 2.577 246 F HA 0.072 4.599 4.527 -0.000 0.000 0.276 246 F C 2.276 178.061 175.800 -0.025 0.000 1.032 246 F CA 0.449 58.432 58.000 -0.028 0.000 1.297 246 F CB 0.245 39.214 39.000 -0.051 0.000 1.061 246 F HN -0.206 nan 8.300 nan 0.000 0.680 247 S N 0.090 115.839 115.700 0.082 0.000 2.503 247 S HA 0.061 4.530 4.470 -0.001 0.000 0.217 247 S C 0.860 175.444 174.600 -0.028 0.000 0.999 247 S CA 0.374 58.577 58.200 0.004 0.000 0.914 247 S CB -0.487 62.781 63.200 0.113 0.000 0.782 247 S HN 0.418 nan 8.310 nan 0.000 0.520 248 S N 1.815 117.511 115.700 -0.006 0.000 2.593 248 S HA 0.141 4.611 4.470 -0.001 0.000 0.269 248 S C 0.828 175.410 174.600 -0.029 0.000 1.334 248 S CA -0.464 57.739 58.200 0.005 0.000 1.015 248 S CB 0.601 63.819 63.200 0.030 0.000 0.912 248 S HN 0.166 nan 8.310 nan 0.000 0.541 249 D N 0.293 120.685 120.400 -0.012 0.000 2.117 249 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 249 D C 1.638 177.921 176.300 -0.029 0.000 0.987 249 D CA 1.195 55.181 54.000 -0.024 0.000 0.829 249 D CB -0.359 40.436 40.800 -0.008 0.000 0.961 249 D HN 0.494 nan 8.370 nan 0.000 0.460 250 L N 0.472 121.687 121.223 -0.013 0.000 2.141 250 L HA 0.066 4.405 4.340 -0.001 0.000 0.209 250 L C 2.153 179.006 176.870 -0.028 0.000 1.094 250 L CA 1.902 56.735 54.840 -0.013 0.000 0.763 250 L CB -0.893 41.169 42.059 0.004 0.000 0.908 250 L HN 0.047 nan 8.230 nan 0.000 0.437 251 A N -1.125 121.672 122.820 -0.038 0.000 1.969 251 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 251 A C 2.237 179.763 177.584 -0.096 0.000 1.169 251 A CA 1.570 53.572 52.037 -0.058 0.000 0.635 251 A CB -1.016 17.947 19.000 -0.061 0.000 0.810 251 A HN 0.287 nan 8.150 nan 0.000 0.445 252 V N 1.164 121.009 119.914 -0.114 0.000 2.242 252 V HA -0.333 3.786 4.120 -0.001 0.000 0.257 252 V C 1.438 177.470 176.094 -0.102 0.000 1.073 252 V CA 2.352 64.573 62.300 -0.131 0.000 1.058 252 V CB -0.686 31.075 31.823 -0.103 0.000 0.664 252 V HN 0.663 nan 8.190 nan 0.000 0.451 253 N N -0.860 117.797 118.700 -0.071 0.000 2.275 253 N HA 0.103 4.842 4.740 -0.001 0.000 0.236 253 N C 0.955 176.436 175.510 -0.049 0.000 1.154 253 N CA 0.865 53.881 53.050 -0.058 0.000 0.866 253 N CB 1.030 39.490 38.487 -0.045 0.000 1.093 253 N HN 0.813 nan 8.380 nan 0.000 0.515 254 T N -3.489 111.033 114.554 -0.052 0.000 3.364 254 T HA -0.012 4.337 4.350 -0.001 0.000 0.179 254 T C 1.858 176.528 174.700 -0.050 0.000 0.939 254 T CA 0.680 62.755 62.100 -0.042 0.000 1.094 254 T CB -0.507 68.344 68.868 -0.029 0.000 1.532 254 T HN 0.010 nan 8.240 nan 0.000 0.346 255 T N -0.221 114.308 114.554 -0.042 0.000 2.978 255 T HA 0.167 4.517 4.350 -0.001 0.000 0.262 255 T C 1.968 176.648 174.700 -0.034 0.000 1.063 255 T CA 1.197 63.278 62.100 -0.032 0.000 1.140 255 T CB -0.404 68.467 68.868 0.004 0.000 0.886 255 T HN 0.462 nan 8.240 nan 0.000 0.470 256 K N 1.441 121.807 120.400 -0.057 0.000 2.059 256 K HA -0.191 4.128 4.320 -0.001 0.000 0.212 256 K C 2.329 178.904 176.600 -0.040 0.000 1.050 256 K CA 1.597 57.839 56.287 -0.075 0.000 0.927 256 K CB -0.148 32.212 32.500 -0.234 0.000 0.714 256 K HN 0.341 nan 8.250 nan 0.000 0.447 257 K N 0.402 120.754 120.400 -0.080 0.000 2.148 257 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 257 K C 2.150 178.657 176.600 -0.154 0.000 1.050 257 K CA 0.920 57.154 56.287 -0.088 0.000 0.942 257 K CB -0.043 32.405 32.500 -0.086 0.000 0.724 257 K HN 0.216 nan 8.250 nan 0.000 0.446 258 L N 0.670 121.766 121.223 -0.212 0.000 2.056 258 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 258 L C 2.178 178.696 176.870 -0.587 0.000 1.078 258 L CA 0.932 55.497 54.840 -0.458 0.000 0.749 258 L CB -0.152 41.659 42.059 -0.413 0.000 0.901 258 L HN 0.003 nan 8.230 nan 0.000 0.433 259 V N -0.067 119.716 119.914 -0.218 0.000 2.343 259 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 259 V C 2.248 178.315 176.094 -0.045 0.000 1.051 259 V CA 1.849 64.139 62.300 -0.018 0.000 1.036 259 V CB -0.455 31.516 31.823 0.247 0.000 0.654 259 V HN 0.491 nan 8.190 nan 0.000 0.451 260 E N 0.162 120.352 120.200 -0.015 0.000 2.106 260 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 260 E C 2.303 178.860 176.600 -0.072 0.000 0.984 260 E CA 1.142 57.543 56.400 0.001 0.000 0.806 260 E CB -0.301 29.430 29.700 0.052 0.000 0.750 260 E HN 0.609 nan 8.360 nan 0.000 0.458 261 A N 0.671 123.393 122.820 -0.164 0.000 1.898 261 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 261 A C 1.707 179.245 177.584 -0.077 0.000 1.181 261 A CA 1.050 52.999 52.037 -0.147 0.000 0.620 261 A CB -0.587 18.284 19.000 -0.216 0.000 0.819 261 A HN 0.219 nan 8.150 nan 0.000 0.442 262 Y N 1.410 121.554 120.300 -0.261 0.000 2.293 262 Y HA -0.153 4.397 4.550 -0.001 0.000 0.291 262 Y C 3.073 178.820 175.900 -0.255 0.000 1.137 262 Y CA 0.700 58.564 58.100 -0.392 0.000 1.202 262 Y CB -1.005 36.785 38.460 -1.117 0.000 0.990 262 Y HN 0.503 nan 8.280 nan 0.000 0.537 263 S N 0.091 115.778 115.700 -0.022 0.000 2.402 263 S HA -0.147 4.322 4.470 -0.001 0.000 0.229 263 S C 1.927 176.523 174.600 -0.006 0.000 1.021 263 S CA 0.842 59.047 58.200 0.008 0.000 0.974 263 S CB -0.339 62.860 63.200 -0.003 0.000 0.800 263 S HN 0.443 nan 8.310 nan 0.000 0.484 264 R N 0.773 121.267 120.500 -0.010 0.000 2.119 264 R HA 0.228 4.567 4.340 -0.001 0.000 0.222 264 R C 0.604 176.899 176.300 -0.008 0.000 1.088 264 R CA 0.959 57.053 56.100 -0.011 0.000 0.984 264 R CB -0.104 30.189 30.300 -0.012 0.000 0.884 264 R HN 0.395 nan 8.270 nan 0.000 0.447 265 S N 0.280 115.985 115.700 0.008 0.000 2.774 265 S HA 0.084 4.553 4.470 -0.001 0.000 0.297 265 S C 0.288 174.885 174.600 -0.005 0.000 1.143 265 S CA -0.728 57.473 58.200 0.002 0.000 1.090 265 S CB 1.791 65.005 63.200 0.023 0.000 1.019 265 S HN 0.237 nan 8.310 nan 0.000 0.482 266 Q N 3.453 123.200 119.800 -0.088 0.000 2.230 266 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 266 Q C 1.790 177.579 176.000 -0.352 0.000 0.963 266 Q CA 1.941 57.614 55.803 -0.217 0.000 0.866 266 Q CB -0.137 28.381 28.738 -0.366 0.000 0.931 266 Q HN 0.854 nan 8.270 nan 0.000 0.452 267 S N 0.253 115.832 115.700 -0.201 0.000 2.383 267 S HA -0.168 4.301 4.470 -0.001 0.000 0.227 267 S C 1.872 176.475 174.600 0.004 0.000 1.026 267 S CA 1.005 59.141 58.200 -0.106 0.000 0.981 267 S CB -0.451 62.726 63.200 -0.038 0.000 0.818 267 S HN 0.472 nan 8.310 nan 0.000 0.472 268 L N 0.783 122.029 121.223 0.040 0.000 2.027 268 L HA 0.124 4.464 4.340 -0.001 0.000 0.206 268 L C 2.124 179.063 176.870 0.115 0.000 1.074 268 L CA 1.769 56.679 54.840 0.116 0.000 0.745 268 L CB -1.252 40.912 42.059 0.175 0.000 0.898 268 L HN 0.341 nan 8.230 nan 0.000 0.433 269 F N -0.145 119.712 119.950 -0.155 0.000 2.095 269 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 269 F C 2.074 177.893 175.800 0.032 0.000 1.104 269 F CA 1.526 59.237 58.000 -0.482 0.000 1.232 269 F CB -0.896 37.842 39.000 -0.435 0.000 0.987 269 F HN 0.105 nan 8.300 nan 0.000 0.475 270 F N 1.183 120.890 119.950 -0.405 0.000 2.171 270 F HA -0.112 4.415 4.527 -0.001 0.000 0.300 270 F C 2.596 178.287 175.800 -0.181 0.000 1.090 270 F CA 1.348 59.122 58.000 -0.377 0.000 1.293 270 F CB -1.269 37.629 39.000 -0.170 0.000 1.013 270 F HN 0.013 nan 8.300 nan 0.000 0.486 271 R N 0.038 120.593 120.500 0.092 0.000 2.066 271 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 271 R C 1.791 178.090 176.300 -0.003 0.000 1.131 271 R CA 1.613 57.739 56.100 0.044 0.000 0.955 271 R CB -0.578 29.757 30.300 0.058 0.000 0.851 271 R HN 0.164 nan 8.270 nan 0.000 0.432 272 D N 0.126 120.541 120.400 0.024 0.000 2.178 272 D HA -0.144 4.495 4.640 -0.001 0.000 0.202 272 D C 1.498 177.787 176.300 -0.019 0.000 0.974 272 D CA 0.839 54.864 54.000 0.041 0.000 0.841 272 D CB -0.189 40.712 40.800 0.169 0.000 0.953 272 D HN 0.066 nan 8.370 nan 0.000 0.478 273 F N 1.338 121.158 119.950 -0.218 0.000 2.146 273 F HA -0.178 4.348 4.527 -0.001 0.000 0.298 273 F C 2.288 177.854 175.800 -0.391 0.000 1.096 273 F CA 1.287 59.130 58.000 -0.262 0.000 1.275 273 F CB -0.448 38.275 39.000 -0.463 0.000 1.008 273 F HN -0.149 nan 8.300 nan 0.000 0.480 274 T N -0.503 113.807 114.554 -0.408 0.000 2.746 274 T HA -0.266 4.083 4.350 -0.001 0.000 0.267 274 T C 2.251 176.553 174.700 -0.663 0.000 1.039 274 T CA 1.510 63.163 62.100 -0.746 0.000 1.142 274 T CB -1.076 67.566 68.868 -0.377 0.000 0.866 274 T HN 0.579 nan 8.240 nan 0.000 0.444 275 C N 1.656 120.744 119.300 -0.352 0.000 2.432 275 C HA 0.082 4.541 4.460 -0.001 0.000 0.277 275 C C 3.105 177.947 174.990 -0.246 0.000 1.249 275 C CA 0.840 59.716 59.018 -0.236 0.000 1.725 275 C CB -1.439 26.236 27.740 -0.108 0.000 2.028 275 C HN 0.588 nan 8.230 nan 0.000 0.477 276 A N 0.072 122.737 122.820 -0.259 0.000 1.930 276 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 276 A C 2.251 179.659 177.584 -0.293 0.000 1.175 276 A CA 1.847 53.767 52.037 -0.197 0.000 0.627 276 A CB -0.568 18.357 19.000 -0.124 0.000 0.815 276 A HN 0.576 nan 8.150 nan 0.000 0.443 277 M N -0.354 118.899 119.600 -0.578 0.000 2.117 277 M HA -0.076 4.403 4.480 -0.001 0.000 0.262 277 M C 2.159 178.286 176.300 -0.289 0.000 1.065 277 M CA 1.354 56.333 55.300 -0.535 0.000 1.114 277 M CB -1.161 30.843 32.600 -0.993 0.000 1.361 277 M HN 0.432 nan 8.290 nan 0.000 0.408 278 I N -0.627 119.714 120.570 -0.382 0.000 2.226 278 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 278 I C 2.545 178.623 176.117 -0.065 0.000 1.100 278 I CA 1.215 62.416 61.300 -0.165 0.000 1.374 278 I CB -0.361 37.529 38.000 -0.184 0.000 1.057 278 I HN 0.296 nan 8.210 nan 0.000 0.413 279 R N 0.185 120.631 120.500 -0.089 0.000 2.073 279 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 279 R C 2.394 178.682 176.300 -0.020 0.000 1.134 279 R CA 1.655 57.730 56.100 -0.041 0.000 0.952 279 R CB -0.341 29.939 30.300 -0.034 0.000 0.850 279 R HN 0.340 nan 8.270 nan 0.000 0.433 280 M N -0.042 119.549 119.600 -0.015 0.000 2.159 280 M HA -0.075 4.405 4.480 -0.001 0.000 0.263 280 M C 1.862 178.172 176.300 0.017 0.000 1.063 280 M CA 2.075 57.384 55.300 0.016 0.000 1.110 280 M CB -0.177 32.461 32.600 0.063 0.000 1.374 280 M HN 0.279 nan 8.290 nan 0.000 0.411 281 G N 0.053 108.900 108.800 0.079 0.000 2.625 281 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.214 281 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.214 281 G C 0.933 175.895 174.900 0.103 0.000 1.132 281 G CA 0.499 45.704 45.100 0.175 0.000 0.782 281 G HN 0.474 nan 8.290 nan 0.000 0.538 282 N N 0.113 118.840 118.700 0.044 0.000 2.280 282 N HA 0.149 4.888 4.740 -0.001 0.000 0.192 282 N C 0.522 176.031 175.510 -0.002 0.000 1.109 282 N CA -0.158 52.907 53.050 0.024 0.000 0.855 282 N CB 0.558 39.050 38.487 0.009 0.000 0.974 282 N HN 0.281 nan 8.380 nan 0.000 0.482 283 I N 0.716 121.273 120.570 -0.021 0.000 2.598 283 I HA -0.004 4.165 4.170 -0.001 0.000 0.284 283 I C 0.597 176.694 176.117 -0.033 0.000 1.140 283 I CA 0.369 61.636 61.300 -0.056 0.000 1.420 283 I CB 0.537 38.469 38.000 -0.114 0.000 1.387 283 I HN -0.123 nan 8.210 nan 0.000 0.553 284 S N 4.517 120.195 115.700 -0.036 0.000 2.546 284 S HA 0.305 4.774 4.470 -0.001 0.000 0.274 284 S C 0.211 174.793 174.600 -0.029 0.000 1.121 284 S CA -0.908 57.279 58.200 -0.020 0.000 0.887 284 S CB 1.282 64.477 63.200 -0.007 0.000 1.094 284 S HN 0.730 nan 8.310 nan 0.000 0.474 285 N N 2.377 121.063 118.700 -0.023 0.000 2.270 285 N HA 0.180 4.920 4.740 -0.001 0.000 0.198 285 N C 1.206 176.707 175.510 -0.016 0.000 1.117 285 N CA 0.776 53.811 53.050 -0.024 0.000 0.845 285 N CB -0.130 38.343 38.487 -0.024 0.000 0.980 285 N HN 1.270 nan 8.380 nan 0.000 0.486 286 G N -0.396 108.398 108.800 -0.011 0.000 2.186 286 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.266 286 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.266 286 G C 0.428 175.325 174.900 -0.004 0.000 0.982 286 G CA 0.597 45.693 45.100 -0.007 0.000 0.670 286 G HN 0.867 nan 8.290 nan 0.000 0.533 287 A N 0.085 122.903 122.820 -0.003 0.000 2.346 287 A HA 0.708 5.027 4.320 -0.001 0.000 0.252 287 A C 1.164 178.750 177.584 0.002 0.000 1.089 287 A CA 0.841 52.877 52.037 -0.001 0.000 0.797 287 A CB 0.248 19.247 19.000 -0.002 0.000 1.047 287 A HN 1.922 nan 8.150 nan 0.000 0.494 288 S N -0.112 115.589 115.700 0.003 0.000 2.572 288 S HA 0.580 5.049 4.470 -0.001 0.000 0.279 288 S C 0.392 174.998 174.600 0.009 0.000 1.341 288 S CA -0.022 58.181 58.200 0.005 0.000 1.043 288 S CB 0.985 64.188 63.200 0.004 0.000 0.887 288 S HN 1.642 nan 8.310 nan 0.000 0.516 289 G N 0.605 109.412 108.800 0.012 0.000 2.870 289 G HA2 0.732 4.692 3.960 -0.001 0.000 0.299 289 G HA3 0.732 4.692 3.960 -0.001 0.000 0.299 289 G C -1.340 173.572 174.900 0.020 0.000 1.324 289 G CA -0.789 44.321 45.100 0.017 0.000 0.808 289 G HN 0.975 nan 8.290 nan 0.000 0.535 290 E N -2.397 117.818 120.200 0.025 0.000 2.442 290 E HA 0.491 4.840 4.350 -0.001 0.000 0.278 290 E C -1.832 174.790 176.600 0.037 0.000 1.082 290 E CA -0.899 55.517 56.400 0.027 0.000 0.861 290 E CB 1.584 31.296 29.700 0.020 0.000 1.462 290 E HN 0.337 nan 8.360 nan 0.000 0.458 291 V N 1.623 121.560 119.914 0.038 0.000 2.320 291 V HA 0.283 4.402 4.120 -0.001 0.000 0.265 291 V C 0.306 176.416 176.094 0.026 0.000 1.048 291 V CA -0.367 61.959 62.300 0.043 0.000 0.865 291 V CB 0.396 32.249 31.823 0.050 0.000 1.043 291 V HN 0.513 nan 8.190 nan 0.000 0.474 292 R N 2.769 123.284 120.500 0.025 0.000 2.449 292 R HA 0.115 4.454 4.340 -0.001 0.000 0.296 292 R C 1.442 177.747 176.300 0.009 0.000 1.047 292 R CA 0.568 56.678 56.100 0.016 0.000 1.018 292 R CB 0.929 31.240 30.300 0.019 0.000 0.962 292 R HN 0.877 nan 8.270 nan 0.000 0.428 293 T N 0.118 114.675 114.554 0.004 0.000 3.035 293 T HA -0.029 4.321 4.350 -0.001 0.000 0.259 293 T C 0.670 175.369 174.700 -0.002 0.000 1.078 293 T CA 0.330 62.429 62.100 -0.002 0.000 1.132 293 T CB 0.002 68.868 68.868 -0.003 0.000 0.900 293 T HN 0.638 nan 8.240 nan 0.000 0.480 294 N N -0.729 117.971 118.700 0.001 0.000 2.491 294 N HA 0.312 5.051 4.740 -0.001 0.000 0.274 294 N C 0.422 175.935 175.510 0.005 0.000 1.023 294 N CA -0.688 52.363 53.050 0.001 0.000 0.902 294 N CB 1.071 39.557 38.487 -0.002 0.000 1.267 294 N HN 0.073 nan 8.380 nan 0.000 0.503 295 c N 2.077 120.685 118.600 0.012 0.000 2.401 295 c HA -0.072 4.497 4.570 -0.001 0.000 0.286 295 c C 2.158 176.251 174.090 0.005 0.000 1.332 295 c CA 0.615 56.956 56.329 0.020 0.000 1.795 295 c CB -1.204 41.330 42.510 0.041 0.000 1.922 295 c HN 0.756 nan 8.230 nan 0.000 0.520 296 R N -0.437 120.058 120.500 -0.009 0.000 2.275 296 R HA 0.229 4.568 4.340 -0.001 0.000 0.199 296 R C 0.340 176.621 176.300 -0.032 0.000 0.989 296 R CA 0.396 56.475 56.100 -0.035 0.000 1.016 296 R CB 0.109 30.384 30.300 -0.043 0.000 0.918 296 R HN 0.413 nan 8.270 nan 0.000 0.473 297 V N 0.893 120.796 119.914 -0.017 0.000 3.087 297 V HA 0.333 4.452 4.120 -0.001 0.000 0.306 297 V C -0.774 175.316 176.094 -0.007 0.000 1.187 297 V CA -1.368 60.923 62.300 -0.015 0.000 0.999 297 V CB 2.051 33.865 31.823 -0.015 0.000 1.049 297 V HN 0.158 nan 8.190 nan 0.000 0.431 298 I N 2.217 122.783 120.570 -0.006 0.000 3.004 298 I HA 0.404 4.573 4.170 -0.001 0.000 0.287 298 I C 1.003 177.120 176.117 -0.001 0.000 1.144 298 I CA -0.212 61.087 61.300 -0.001 0.000 1.353 298 I CB 0.406 38.405 38.000 -0.001 0.000 1.417 298 I HN 0.609 nan 8.210 nan 0.000 0.602 299 N N 2.604 121.305 118.700 0.002 0.000 2.188 299 N HA -0.072 4.668 4.740 -0.001 0.000 0.184 299 N C -0.122 175.389 175.510 0.001 0.000 1.018 299 N CA 1.120 54.171 53.050 0.002 0.000 0.858 299 N CB -0.575 37.915 38.487 0.005 0.000 0.989 299 N HN 0.703 nan 8.380 nan 0.000 0.426 300 N N 0.000 118.701 118.700 0.001 0.000 1.763 300 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 300 N CA 0.000 53.050 53.050 0.000 0.000 0.885 300 N CB 0.000 38.488 38.487 0.001 0.000 1.341 300 N HN 0.000 nan 8.380 nan 0.000 0.667