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 1rzu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNVLSVSSEI YPLIKTGGLA DVVGALPIAL EAHGVRTRTL IPGYPAVKAA DATA SEQUENCE VTDPVKCFEF TDLLGEKADL LEVQHERLDL LILDAPAYYE RSGGPYLGQT DATA SEQUENCE GKDYPDNWKR FAALSLAAAR IGAGVLPGWR PDMVHAHDWQ AAMTPVYMRY DATA SEQUENCE AETPEIPSLL TIHNIAFQGQ FGANIFSKLA LPAHAFGMEG IEYYNDVSFL DATA SEQUENCE KGGLQTATAL STVSPSYAEE ILTAEFGMGL EGVIGSRAHV LHGIVNGIDA DATA SEQUENCE DVWNPATDHL IHDNYSAANL KNRALNKKAV AEHFRIDDDG SPLFCVISRL DATA SEQUENCE TWQKGIDLMA EAVDEIVSLG GRLVVLGAGD VALEGALLAA ASRHHGRVGV DATA SEQUENCE AIGYNEPLSH LMQAGCDAII IPSRFEPCGL TQLYALRYGC IPVVARTGGL DATA SEQUENCE ADTVIDANHA ALASKAATGV QFSPVTLDGL KQAIRRTVRY YHDPKLWTQM DATA SEQUENCE QKLGMKSDVS WEKSAGLYAA LYSQLIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.367 176.300 0.112 0.000 1.140 1 M CA 0.000 55.349 55.300 0.082 0.000 0.988 1 M CB 0.000 32.652 32.600 0.086 0.000 1.302 2 N N 1.868 120.612 118.700 0.073 0.000 2.424 2 N HA 0.674 5.414 4.740 -0.000 0.000 0.271 2 N C -1.489 174.068 175.510 0.079 0.000 0.985 2 N CA -0.362 52.778 53.050 0.149 0.000 0.921 2 N CB 2.786 41.316 38.487 0.070 0.000 1.149 2 N HN 0.480 nan 8.380 nan 0.000 0.492 3 V N 2.535 122.566 119.914 0.195 0.000 2.628 3 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 3 V C -0.289 175.960 176.094 0.258 0.000 1.045 3 V CA -0.887 61.462 62.300 0.082 0.000 0.905 3 V CB 2.208 34.011 31.823 -0.033 0.000 0.997 3 V HN 0.442 nan 8.190 nan 0.000 0.436 4 L N 3.846 125.173 121.223 0.174 0.000 2.276 4 L HA 0.634 4.974 4.340 -0.000 0.000 0.286 4 L C 0.133 177.076 176.870 0.121 0.000 1.024 4 L CA 0.595 55.583 54.840 0.248 0.000 0.826 4 L CB 1.418 43.608 42.059 0.218 0.000 1.211 4 L HN 0.705 nan 8.230 nan 0.000 0.422 5 S N 3.820 119.587 115.700 0.111 0.000 2.585 5 S HA 0.821 5.291 4.470 -0.000 0.000 0.277 5 S C -0.803 173.835 174.600 0.063 0.000 1.241 5 S CA -0.510 57.734 58.200 0.073 0.000 1.041 5 S CB 1.031 64.278 63.200 0.077 0.000 0.987 5 S HN 0.475 nan 8.310 nan 0.000 0.512 6 V N 3.238 123.185 119.914 0.056 0.000 2.569 6 V HA 0.765 4.885 4.120 -0.000 0.000 0.301 6 V C -0.332 175.806 176.094 0.073 0.000 1.044 6 V CA -0.539 61.790 62.300 0.048 0.000 0.874 6 V CB 1.319 33.163 31.823 0.035 0.000 1.002 6 V HN 0.859 nan 8.190 nan 0.000 0.424 7 S N 2.304 118.026 115.700 0.035 0.000 2.565 7 S HA 0.439 4.909 4.470 -0.000 0.000 0.269 7 S C 0.615 175.201 174.600 -0.023 0.000 1.153 7 S CA 0.206 58.413 58.200 0.010 0.000 0.835 7 S CB 2.186 65.379 63.200 -0.012 0.000 1.122 7 S HN 1.043 nan 8.310 nan 0.000 0.462 8 S N 1.247 116.927 115.700 -0.033 0.000 2.575 8 S HA 0.317 4.787 4.470 -0.000 0.000 0.215 8 S C 0.197 174.906 174.600 0.183 0.000 0.966 8 S CA 0.206 58.449 58.200 0.072 0.000 0.911 8 S CB -0.672 62.518 63.200 -0.016 0.000 0.780 8 S HN 0.835 nan 8.310 nan 0.000 0.514 9 E N -0.352 119.897 120.200 0.081 0.000 2.401 9 E HA 0.700 5.050 4.350 -0.000 0.000 0.280 9 E C -1.607 174.999 176.600 0.010 0.000 1.039 9 E CA -1.131 55.324 56.400 0.092 0.000 0.814 9 E CB 1.119 30.882 29.700 0.105 0.000 1.275 9 E HN 0.204 nan 8.360 nan 0.000 0.448 10 I N 1.733 122.319 120.570 0.027 0.000 2.731 10 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 10 I C -1.930 174.213 176.117 0.044 0.000 1.399 10 I CA -0.811 60.491 61.300 0.003 0.000 1.048 10 I CB 1.727 39.710 38.000 -0.028 0.000 1.345 10 I HN 0.779 nan 8.210 nan 0.000 0.425 11 Y N 9.629 129.897 120.300 -0.053 0.000 2.309 11 Y HA 0.499 5.049 4.550 -0.000 0.000 0.327 11 Y C -1.764 174.107 175.900 -0.048 0.000 1.172 11 Y CA -1.154 56.927 58.100 -0.032 0.000 1.280 11 Y CB 1.158 39.602 38.460 -0.026 0.000 1.234 11 Y HN 0.330 nan 8.280 nan 0.000 0.512 12 P HA 0.089 nan 4.420 nan 0.000 0.258 12 P C 0.533 177.601 177.300 -0.387 0.000 1.416 12 P CA 0.457 62.847 63.100 -1.183 0.000 0.927 12 P CB 0.248 31.133 31.700 -1.359 0.000 1.444 13 L N -0.607 120.526 121.223 -0.150 0.000 2.022 13 L HA 0.112 4.452 4.340 -0.000 0.000 0.204 13 L C 1.271 178.140 176.870 -0.001 0.000 1.076 13 L CA 1.047 55.876 54.840 -0.019 0.000 0.749 13 L CB -0.164 41.920 42.059 0.042 0.000 0.903 13 L HN 0.012 nan 8.230 nan 0.000 0.439 14 I N -0.809 119.778 120.570 0.028 0.000 2.730 14 I HA 0.392 4.562 4.170 -0.000 0.000 0.298 14 I C -0.795 175.350 176.117 0.047 0.000 1.089 14 I CA -0.382 60.937 61.300 0.031 0.000 1.041 14 I CB 1.860 39.905 38.000 0.074 0.000 1.235 14 I HN -0.053 nan 8.210 nan 0.000 0.423 15 K N 3.477 123.897 120.400 0.033 0.000 2.575 15 K HA 0.397 4.717 4.320 -0.000 0.000 0.255 15 K C -0.752 175.880 176.600 0.053 0.000 0.953 15 K CA 0.161 56.493 56.287 0.074 0.000 0.840 15 K CB 1.528 34.115 32.500 0.145 0.000 1.303 15 K HN 0.748 nan 8.250 nan 0.000 0.438 16 T N -0.796 113.810 114.554 0.086 0.000 2.958 16 T HA 0.410 4.760 4.350 -0.000 0.000 0.256 16 T C 0.621 175.401 174.700 0.134 0.000 0.983 16 T CA 0.350 62.515 62.100 0.108 0.000 0.924 16 T CB 0.801 69.773 68.868 0.173 0.000 1.136 16 T HN 0.596 nan 8.240 nan 0.000 0.506 17 G N -0.322 108.556 108.800 0.130 0.000 2.554 17 G HA2 0.487 4.447 3.960 -0.000 0.000 0.306 17 G HA3 0.487 4.447 3.960 -0.000 0.000 0.306 17 G C 0.662 175.617 174.900 0.092 0.000 1.320 17 G CA -0.096 45.081 45.100 0.128 0.000 0.800 17 G HN 0.176 nan 8.290 nan 0.000 0.481 18 G N -0.370 108.484 108.800 0.090 0.000 2.501 18 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 18 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 18 G C 1.704 176.617 174.900 0.021 0.000 1.114 18 G CA 1.027 46.168 45.100 0.067 0.000 0.757 18 G HN 0.537 nan 8.290 nan 0.000 0.559 19 L N 0.366 121.574 121.223 -0.024 0.000 2.021 19 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 19 L C 3.118 179.849 176.870 -0.232 0.000 1.074 19 L CA 1.889 56.582 54.840 -0.245 0.000 0.760 19 L CB -0.289 41.672 42.059 -0.164 0.000 0.889 19 L HN 0.346 nan 8.230 nan 0.000 0.433 20 A N -0.818 121.957 122.820 -0.076 0.000 1.968 20 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 20 A C 1.817 179.388 177.584 -0.023 0.000 1.169 20 A CA 1.518 53.536 52.037 -0.032 0.000 0.638 20 A CB -0.429 18.616 19.000 0.076 0.000 0.812 20 A HN 0.508 nan 8.150 nan 0.000 0.446 21 D N 0.019 120.403 120.400 -0.026 0.000 2.097 21 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 21 D C 2.090 178.321 176.300 -0.114 0.000 0.989 21 D CA 1.595 55.558 54.000 -0.062 0.000 0.827 21 D CB -0.408 40.382 40.800 -0.016 0.000 0.966 21 D HN 0.238 nan 8.370 nan 0.000 0.456 22 V N 1.087 120.953 119.914 -0.079 0.000 2.307 22 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 22 V C 2.700 178.594 176.094 -0.333 0.000 1.045 22 V CA 0.926 63.149 62.300 -0.129 0.000 1.024 22 V CB -0.387 31.522 31.823 0.144 0.000 0.651 22 V HN 0.033 nan 8.190 nan 0.000 0.449 23 V N 0.946 120.633 119.914 -0.377 0.000 2.594 23 V HA -0.151 3.969 4.120 -0.000 0.000 0.253 23 V C 2.423 178.366 176.094 -0.251 0.000 1.069 23 V CA 2.040 64.086 62.300 -0.423 0.000 1.082 23 V CB -1.048 30.509 31.823 -0.444 0.000 0.680 23 V HN 0.626 nan 8.190 nan 0.000 0.469 24 G N -1.086 107.598 108.800 -0.192 0.000 2.539 24 G HA2 0.090 4.050 3.960 -0.000 0.000 0.215 24 G HA3 0.090 4.050 3.960 -0.000 0.000 0.215 24 G C 1.570 176.353 174.900 -0.195 0.000 1.141 24 G CA 0.805 45.838 45.100 -0.112 0.000 0.806 24 G HN 0.570 nan 8.290 nan 0.000 0.533 25 A N 0.119 122.694 122.820 -0.407 0.000 1.997 25 A HA 0.370 4.690 4.320 -0.000 0.000 0.212 25 A C 2.147 179.328 177.584 -0.672 0.000 1.178 25 A CA 0.812 52.448 52.037 -0.667 0.000 0.698 25 A CB -0.195 18.005 19.000 -1.334 0.000 0.842 25 A HN 0.315 nan 8.150 nan 0.000 0.458 26 L N 0.678 121.541 121.223 -0.600 0.000 2.027 26 L HA 0.019 4.359 4.340 -0.000 0.000 0.206 26 L C -0.914 175.890 176.870 -0.110 0.000 1.074 26 L CA 2.206 56.849 54.840 -0.328 0.000 0.745 26 L CB -1.112 40.794 42.059 -0.255 0.000 0.898 26 L HN 0.124 nan 8.230 nan 0.000 0.433 27 P HA -0.159 nan 4.420 nan 0.000 0.215 27 P C 2.033 179.332 177.300 -0.001 0.000 1.157 27 P CA 1.796 64.892 63.100 -0.005 0.000 0.868 27 P CB -0.024 31.661 31.700 -0.026 0.000 0.788 28 I N -0.496 120.046 120.570 -0.048 0.000 2.142 28 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 28 I C 2.399 178.525 176.117 0.014 0.000 1.078 28 I CA 1.712 62.997 61.300 -0.025 0.000 1.343 28 I CB -1.020 36.951 38.000 -0.048 0.000 1.046 28 I HN -0.103 nan 8.210 nan 0.000 0.405 29 A N 0.684 123.518 122.820 0.023 0.000 1.940 29 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 29 A C 2.302 179.988 177.584 0.170 0.000 1.176 29 A CA 1.479 53.588 52.037 0.120 0.000 0.631 29 A CB -0.915 18.226 19.000 0.235 0.000 0.814 29 A HN 0.422 nan 8.150 nan 0.000 0.446 30 L N -0.695 120.633 121.223 0.176 0.000 2.275 30 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 30 L C 2.423 179.392 176.870 0.166 0.000 1.119 30 L CA 1.083 56.069 54.840 0.242 0.000 0.790 30 L CB -0.444 41.736 42.059 0.202 0.000 0.919 30 L HN 0.491 nan 8.230 nan 0.000 0.443 31 E N 0.185 120.438 120.200 0.089 0.000 2.160 31 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 31 E C 2.219 178.824 176.600 0.009 0.000 0.991 31 E CA 1.126 57.558 56.400 0.054 0.000 0.810 31 E CB -0.140 29.578 29.700 0.029 0.000 0.742 31 E HN 0.527 nan 8.360 nan 0.000 0.466 32 A N 0.856 123.638 122.820 -0.064 0.000 2.121 32 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 32 A C 1.211 178.598 177.584 -0.328 0.000 1.154 32 A CA 0.947 52.861 52.037 -0.206 0.000 0.679 32 A CB -0.290 18.540 19.000 -0.284 0.000 0.795 32 A HN 0.264 nan 8.150 nan 0.000 0.458 33 H N -1.280 117.826 119.070 0.059 0.000 2.487 33 H HA 0.296 4.852 4.556 -0.000 0.000 0.290 33 H C 1.442 176.807 175.328 0.062 0.000 1.081 33 H CA 0.316 56.397 56.048 0.055 0.000 1.116 33 H CB -0.100 29.693 29.762 0.051 0.000 1.560 33 H HN 0.563 nan 8.280 nan 0.000 0.548 34 G N 1.275 110.144 108.800 0.115 0.000 2.160 34 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 34 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 34 G C 0.075 175.055 174.900 0.133 0.000 1.008 34 G CA 0.408 45.570 45.100 0.104 0.000 0.724 34 G HN 0.246 nan 8.290 nan 0.000 0.514 35 V N 0.978 120.991 119.914 0.165 0.000 2.347 35 V HA 0.450 4.570 4.120 -0.000 0.000 0.280 35 V C 0.873 177.071 176.094 0.174 0.000 1.021 35 V CA -0.813 61.605 62.300 0.196 0.000 0.847 35 V CB 1.478 33.465 31.823 0.272 0.000 0.990 35 V HN 0.453 nan 8.190 nan 0.000 0.444 36 R N 3.299 123.901 120.500 0.170 0.000 2.267 36 R HA 0.471 4.811 4.340 -0.000 0.000 0.319 36 R C -0.575 175.842 176.300 0.194 0.000 1.067 36 R CA -0.002 56.193 56.100 0.159 0.000 0.936 36 R CB 0.732 31.137 30.300 0.175 0.000 1.006 36 R HN 0.726 nan 8.270 nan 0.000 0.452 37 T N 5.327 119.962 114.554 0.137 0.000 2.824 37 T HA 0.437 4.787 4.350 -0.000 0.000 0.282 37 T C -0.708 174.013 174.700 0.036 0.000 0.993 37 T CA -0.727 61.455 62.100 0.137 0.000 0.967 37 T CB 1.261 70.209 68.868 0.134 0.000 0.960 37 T HN 0.532 nan 8.240 nan 0.000 0.441 38 R N 1.764 122.272 120.500 0.014 0.000 2.437 38 R HA 0.572 4.912 4.340 -0.000 0.000 0.310 38 R C -0.697 175.579 176.300 -0.041 0.000 0.955 38 R CA -0.779 55.230 56.100 -0.152 0.000 0.851 38 R CB 1.569 31.540 30.300 -0.548 0.000 1.161 38 R HN 0.475 nan 8.270 nan 0.000 0.446 39 T N 3.726 118.249 114.554 -0.052 0.000 2.749 39 T HA 0.227 4.577 4.350 -0.000 0.000 0.287 39 T C -0.063 174.620 174.700 -0.028 0.000 0.970 39 T CA -0.572 61.517 62.100 -0.018 0.000 0.980 39 T CB 0.924 69.777 68.868 -0.025 0.000 0.924 39 T HN 0.249 nan 8.240 nan 0.000 0.456 40 L N 6.414 127.636 121.223 -0.002 0.000 2.278 40 L HA 0.590 4.930 4.340 -0.000 0.000 0.287 40 L C -0.490 176.354 176.870 -0.043 0.000 1.072 40 L CA -0.502 54.332 54.840 -0.011 0.000 0.819 40 L CB 0.053 42.127 42.059 0.024 0.000 1.176 40 L HN 0.677 nan 8.230 nan 0.000 0.435 41 I N 2.981 123.498 120.570 -0.088 0.000 2.785 41 I HA 0.634 4.804 4.170 -0.000 0.000 0.302 41 I C -2.649 173.283 176.117 -0.307 0.000 1.069 41 I CA -2.888 58.310 61.300 -0.169 0.000 1.045 41 I CB 1.890 39.807 38.000 -0.138 0.000 1.236 41 I HN 0.342 nan 8.210 nan 0.000 0.429 42 P HA 0.124 nan 4.420 nan 0.000 0.269 42 P C 0.294 177.106 177.300 -0.814 0.000 1.209 42 P CA -0.088 62.385 63.100 -1.045 0.000 0.776 42 P CB 0.551 31.013 31.700 -2.064 0.000 0.876 43 G N 2.250 110.811 108.800 -0.399 0.000 3.213 43 G HA2 0.109 4.068 3.960 -0.000 0.000 0.263 43 G HA3 0.109 4.068 3.960 -0.000 0.000 0.263 43 G C -0.551 174.330 174.900 -0.031 0.000 0.829 43 G CA -0.008 45.021 45.100 -0.118 0.000 1.983 43 G HN 0.328 nan 8.290 nan 0.000 0.616 44 Y N 0.795 121.065 120.300 -0.050 0.000 2.480 44 Y HA 0.142 4.692 4.550 -0.000 0.000 0.338 44 Y C -0.819 175.081 175.900 -0.000 0.000 1.220 44 Y CA -2.085 56.005 58.100 -0.017 0.000 1.430 44 Y CB 0.537 38.959 38.460 -0.064 0.000 1.311 44 Y HN 0.224 nan 8.280 nan 0.000 0.575 45 P HA -0.260 nan 4.420 nan 0.000 0.215 45 P C 1.134 178.471 177.300 0.062 0.000 1.157 45 P CA 2.809 65.963 63.100 0.090 0.000 0.874 45 P CB 0.127 31.868 31.700 0.069 0.000 0.790 46 A N -1.081 121.781 122.820 0.069 0.000 2.070 46 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 46 A C 2.235 179.840 177.584 0.034 0.000 1.159 46 A CA 1.416 53.474 52.037 0.036 0.000 0.656 46 A CB -1.532 17.479 19.000 0.017 0.000 0.800 46 A HN 0.047 nan 8.150 nan 0.000 0.453 47 V N -0.075 119.881 119.914 0.070 0.000 2.273 47 V HA -0.213 3.907 4.120 -0.000 0.000 0.242 47 V C 2.359 178.430 176.094 -0.038 0.000 1.035 47 V CA 2.180 64.492 62.300 0.020 0.000 1.013 47 V CB -0.605 31.226 31.823 0.015 0.000 0.652 47 V HN 0.522 nan 8.190 nan 0.000 0.452 48 K N 0.301 120.689 120.400 -0.020 0.000 2.152 48 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 48 K C 2.215 178.781 176.600 -0.056 0.000 1.048 48 K CA 1.428 57.692 56.287 -0.039 0.000 0.933 48 K CB -0.365 32.127 32.500 -0.014 0.000 0.721 48 K HN 0.489 nan 8.250 nan 0.000 0.447 49 A N 1.545 124.341 122.820 -0.041 0.000 1.855 49 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 49 A C 2.409 179.946 177.584 -0.078 0.000 1.191 49 A CA 1.659 53.668 52.037 -0.045 0.000 0.613 49 A CB -0.796 18.189 19.000 -0.023 0.000 0.829 49 A HN 0.301 nan 8.150 nan 0.000 0.442 50 A N -0.239 122.525 122.820 -0.094 0.000 1.892 50 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 50 A C 1.313 178.715 177.584 -0.303 0.000 1.188 50 A CA 1.536 53.488 52.037 -0.141 0.000 0.631 50 A CB -1.329 17.606 19.000 -0.108 0.000 0.822 50 A HN 0.467 nan 8.150 nan 0.000 0.447 51 V N -0.129 119.552 119.914 -0.389 0.000 2.963 51 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 51 V C 0.489 176.435 176.094 -0.246 0.000 1.077 51 V CA 0.114 62.117 62.300 -0.496 0.000 1.124 51 V CB 1.087 32.697 31.823 -0.355 0.000 0.987 51 V HN 0.354 nan 8.190 nan 0.000 0.487 52 T N 2.109 116.550 114.554 -0.189 0.000 2.807 52 T HA 0.386 4.736 4.350 -0.000 0.000 0.279 52 T C -0.572 174.094 174.700 -0.058 0.000 0.993 52 T CA -0.144 61.904 62.100 -0.088 0.000 0.970 52 T CB 0.626 69.467 68.868 -0.045 0.000 0.950 52 T HN 0.884 nan 8.240 nan 0.000 0.441 53 D N 2.210 122.582 120.400 -0.047 0.000 2.760 53 D HA -0.092 4.548 4.640 -0.000 0.000 0.244 53 D C -2.559 173.718 176.300 -0.038 0.000 1.123 53 D CA 0.075 54.054 54.000 -0.035 0.000 0.719 53 D CB -0.946 39.839 40.800 -0.025 0.000 1.045 53 D HN 0.337 nan 8.370 nan 0.000 0.426 54 P HA 0.228 nan 4.420 nan 0.000 0.271 54 P C -0.312 176.970 177.300 -0.031 0.000 1.216 54 P CA -0.460 62.615 63.100 -0.041 0.000 0.776 54 P CB 0.970 32.644 31.700 -0.044 0.000 0.881 55 V N 3.653 123.550 119.914 -0.028 0.000 2.376 55 V HA 0.227 4.347 4.120 -0.000 0.000 0.287 55 V C 0.345 176.430 176.094 -0.014 0.000 1.015 55 V CA -0.944 61.343 62.300 -0.022 0.000 0.834 55 V CB 1.375 33.184 31.823 -0.023 0.000 1.001 55 V HN 0.435 nan 8.190 nan 0.000 0.428 56 K N 3.416 123.809 120.400 -0.012 0.000 2.436 56 K HA 0.093 4.413 4.320 -0.000 0.000 0.282 56 K C 0.667 177.268 176.600 0.002 0.000 1.044 56 K CA 0.278 56.561 56.287 -0.006 0.000 1.028 56 K CB 0.554 33.043 32.500 -0.019 0.000 0.919 56 K HN 1.027 nan 8.250 nan 0.000 0.474 57 C N 3.366 122.683 119.300 0.029 0.000 3.657 57 C HA 0.551 5.010 4.460 -0.000 0.000 0.291 57 C C -0.253 174.832 174.990 0.159 0.000 1.572 57 C CA -0.868 58.186 59.018 0.061 0.000 1.818 57 C CB -1.021 26.748 27.740 0.047 0.000 2.903 57 C HN 0.673 nan 8.230 nan 0.000 0.632 58 F N 0.463 120.343 119.950 -0.118 0.000 2.793 58 F HA 0.514 5.041 4.527 0.000 0.000 0.316 58 F C -1.745 173.910 175.800 -0.241 0.000 1.147 58 F CA -0.261 57.613 58.000 -0.210 0.000 0.930 58 F CB 0.790 39.605 39.000 -0.308 0.000 1.277 58 F HN 0.107 nan 8.300 nan 0.000 0.443 59 E N 3.229 122.893 120.200 -0.892 0.000 2.278 59 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 59 E C -1.893 174.362 176.600 -0.576 0.000 0.890 59 E CA -0.486 55.617 56.400 -0.494 0.000 0.770 59 E CB 1.506 31.008 29.700 -0.330 0.000 1.212 59 E HN 0.422 nan 8.360 nan 0.000 0.415 60 F N 2.315 122.273 119.950 0.013 0.000 2.404 60 F HA 0.111 4.638 4.527 -0.000 0.000 0.358 60 F C 1.987 177.780 175.800 -0.011 0.000 1.120 60 F CA -0.167 57.880 58.000 0.078 0.000 1.144 60 F CB 1.454 40.536 39.000 0.137 0.000 1.133 60 F HN 0.448 nan 8.300 nan 0.000 0.495 61 T N -2.044 112.583 114.554 0.122 0.000 2.904 61 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 61 T C 0.271 175.007 174.700 0.060 0.000 1.059 61 T CA 1.036 63.163 62.100 0.046 0.000 1.137 61 T CB -0.115 68.757 68.868 0.007 0.000 0.879 61 T HN 0.415 nan 8.240 nan 0.000 0.467 62 D N -0.141 120.317 120.400 0.096 0.000 2.476 62 D HA 0.418 5.058 4.640 -0.000 0.000 0.251 62 D C -1.726 174.594 176.300 0.033 0.000 1.291 62 D CA -0.632 53.398 54.000 0.050 0.000 0.939 62 D CB 1.152 41.971 40.800 0.031 0.000 1.221 62 D HN 0.109 nan 8.370 nan 0.000 0.567 63 L N 5.866 127.094 121.223 0.008 0.000 2.445 63 L HA 0.460 4.800 4.340 -0.000 0.000 0.252 63 L C 0.059 176.923 176.870 -0.010 0.000 1.105 63 L CA -0.320 54.486 54.840 -0.057 0.000 0.943 63 L CB 0.172 42.193 42.059 -0.062 0.000 1.277 63 L HN 0.729 nan 8.230 nan 0.000 0.465 64 L N 3.459 124.657 121.223 -0.041 0.000 3.717 64 L HA -0.262 4.078 4.340 -0.000 0.000 0.411 64 L C 1.003 177.891 176.870 0.029 0.000 1.233 64 L CA 0.670 55.509 54.840 -0.001 0.000 0.917 64 L CB -1.978 40.076 42.059 -0.008 0.000 1.902 64 L HN 0.919 nan 8.230 nan 0.000 0.894 65 G N -0.875 107.930 108.800 0.007 0.000 2.171 65 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.238 65 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.238 65 G C -0.123 174.748 174.900 -0.048 0.000 1.039 65 G CA 0.320 45.414 45.100 -0.011 0.000 0.759 65 G HN 0.375 nan 8.290 nan 0.000 0.501 66 E N -0.703 119.470 120.200 -0.045 0.000 2.343 66 E HA 0.494 4.844 4.350 -0.000 0.000 0.278 66 E C -0.206 176.355 176.600 -0.066 0.000 0.910 66 E CA -0.900 55.423 56.400 -0.128 0.000 0.757 66 E CB 1.475 30.981 29.700 -0.324 0.000 1.218 66 E HN 0.182 nan 8.360 nan 0.000 0.435 67 K N 0.646 120.992 120.400 -0.090 0.000 2.154 67 K HA 0.752 5.072 4.320 -0.000 0.000 0.264 67 K C -0.568 176.027 176.600 -0.009 0.000 1.008 67 K CA -0.366 55.904 56.287 -0.030 0.000 0.937 67 K CB 1.180 33.648 32.500 -0.054 0.000 1.002 67 K HN 0.523 nan 8.250 nan 0.000 0.469 68 A N 2.076 124.949 122.820 0.089 0.000 2.532 68 A HA 0.364 4.684 4.320 -0.000 0.000 0.296 68 A C -1.572 176.123 177.584 0.186 0.000 1.058 68 A CA -1.011 51.113 52.037 0.145 0.000 0.729 68 A CB 0.876 20.012 19.000 0.227 0.000 1.285 68 A HN 0.623 nan 8.150 nan 0.000 0.396 69 D N 0.833 121.303 120.400 0.116 0.000 2.294 69 D HA 0.481 5.121 4.640 -0.000 0.000 0.250 69 D C -0.846 175.545 176.300 0.152 0.000 1.058 69 D CA -0.107 53.941 54.000 0.081 0.000 0.950 69 D CB 2.194 43.009 40.800 0.026 0.000 1.158 69 D HN 0.345 nan 8.370 nan 0.000 0.453 70 L N 1.963 123.265 121.223 0.131 0.000 2.366 70 L HA 0.277 4.617 4.340 -0.000 0.000 0.266 70 L C -1.008 175.909 176.870 0.078 0.000 1.010 70 L CA -0.562 54.371 54.840 0.155 0.000 0.879 70 L CB 0.543 42.725 42.059 0.205 0.000 1.228 70 L HN 0.231 nan 8.230 nan 0.000 0.439 71 L N 2.490 123.741 121.223 0.047 0.000 2.326 71 L HA 0.651 4.991 4.340 -0.000 0.000 0.278 71 L C 0.028 176.891 176.870 -0.011 0.000 1.092 71 L CA -0.560 54.286 54.840 0.010 0.000 0.810 71 L CB 0.740 42.797 42.059 -0.004 0.000 1.153 71 L HN 0.648 nan 8.230 nan 0.000 0.439 72 E N 2.525 122.708 120.200 -0.029 0.000 2.158 72 E HA 0.733 5.083 4.350 -0.000 0.000 0.271 72 E C -1.248 175.316 176.600 -0.059 0.000 0.911 72 E CA -0.910 55.453 56.400 -0.061 0.000 0.767 72 E CB 2.176 31.826 29.700 -0.083 0.000 1.120 72 E HN 0.430 nan 8.360 nan 0.000 0.405 73 V N 1.633 121.508 119.914 -0.064 0.000 3.012 73 V HA 0.252 4.372 4.120 -0.000 0.000 0.307 73 V C -0.708 175.365 176.094 -0.036 0.000 1.166 73 V CA -1.109 61.162 62.300 -0.048 0.000 0.974 73 V CB 1.929 33.722 31.823 -0.049 0.000 1.040 73 V HN 0.719 nan 8.190 nan 0.000 0.428 74 Q N 2.449 122.238 119.800 -0.018 0.000 2.331 74 Q HA 0.387 4.727 4.340 -0.000 0.000 0.257 74 Q C -1.477 174.565 176.000 0.071 0.000 0.957 74 Q CA -0.257 55.546 55.803 -0.000 0.000 0.923 74 Q CB 0.966 29.694 28.738 -0.016 0.000 1.212 74 Q HN 0.856 nan 8.270 nan 0.000 0.443 75 H N 3.401 122.436 119.070 -0.058 0.000 2.887 75 H HA 0.193 4.749 4.556 -0.000 0.000 0.300 75 H C -0.808 174.487 175.328 -0.055 0.000 1.038 75 H CA -0.248 55.767 56.048 -0.056 0.000 1.352 75 H CB 0.192 29.916 29.762 -0.062 0.000 1.473 75 H HN 0.749 nan 8.280 nan 0.000 0.503 76 E N 3.917 124.003 120.200 -0.190 0.000 2.246 76 E HA -0.312 4.038 4.350 -0.000 0.000 0.211 76 E C 0.266 176.775 176.600 -0.153 0.000 1.278 76 E CA 0.728 56.985 56.400 -0.238 0.000 0.694 76 E CB -0.603 28.827 29.700 -0.450 0.000 1.166 76 E HN 0.925 nan 8.360 nan 0.000 0.370 77 R N -2.294 118.156 120.500 -0.083 0.000 3.785 77 R HA -0.226 4.114 4.340 -0.000 0.000 0.476 77 R C -0.053 176.213 176.300 -0.057 0.000 0.905 77 R CA 1.543 57.609 56.100 -0.057 0.000 1.412 77 R CB -1.088 29.183 30.300 -0.049 0.000 2.077 77 R HN 0.331 nan 8.270 nan 0.000 0.504 78 L N 1.932 123.112 121.223 -0.070 0.000 2.257 78 L HA 0.240 4.580 4.340 -0.000 0.000 0.290 78 L C 0.177 177.024 176.870 -0.039 0.000 1.044 78 L CA -0.545 54.262 54.840 -0.055 0.000 0.810 78 L CB 1.014 43.037 42.059 -0.060 0.000 1.193 78 L HN -0.049 nan 8.230 nan 0.000 0.425 79 D N 5.391 125.756 120.400 -0.059 0.000 2.374 79 D HA 0.325 4.965 4.640 -0.000 0.000 0.240 79 D C -0.519 175.719 176.300 -0.105 0.000 1.229 79 D CA 0.037 53.981 54.000 -0.092 0.000 0.895 79 D CB 0.434 41.160 40.800 -0.124 0.000 1.046 79 D HN 0.272 nan 8.370 nan 0.000 0.498 80 L N 3.028 124.200 121.223 -0.085 0.000 2.334 80 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 80 L C 0.038 176.846 176.870 -0.103 0.000 1.018 80 L CA -1.075 53.717 54.840 -0.080 0.000 0.811 80 L CB 1.697 43.733 42.059 -0.039 0.000 1.271 80 L HN 0.186 nan 8.230 nan 0.000 0.443 81 L N 3.365 124.537 121.223 -0.086 0.000 2.454 81 L HA 0.468 4.808 4.340 -0.000 0.000 0.258 81 L C -0.518 176.334 176.870 -0.030 0.000 1.025 81 L CA -0.190 54.613 54.840 -0.063 0.000 0.901 81 L CB 1.413 43.435 42.059 -0.061 0.000 1.210 81 L HN 0.480 nan 8.230 nan 0.000 0.457 82 I N 2.899 123.453 120.570 -0.027 0.000 2.519 82 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 82 I C -0.192 175.941 176.117 0.026 0.000 1.047 82 I CA -0.450 60.831 61.300 -0.031 0.000 1.381 82 I CB 1.623 39.597 38.000 -0.043 0.000 1.417 82 I HN 0.348 nan 8.210 nan 0.000 0.540 83 L N 6.194 127.433 121.223 0.026 0.000 2.297 83 L HA 0.313 4.653 4.340 -0.000 0.000 0.277 83 L C -0.273 176.707 176.870 0.184 0.000 1.040 83 L CA -0.048 54.874 54.840 0.137 0.000 0.867 83 L CB 0.431 42.581 42.059 0.151 0.000 1.244 83 L HN 0.414 nan 8.230 nan 0.000 0.433 84 D N 4.836 125.326 120.400 0.150 0.000 2.470 84 D HA 0.311 4.951 4.640 -0.000 0.000 0.226 84 D C -0.415 175.945 176.300 0.101 0.000 1.196 84 D CA 0.206 54.278 54.000 0.120 0.000 0.979 84 D CB 0.802 41.640 40.800 0.064 0.000 1.059 84 D HN 0.583 nan 8.370 nan 0.000 0.515 85 A N 4.593 127.474 122.820 0.101 0.000 2.786 85 A HA 0.434 4.754 4.320 -0.000 0.000 0.346 85 A C -1.620 175.830 177.584 -0.223 0.000 1.265 85 A CA -1.189 50.793 52.037 -0.092 0.000 0.858 85 A CB 0.975 19.910 19.000 -0.108 0.000 1.118 85 A HN 0.216 nan 8.150 nan 0.000 0.482 86 P HA -0.255 nan 4.420 nan 0.000 0.217 86 P C 1.677 178.831 177.300 -0.244 0.000 1.148 86 P CA 2.135 65.152 63.100 -0.137 0.000 0.834 86 P CB 0.311 31.948 31.700 -0.106 0.000 0.783 87 A N -2.464 120.119 122.820 -0.395 0.000 2.067 87 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 87 A C 1.587 178.814 177.584 -0.594 0.000 1.158 87 A CA 1.337 53.069 52.037 -0.508 0.000 0.661 87 A CB -1.284 17.324 19.000 -0.652 0.000 0.801 87 A HN 0.165 nan 8.150 nan 0.000 0.452 88 Y N -3.010 116.971 120.300 -0.531 0.000 2.464 88 Y HA 0.144 4.694 4.550 -0.000 0.000 0.288 88 Y C 1.593 177.154 175.900 -0.565 0.000 1.133 88 Y CA 0.441 58.093 58.100 -0.748 0.000 1.223 88 Y CB -0.172 37.492 38.460 -1.327 0.000 1.187 88 Y HN 0.353 nan 8.280 nan 0.000 0.539 89 Y N -0.599 119.709 120.300 0.013 0.000 2.442 89 Y HA 0.349 4.899 4.550 -0.000 0.000 0.250 89 Y C 1.324 177.248 175.900 0.041 0.000 1.113 89 Y CA -0.311 57.819 58.100 0.050 0.000 1.273 89 Y CB -0.748 37.741 38.460 0.049 0.000 1.138 89 Y HN 0.044 nan 8.280 nan 0.000 0.522 90 E N 2.132 122.378 120.200 0.077 0.000 1.802 90 E HA 0.346 4.696 4.350 -0.000 0.000 0.265 90 E C 0.824 177.426 176.600 0.004 0.000 1.168 90 E CA -0.187 56.238 56.400 0.042 0.000 1.033 90 E CB -0.656 29.041 29.700 -0.004 0.000 1.095 90 E HN 0.495 nan 8.360 nan 0.000 0.436 91 R N -0.198 120.318 120.500 0.027 0.000 2.507 91 R HA 0.216 4.556 4.340 -0.000 0.000 0.230 91 R C -0.025 176.313 176.300 0.063 0.000 0.897 91 R CA 0.324 56.430 56.100 0.010 0.000 1.006 91 R CB 0.626 30.879 30.300 -0.079 0.000 1.341 91 R HN 0.392 nan 8.270 nan 0.000 0.604 92 S N 0.454 116.194 115.700 0.066 0.000 3.551 92 S HA -0.069 4.401 4.470 -0.000 0.000 0.547 92 S C -0.178 174.474 174.600 0.087 0.000 0.699 92 S CA 0.667 58.902 58.200 0.058 0.000 1.399 92 S CB -0.823 62.401 63.200 0.042 0.000 0.922 92 S HN 0.817 nan 8.310 nan 0.000 0.818 93 G N 0.720 109.571 108.800 0.085 0.000 2.328 93 G HA2 0.632 4.592 3.960 -0.000 0.000 0.295 93 G HA3 0.632 4.592 3.960 -0.000 0.000 0.295 93 G C -0.074 174.845 174.900 0.032 0.000 1.413 93 G CA 0.156 45.310 45.100 0.090 0.000 0.817 93 G HN 1.080 nan 8.290 nan 0.000 0.546 94 G N -0.466 108.317 108.800 -0.027 0.000 2.720 94 G HA2 0.394 4.354 3.960 -0.000 0.000 0.237 94 G HA3 0.394 4.354 3.960 -0.000 0.000 0.237 94 G C -0.912 173.893 174.900 -0.158 0.000 1.239 94 G CA -0.003 45.022 45.100 -0.125 0.000 0.847 94 G HN 0.424 nan 8.290 nan 0.000 0.593 95 P HA -0.035 nan 4.420 nan 0.000 0.222 95 P C 0.297 177.523 177.300 -0.123 0.000 1.147 95 P CA 1.307 63.983 63.100 -0.706 0.000 0.790 95 P CB 0.072 30.963 31.700 -1.349 0.000 0.780 96 Y N -3.039 117.409 120.300 0.248 0.000 2.512 96 Y HA 0.234 4.783 4.550 -0.000 0.000 0.268 96 Y C 0.926 176.802 175.900 -0.039 0.000 1.102 96 Y CA -0.639 57.656 58.100 0.325 0.000 1.261 96 Y CB -0.158 38.451 38.460 0.248 0.000 1.250 96 Y HN -0.265 nan 8.280 nan 0.000 0.506 97 L N 0.545 121.709 121.223 -0.099 0.000 2.322 97 L HA 0.615 4.955 4.340 -0.000 0.000 0.279 97 L C 0.907 177.410 176.870 -0.611 0.000 1.036 97 L CA -0.500 54.141 54.840 -0.332 0.000 0.807 97 L CB 0.834 42.820 42.059 -0.121 0.000 1.226 97 L HN 0.211 nan 8.230 nan 0.000 0.433 98 G N 0.732 109.151 108.800 -0.635 0.000 2.653 98 G HA2 0.138 4.098 3.960 -0.000 0.000 0.265 98 G HA3 0.138 4.098 3.960 -0.000 0.000 0.265 98 G C 0.513 175.352 174.900 -0.101 0.000 1.237 98 G CA -0.168 44.707 45.100 -0.375 0.000 0.946 98 G HN 0.674 nan 8.290 nan 0.000 0.522 99 Q N -1.139 118.669 119.800 0.013 0.000 2.439 99 Q HA -0.071 4.269 4.340 -0.000 0.000 0.211 99 Q C 2.586 178.586 176.000 0.001 0.000 0.978 99 Q CA 1.971 57.787 55.803 0.022 0.000 0.897 99 Q CB -0.127 28.639 28.738 0.048 0.000 0.956 99 Q HN 0.695 nan 8.270 nan 0.000 0.483 100 T N -5.906 108.640 114.554 -0.013 0.000 3.057 100 T HA 0.300 4.650 4.350 -0.000 0.000 0.254 100 T C 1.295 175.981 174.700 -0.024 0.000 1.094 100 T CA 0.562 62.656 62.100 -0.011 0.000 1.088 100 T CB 0.461 69.328 68.868 -0.001 0.000 0.934 100 T HN 0.309 nan 8.240 nan 0.000 0.497 101 G N 0.308 109.078 108.800 -0.050 0.000 2.154 101 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.186 101 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.186 101 G C -0.203 174.661 174.900 -0.059 0.000 1.000 101 G CA -0.059 45.012 45.100 -0.048 0.000 0.664 101 G HN 0.708 nan 8.290 nan 0.000 0.513 102 K N 0.421 120.769 120.400 -0.087 0.000 2.352 102 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 102 K C -0.643 175.880 176.600 -0.129 0.000 1.017 102 K CA -0.892 55.351 56.287 -0.074 0.000 0.851 102 K CB 0.870 33.350 32.500 -0.033 0.000 1.261 102 K HN -0.003 nan 8.250 nan 0.000 0.451 103 D N 1.520 121.888 120.400 -0.053 0.000 2.458 103 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 103 D C -0.374 175.956 176.300 0.050 0.000 1.146 103 D CA 0.439 54.443 54.000 0.006 0.000 0.877 103 D CB 0.077 40.929 40.800 0.087 0.000 1.176 103 D HN 0.232 nan 8.370 nan 0.000 0.461 104 Y N 2.367 122.785 120.300 0.197 0.000 2.620 104 Y HA 0.074 4.624 4.550 -0.000 0.000 0.330 104 Y C -1.012 175.011 175.900 0.204 0.000 1.186 104 Y CA -1.661 56.541 58.100 0.169 0.000 1.467 104 Y CB -0.017 38.536 38.460 0.156 0.000 1.262 104 Y HN 0.354 nan 8.280 nan 0.000 0.550 105 P HA -0.098 nan 4.420 nan 0.000 0.234 105 P C 0.718 178.222 177.300 0.340 0.000 1.167 105 P CA 1.155 64.455 63.100 0.333 0.000 0.763 105 P CB 0.366 32.222 31.700 0.260 0.000 0.835 106 D N -1.453 119.062 120.400 0.193 0.000 2.348 106 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 106 D C 1.551 177.725 176.300 -0.210 0.000 0.998 106 D CA 0.303 54.235 54.000 -0.112 0.000 0.873 106 D CB -0.496 40.258 40.800 -0.077 0.000 0.925 106 D HN -0.121 nan 8.370 nan 0.000 0.524 107 N N 0.918 119.734 118.700 0.193 0.000 2.069 107 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 107 N C 1.822 177.493 175.510 0.268 0.000 1.024 107 N CA 1.326 54.616 53.050 0.400 0.000 0.869 107 N CB -0.550 38.430 38.487 0.822 0.000 1.035 107 N HN 0.534 nan 8.380 nan 0.000 0.434 108 W N 1.134 122.399 121.300 -0.057 0.000 2.338 108 W HA -0.087 4.573 4.660 -0.000 0.000 0.304 108 W C 1.674 178.214 176.519 0.035 0.000 1.212 108 W CA 0.757 57.810 57.345 -0.487 0.000 1.264 108 W CB -0.937 27.678 29.460 -1.410 0.000 1.142 108 W HN 0.083 nan 8.180 nan 0.000 0.512 109 K N 0.758 120.532 120.400 -1.043 0.000 2.186 109 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 109 K C 2.463 178.606 176.600 -0.762 0.000 1.052 109 K CA 0.772 56.472 56.287 -0.977 0.000 0.965 109 K CB -0.047 31.597 32.500 -1.427 0.000 0.746 109 K HN -0.013 nan 8.250 nan 0.000 0.457 110 R N -0.444 119.624 120.500 -0.719 0.000 2.083 110 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 110 R C 1.877 177.755 176.300 -0.703 0.000 1.137 110 R CA 1.727 57.308 56.100 -0.865 0.000 0.951 110 R CB -0.269 29.597 30.300 -0.722 0.000 0.851 110 R HN 0.163 nan 8.270 nan 0.000 0.434 111 F N -0.240 119.731 119.950 0.034 0.000 2.698 111 F HA 0.253 4.780 4.527 0.000 0.000 0.295 111 F C 2.283 178.126 175.800 0.072 0.000 1.124 111 F CA 0.241 58.286 58.000 0.076 0.000 1.426 111 F CB -0.416 38.628 39.000 0.073 0.000 1.120 111 F HN 0.006 nan 8.300 nan 0.000 0.583 112 A N 0.452 123.405 122.820 0.222 0.000 1.898 112 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 112 A C 2.462 180.009 177.584 -0.062 0.000 1.181 112 A CA 1.711 53.818 52.037 0.117 0.000 0.620 112 A CB -1.150 17.963 19.000 0.188 0.000 0.819 112 A HN 0.266 nan 8.150 nan 0.000 0.442 113 A N -0.348 122.314 122.820 -0.265 0.000 1.902 113 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 113 A C 2.145 179.578 177.584 -0.251 0.000 1.181 113 A CA 1.713 53.522 52.037 -0.380 0.000 0.623 113 A CB -0.667 17.877 19.000 -0.761 0.000 0.818 113 A HN 0.791 nan 8.150 nan 0.000 0.443 114 L N -0.020 121.133 121.223 -0.117 0.000 2.079 114 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 114 L C 2.411 179.261 176.870 -0.032 0.000 1.081 114 L CA 2.627 57.458 54.840 -0.014 0.000 0.752 114 L CB -0.473 41.655 42.059 0.115 0.000 0.896 114 L HN 0.279 nan 8.230 nan 0.000 0.433 115 S N -0.474 115.231 115.700 0.008 0.000 2.371 115 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 115 S C 1.775 176.354 174.600 -0.035 0.000 1.029 115 S CA 1.288 59.520 58.200 0.053 0.000 0.978 115 S CB -0.582 62.716 63.200 0.163 0.000 0.833 115 S HN 0.477 nan 8.310 nan 0.000 0.466 116 L N 2.390 123.447 121.223 -0.276 0.000 2.012 116 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 116 L C 2.363 178.998 176.870 -0.391 0.000 1.073 116 L CA 2.043 56.523 54.840 -0.600 0.000 0.748 116 L CB -1.170 40.330 42.059 -0.933 0.000 0.891 116 L HN 0.241 nan 8.230 nan 0.000 0.431 117 A N -0.320 122.234 122.820 -0.442 0.000 1.892 117 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 117 A C 2.480 179.948 177.584 -0.193 0.000 1.188 117 A CA 2.302 53.994 52.037 -0.575 0.000 0.631 117 A CB -1.352 17.254 19.000 -0.657 0.000 0.822 117 A HN 0.649 nan 8.150 nan 0.000 0.447 118 A N -0.285 122.477 122.820 -0.097 0.000 1.902 118 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 118 A C 2.507 180.095 177.584 0.008 0.000 1.181 118 A CA 2.192 54.228 52.037 -0.001 0.000 0.623 118 A CB -1.029 17.981 19.000 0.017 0.000 0.818 118 A HN 1.155 nan 8.150 nan 0.000 0.443 119 A N -0.436 122.380 122.820 -0.008 0.000 1.933 119 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 119 A C 2.262 179.853 177.584 0.012 0.000 1.175 119 A CA 1.587 53.638 52.037 0.023 0.000 0.628 119 A CB -0.395 18.649 19.000 0.072 0.000 0.814 119 A HN 0.569 nan 8.150 nan 0.000 0.444 120 R N -0.642 119.857 120.500 -0.002 0.000 2.062 120 R HA 0.103 4.443 4.340 -0.000 0.000 0.226 120 R C 2.000 178.324 176.300 0.040 0.000 1.125 120 R CA 1.293 57.420 56.100 0.045 0.000 0.966 120 R CB -0.416 29.955 30.300 0.118 0.000 0.861 120 R HN 0.530 nan 8.270 nan 0.000 0.433 121 I N 0.288 120.893 120.570 0.059 0.000 2.248 121 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 121 I C 2.341 178.447 176.117 -0.019 0.000 1.107 121 I CA 1.598 62.915 61.300 0.029 0.000 1.373 121 I CB -0.596 37.471 38.000 0.112 0.000 1.055 121 I HN 0.361 nan 8.210 nan 0.000 0.418 122 G N 0.167 108.957 108.800 -0.016 0.000 2.484 122 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 122 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 122 G C 1.591 176.453 174.900 -0.064 0.000 1.130 122 G CA 0.612 45.678 45.100 -0.057 0.000 0.784 122 G HN 0.496 nan 8.290 nan 0.000 0.543 123 A N -0.374 122.425 122.820 -0.035 0.000 2.251 123 A HA 0.494 4.814 4.320 -0.000 0.000 0.209 123 A C 1.864 179.425 177.584 -0.038 0.000 1.187 123 A CA 1.151 53.173 52.037 -0.025 0.000 0.823 123 A CB -0.345 18.659 19.000 0.006 0.000 0.846 123 A HN 1.472 nan 8.150 nan 0.000 0.486 124 G N -1.755 107.005 108.800 -0.066 0.000 2.131 124 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 124 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 124 G C 0.828 175.690 174.900 -0.064 0.000 0.990 124 G CA 0.330 45.385 45.100 -0.075 0.000 0.671 124 G HN 0.578 nan 8.290 nan 0.000 0.521 125 V N 0.190 120.057 119.914 -0.078 0.000 2.594 125 V HA 0.036 4.156 4.120 -0.000 0.000 0.253 125 V C 1.771 177.702 176.094 -0.271 0.000 1.069 125 V CA 1.606 63.834 62.300 -0.120 0.000 1.082 125 V CB -0.182 31.574 31.823 -0.112 0.000 0.680 125 V HN 0.483 nan 8.190 nan 0.000 0.469 126 L N 1.653 122.714 121.223 -0.269 0.000 2.265 126 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 126 L C -2.320 174.533 176.870 -0.028 0.000 1.058 126 L CA -1.680 53.027 54.840 -0.222 0.000 0.809 126 L CB 1.133 43.120 42.059 -0.119 0.000 1.179 126 L HN 0.104 nan 8.230 nan 0.000 0.429 127 P HA 0.259 nan 4.420 nan 0.000 0.281 127 P C 0.660 178.006 177.300 0.078 0.000 1.252 127 P CA 0.152 63.285 63.100 0.056 0.000 0.778 127 P CB 1.411 33.156 31.700 0.075 0.000 0.895 128 G N 1.353 110.199 108.800 0.077 0.000 2.313 128 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 128 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 128 G C -0.796 174.223 174.900 0.199 0.000 1.023 128 G CA -0.392 44.775 45.100 0.113 0.000 0.626 128 G HN 0.528 nan 8.290 nan 0.000 0.503 129 W N 1.897 123.181 121.300 -0.027 0.000 3.042 129 W HA 0.805 5.465 4.660 -0.000 0.000 0.337 129 W C -0.462 176.033 176.519 -0.039 0.000 1.086 129 W CA -1.050 56.279 57.345 -0.028 0.000 1.236 129 W CB 1.201 30.645 29.460 -0.027 0.000 1.381 129 W HN 0.220 nan 8.180 nan 0.000 0.472 130 R N 7.103 127.146 120.500 -0.762 0.000 2.538 130 R HA 0.498 4.838 4.340 -0.000 0.000 0.292 130 R C -2.611 173.047 176.300 -1.070 0.000 1.008 130 R CA -1.754 53.899 56.100 -0.744 0.000 0.896 130 R CB 2.492 32.577 30.300 -0.359 0.000 1.187 130 R HN 0.216 nan 8.270 nan 0.000 0.440 131 P HA 0.130 nan 4.420 nan 0.000 0.278 131 P C -0.664 176.416 177.300 -0.367 0.000 1.238 131 P CA -0.256 62.416 63.100 -0.714 0.000 0.794 131 P CB 1.223 32.633 31.700 -0.482 0.000 0.955 132 D N 1.480 121.726 120.400 -0.258 0.000 2.277 132 D HA 0.040 4.680 4.640 -0.000 0.000 0.208 132 D C 1.062 177.275 176.300 -0.145 0.000 0.962 132 D CA 1.443 55.344 54.000 -0.165 0.000 0.865 132 D CB 0.222 40.955 40.800 -0.111 0.000 0.939 132 D HN 0.524 nan 8.370 nan 0.000 0.510 133 M N -1.530 117.972 119.600 -0.164 0.000 2.833 133 M HA 0.392 4.872 4.480 -0.000 0.000 0.270 133 M C -1.597 174.616 176.300 -0.144 0.000 1.209 133 M CA -1.088 54.120 55.300 -0.153 0.000 0.826 133 M CB 2.669 35.160 32.600 -0.181 0.000 1.657 133 M HN -0.264 nan 8.290 nan 0.000 0.492 134 V N -1.450 118.397 119.914 -0.112 0.000 2.628 134 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 134 V C -1.339 174.733 176.094 -0.038 0.000 1.045 134 V CA -0.283 61.985 62.300 -0.053 0.000 0.905 134 V CB 1.710 33.525 31.823 -0.014 0.000 0.997 134 V HN 1.042 nan 8.190 nan 0.000 0.436 135 H N 2.897 121.881 119.070 -0.144 0.000 2.762 135 H HA 0.773 5.329 4.556 -0.000 0.000 0.310 135 H C -0.213 174.997 175.328 -0.197 0.000 1.004 135 H CA -0.331 55.613 56.048 -0.174 0.000 1.267 135 H CB 1.402 31.060 29.762 -0.173 0.000 1.437 135 H HN 1.193 nan 8.280 nan 0.000 0.498 136 A N 4.984 127.819 122.820 0.025 0.000 2.306 136 A HA 0.330 4.650 4.320 -0.000 0.000 0.314 136 A C -0.873 176.584 177.584 -0.212 0.000 1.164 136 A CA -0.610 51.385 52.037 -0.070 0.000 0.822 136 A CB 0.622 19.641 19.000 0.031 0.000 1.130 136 A HN 0.813 nan 8.150 nan 0.000 0.496 137 H N 1.681 120.789 119.070 0.064 0.000 2.587 137 H HA 0.360 4.916 4.556 -0.000 0.000 0.325 137 H C -0.623 174.779 175.328 0.123 0.000 1.012 137 H CA 0.221 56.348 56.048 0.131 0.000 1.213 137 H CB 1.140 30.903 29.762 0.002 0.000 1.431 137 H HN 0.931 nan 8.280 nan 0.000 0.492 138 D N 0.672 121.279 120.400 0.345 0.000 10.448 138 D HA -0.240 4.400 4.640 -0.000 0.000 0.360 138 D C 1.495 177.913 176.300 0.197 0.000 3.024 138 D CA 1.022 55.191 54.000 0.282 0.000 2.424 138 D CB -0.183 40.752 40.800 0.225 0.000 1.149 138 D HN 0.776 nan 8.370 nan 0.000 1.024 139 W N 0.625 122.020 121.300 0.159 0.000 2.325 139 W HA -0.244 4.416 4.660 -0.000 0.000 0.299 139 W C 1.410 178.051 176.519 0.203 0.000 1.215 139 W CA 1.388 58.844 57.345 0.185 0.000 1.244 139 W CB -0.927 28.633 29.460 0.168 0.000 1.140 139 W HN 0.362 nan 8.180 nan 0.000 0.523 140 Q N 1.429 120.627 119.800 -1.004 0.000 2.234 140 Q HA -0.062 4.278 4.340 -0.000 0.000 0.206 140 Q C 2.452 178.315 176.000 -0.228 0.000 0.980 140 Q CA 2.914 58.067 55.803 -1.083 0.000 0.869 140 Q CB -0.671 27.176 28.738 -1.484 0.000 0.912 140 Q HN 0.444 nan 8.270 nan 0.000 0.436 141 A N -0.857 121.909 122.820 -0.090 0.000 2.431 141 A HA 0.522 4.842 4.320 -0.000 0.000 0.239 141 A C 1.831 179.469 177.584 0.089 0.000 1.230 141 A CA 0.444 52.499 52.037 0.031 0.000 0.928 141 A CB 0.001 19.014 19.000 0.021 0.000 1.006 141 A HN 0.250 nan 8.150 nan 0.000 0.520 142 A N -0.231 122.678 122.820 0.149 0.000 2.070 142 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 142 A C 1.863 179.506 177.584 0.097 0.000 1.159 142 A CA 1.441 53.574 52.037 0.159 0.000 0.656 142 A CB -0.465 18.683 19.000 0.247 0.000 0.800 142 A HN 0.397 nan 8.150 nan 0.000 0.453 143 M N -0.339 119.285 119.600 0.040 0.000 2.557 143 M HA -0.052 4.428 4.480 -0.000 0.000 0.259 143 M C 1.844 178.167 176.300 0.039 0.000 1.086 143 M CA 1.226 56.470 55.300 -0.092 0.000 1.096 143 M CB -1.570 30.848 32.600 -0.304 0.000 1.424 143 M HN 0.430 nan 8.290 nan 0.000 0.488 144 T N 1.588 116.200 114.554 0.097 0.000 2.652 144 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 144 T C -0.724 174.031 174.700 0.091 0.000 1.039 144 T CA 1.463 63.635 62.100 0.120 0.000 1.153 144 T CB -1.411 67.503 68.868 0.076 0.000 0.863 144 T HN 0.239 nan 8.240 nan 0.000 0.428 145 P HA 0.014 nan 4.420 nan 0.000 0.220 145 P C 1.556 178.863 177.300 0.013 0.000 1.148 145 P CA 0.527 63.642 63.100 0.026 0.000 0.803 145 P CB -0.244 31.470 31.700 0.022 0.000 0.782 146 V N -1.660 118.253 119.914 -0.002 0.000 2.323 146 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 146 V C 2.214 178.320 176.094 0.020 0.000 1.041 146 V CA 1.728 64.021 62.300 -0.012 0.000 1.025 146 V CB -1.483 30.262 31.823 -0.129 0.000 0.656 146 V HN -0.004 nan 8.190 nan 0.000 0.451 147 Y N -0.533 119.817 120.300 0.083 0.000 2.242 147 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 147 Y C 2.515 178.446 175.900 0.052 0.000 1.137 147 Y CA 1.348 59.491 58.100 0.071 0.000 1.181 147 Y CB -0.546 37.918 38.460 0.007 0.000 0.989 147 Y HN 0.155 nan 8.280 nan 0.000 0.527 148 M N -0.864 118.829 119.600 0.155 0.000 2.099 148 M HA -0.205 4.275 4.480 -0.000 0.000 0.262 148 M C 2.344 178.653 176.300 0.014 0.000 1.067 148 M CA 1.694 57.036 55.300 0.071 0.000 1.124 148 M CB -0.311 32.307 32.600 0.031 0.000 1.353 148 M HN 0.048 nan 8.290 nan 0.000 0.410 149 R N 0.563 121.027 120.500 -0.059 0.000 2.096 149 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 149 R C 1.486 177.621 176.300 -0.275 0.000 1.139 149 R CA 2.141 58.105 56.100 -0.227 0.000 0.952 149 R CB -0.974 29.079 30.300 -0.411 0.000 0.854 149 R HN 0.384 nan 8.270 nan 0.000 0.436 150 Y N 0.039 120.363 120.300 0.041 0.000 2.546 150 Y HA 0.405 4.955 4.550 -0.000 0.000 0.287 150 Y C 0.949 176.895 175.900 0.076 0.000 1.158 150 Y CA 0.174 58.304 58.100 0.051 0.000 1.307 150 Y CB -0.426 38.035 38.460 0.002 0.000 1.036 150 Y HN 0.153 nan 8.280 nan 0.000 0.532 151 A N 0.593 123.520 122.820 0.178 0.000 2.466 151 A HA -0.003 4.317 4.320 -0.000 0.000 0.238 151 A C 1.572 179.214 177.584 0.098 0.000 1.074 151 A CA 0.009 52.127 52.037 0.135 0.000 0.774 151 A CB 0.205 19.268 19.000 0.105 0.000 1.015 151 A HN 0.505 nan 8.150 nan 0.000 0.498 152 E N 0.650 120.902 120.200 0.088 0.000 2.038 152 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 152 E C 1.173 177.802 176.600 0.048 0.000 1.000 152 E CA 1.489 57.931 56.400 0.070 0.000 0.803 152 E CB -0.123 29.615 29.700 0.063 0.000 0.750 152 E HN 0.820 nan 8.360 nan 0.000 0.448 153 T N 1.986 116.564 114.554 0.040 0.000 2.916 153 T HA 0.098 4.448 4.350 -0.000 0.000 0.303 153 T C -2.308 172.401 174.700 0.014 0.000 1.025 153 T CA -1.763 60.351 62.100 0.023 0.000 1.142 153 T CB 0.885 69.764 68.868 0.018 0.000 0.947 153 T HN -0.017 nan 8.240 nan 0.000 0.544 154 P HA 0.091 nan 4.420 nan 0.000 0.266 154 P C 0.094 177.385 177.300 -0.014 0.000 1.195 154 P CA -0.173 62.923 63.100 -0.007 0.000 0.768 154 P CB 0.367 32.061 31.700 -0.010 0.000 0.838 155 E N 3.467 123.654 120.200 -0.022 0.000 2.398 155 E HA 0.199 4.549 4.350 -0.000 0.000 0.263 155 E C 0.270 176.851 176.600 -0.032 0.000 1.046 155 E CA -0.666 55.719 56.400 -0.025 0.000 0.908 155 E CB 0.496 30.176 29.700 -0.033 0.000 0.963 155 E HN 0.457 nan 8.360 nan 0.000 0.431 156 I N -1.946 118.601 120.570 -0.039 0.000 2.797 156 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 156 I C -2.394 173.693 176.117 -0.050 0.000 0.990 156 I CA -3.129 58.140 61.300 -0.052 0.000 1.228 156 I CB 0.833 38.790 38.000 -0.073 0.000 1.406 156 I HN 0.265 nan 8.210 nan 0.000 0.534 157 P HA 0.089 nan 4.420 nan 0.000 0.266 157 P C -1.026 176.237 177.300 -0.061 0.000 1.195 157 P CA 0.024 63.092 63.100 -0.052 0.000 0.768 157 P CB 0.643 32.310 31.700 -0.054 0.000 0.838 158 S N 2.512 118.184 115.700 -0.047 0.000 2.548 158 S HA 0.732 5.202 4.470 -0.000 0.000 0.286 158 S C -1.208 173.371 174.600 -0.036 0.000 1.098 158 S CA -0.832 57.343 58.200 -0.041 0.000 0.930 158 S CB 1.253 64.444 63.200 -0.015 0.000 1.070 158 S HN 0.298 nan 8.310 nan 0.000 0.480 159 L N 2.690 123.886 121.223 -0.044 0.000 2.381 159 L HA 0.807 5.147 4.340 -0.000 0.000 0.274 159 L C -1.602 175.293 176.870 0.040 0.000 0.988 159 L CA -0.864 53.950 54.840 -0.044 0.000 0.824 159 L CB 1.640 43.589 42.059 -0.183 0.000 1.263 159 L HN 0.870 nan 8.230 nan 0.000 0.410 160 L N 4.420 125.685 121.223 0.070 0.000 2.333 160 L HA 0.705 5.045 4.340 -0.000 0.000 0.280 160 L C -0.536 176.421 176.870 0.145 0.000 1.004 160 L CA 0.313 55.221 54.840 0.113 0.000 0.820 160 L CB 1.889 44.005 42.059 0.094 0.000 1.247 160 L HN 0.718 nan 8.230 nan 0.000 0.416 161 T N 6.404 121.073 114.554 0.191 0.000 2.795 161 T HA 0.574 4.924 4.350 -0.000 0.000 0.282 161 T C -0.023 174.771 174.700 0.158 0.000 0.980 161 T CA -0.032 62.186 62.100 0.197 0.000 1.012 161 T CB 0.626 69.685 68.868 0.318 0.000 0.936 161 T HN 0.448 nan 8.240 nan 0.000 0.457 162 I N 3.729 124.356 120.570 0.094 0.000 2.315 162 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 162 I C 1.211 177.377 176.117 0.082 0.000 1.006 162 I CA -0.538 60.850 61.300 0.147 0.000 1.265 162 I CB 0.928 39.013 38.000 0.140 0.000 1.387 162 I HN 0.777 nan 8.210 nan 0.000 0.475 163 H N 4.129 123.349 119.070 0.251 0.000 2.460 163 H HA 0.249 4.805 4.556 -0.000 0.000 0.297 163 H C 0.027 175.480 175.328 0.208 0.000 1.023 163 H CA 0.408 56.590 56.048 0.223 0.000 1.321 163 H CB 0.716 30.595 29.762 0.195 0.000 1.455 163 H HN 0.495 nan 8.280 nan 0.000 0.539 164 N N 1.674 120.577 118.700 0.338 0.000 2.804 164 N HA 0.051 4.791 4.740 -0.000 0.000 0.251 164 N C 0.725 176.300 175.510 0.109 0.000 1.250 164 N CA -0.023 53.132 53.050 0.174 0.000 0.820 164 N CB 1.688 40.288 38.487 0.188 0.000 1.156 164 N HN 0.139 nan 8.380 nan 0.000 0.512 165 I N 1.403 122.062 120.570 0.149 0.000 2.530 165 I HA -0.158 4.012 4.170 -0.000 0.000 0.257 165 I C 1.863 177.974 176.117 -0.010 0.000 1.179 165 I CA 1.046 62.410 61.300 0.107 0.000 1.440 165 I CB -0.424 37.672 38.000 0.160 0.000 1.087 165 I HN 0.325 nan 8.210 nan 0.000 0.440 166 A N -0.431 122.284 122.820 -0.176 0.000 2.206 166 A HA -0.032 4.287 4.320 -0.000 0.000 0.211 166 A C 0.335 177.828 177.584 -0.151 0.000 1.158 166 A CA 0.321 52.200 52.037 -0.263 0.000 0.761 166 A CB -0.423 18.310 19.000 -0.444 0.000 0.801 166 A HN 0.249 nan 8.150 nan 0.000 0.473 167 F N -0.002 119.939 119.950 -0.015 0.000 2.359 167 F HA 0.391 4.918 4.527 0.000 0.000 0.369 167 F C 0.808 176.466 175.800 -0.236 0.000 1.084 167 F CA -1.162 56.737 58.000 -0.168 0.000 1.096 167 F CB 1.005 39.997 39.000 -0.013 0.000 1.335 167 F HN 0.184 nan 8.300 nan 0.000 0.457 168 Q N 1.322 121.006 119.800 -0.193 0.000 2.247 168 Q HA 0.257 4.597 4.340 -0.000 0.000 0.211 168 Q C 1.292 177.140 176.000 -0.254 0.000 0.861 168 Q CA 0.098 55.810 55.803 -0.152 0.000 0.949 168 Q CB 0.933 29.567 28.738 -0.172 0.000 1.115 168 Q HN 0.904 nan 8.270 nan 0.000 0.507 169 G N 2.281 110.604 108.800 -0.796 0.000 2.350 169 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.298 169 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.298 169 G C -0.327 174.134 174.900 -0.732 0.000 1.037 169 G CA 0.276 44.830 45.100 -0.911 0.000 1.074 169 G HN 0.357 nan 8.290 nan 0.000 0.511 170 Q N -1.034 118.237 119.800 -0.881 0.000 2.267 170 Q HA 0.738 5.078 4.340 -0.000 0.000 0.255 170 Q C -0.231 175.229 176.000 -0.901 0.000 0.923 170 Q CA -0.261 55.213 55.803 -0.548 0.000 0.925 170 Q CB 0.526 29.098 28.738 -0.276 0.000 1.195 170 Q HN 0.342 nan 8.270 nan 0.000 0.417 171 F N -0.393 119.507 119.950 -0.084 0.000 2.685 171 F HA 0.469 4.996 4.527 -0.000 0.000 0.315 171 F C 0.496 176.280 175.800 -0.026 0.000 1.126 171 F CA -1.008 56.943 58.000 -0.083 0.000 0.950 171 F CB 1.150 40.061 39.000 -0.149 0.000 1.360 171 F HN 0.564 nan 8.300 nan 0.000 0.469 172 G N 0.065 108.952 108.800 0.145 0.000 2.441 172 G HA2 0.404 4.364 3.960 -0.000 0.000 0.243 172 G HA3 0.404 4.364 3.960 -0.000 0.000 0.243 172 G C 0.638 175.561 174.900 0.039 0.000 1.281 172 G CA 0.039 45.178 45.100 0.067 0.000 0.854 172 G HN 0.989 nan 8.290 nan 0.000 0.560 173 A N 2.216 125.068 122.820 0.053 0.000 2.225 173 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 173 A C 2.128 179.633 177.584 -0.131 0.000 1.164 173 A CA 1.301 53.320 52.037 -0.030 0.000 0.710 173 A CB -0.314 18.633 19.000 -0.088 0.000 0.780 173 A HN 0.778 nan 8.150 nan 0.000 0.473 174 N N 0.904 119.541 118.700 -0.106 0.000 2.550 174 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 174 N C 1.258 176.651 175.510 -0.195 0.000 1.110 174 N CA 1.350 54.327 53.050 -0.122 0.000 0.912 174 N CB -0.567 37.870 38.487 -0.084 0.000 0.968 174 N HN 0.793 nan 8.380 nan 0.000 0.448 175 I N -4.614 115.768 120.570 -0.313 0.000 3.883 175 I HA 0.233 4.403 4.170 -0.000 0.000 0.326 175 I C 1.705 177.630 176.117 -0.320 0.000 1.283 175 I CA -0.472 60.475 61.300 -0.588 0.000 1.161 175 I CB -0.309 36.904 38.000 -1.311 0.000 1.012 175 I HN -0.242 nan 8.210 nan 0.000 0.421 176 F N 3.001 122.790 119.950 -0.268 0.000 2.134 176 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 176 F C 2.650 178.384 175.800 -0.111 0.000 1.097 176 F CA 1.868 59.757 58.000 -0.184 0.000 1.264 176 F CB -0.241 38.558 39.000 -0.336 0.000 1.001 176 F HN 0.292 nan 8.300 nan 0.000 0.479 177 S N -0.676 114.943 115.700 -0.136 0.000 2.547 177 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 177 S C 1.432 175.960 174.600 -0.121 0.000 0.980 177 S CA 0.710 58.829 58.200 -0.134 0.000 0.941 177 S CB -0.659 62.527 63.200 -0.024 0.000 0.763 177 S HN 0.533 nan 8.310 nan 0.000 0.532 178 K N 0.343 120.688 120.400 -0.091 0.000 2.399 178 K HA 0.382 4.702 4.320 -0.000 0.000 0.204 178 K C 0.469 177.138 176.600 0.116 0.000 1.023 178 K CA -0.072 56.255 56.287 0.068 0.000 1.127 178 K CB 0.211 32.861 32.500 0.250 0.000 0.856 178 K HN 0.379 nan 8.250 nan 0.000 0.514 179 L N 0.404 121.584 121.223 -0.071 0.000 2.640 179 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 179 L C 0.553 177.445 176.870 0.036 0.000 1.123 179 L CA -0.135 54.712 54.840 0.012 0.000 0.900 179 L CB 0.148 42.136 42.059 -0.119 0.000 1.146 179 L HN 0.144 nan 8.230 nan 0.000 0.484 180 A N 0.744 123.536 122.820 -0.047 0.000 2.791 180 A HA -0.204 4.116 4.320 -0.000 0.000 0.292 180 A C -0.124 177.470 177.584 0.017 0.000 1.487 180 A CA 0.788 52.825 52.037 0.000 0.000 0.760 180 A CB -2.161 16.862 19.000 0.038 0.000 1.031 180 A HN 0.354 nan 8.150 nan 0.000 0.503 181 L N -0.759 120.354 121.223 -0.184 0.000 2.370 181 L HA 0.618 4.958 4.340 -0.000 0.000 0.266 181 L C -2.117 174.629 176.870 -0.206 0.000 1.002 181 L CA -2.543 52.157 54.840 -0.235 0.000 0.818 181 L CB 1.989 43.816 42.059 -0.387 0.000 1.325 181 L HN 0.127 nan 8.230 nan 0.000 0.418 182 P HA 0.124 nan 4.420 nan 0.000 0.271 182 P C 0.159 177.451 177.300 -0.013 0.000 1.218 182 P CA -0.270 62.752 63.100 -0.130 0.000 0.780 182 P CB 0.931 32.428 31.700 -0.338 0.000 0.901 183 A N 2.774 125.690 122.820 0.160 0.000 1.883 183 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 183 A C 1.860 179.500 177.584 0.093 0.000 1.186 183 A CA 1.800 53.974 52.037 0.228 0.000 0.624 183 A CB -1.734 17.376 19.000 0.184 0.000 0.822 183 A HN 0.812 nan 8.150 nan 0.000 0.444 184 H N -1.104 118.005 119.070 0.064 0.000 2.543 184 H HA 0.152 4.708 4.556 -0.000 0.000 0.286 184 H C 1.815 177.149 175.328 0.008 0.000 1.037 184 H CA 1.148 57.222 56.048 0.043 0.000 1.250 184 H CB -0.736 29.075 29.762 0.081 0.000 1.373 184 H HN 0.430 nan 8.280 nan 0.000 0.580 185 A N 1.115 123.716 122.820 -0.364 0.000 2.119 185 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 185 A C 0.966 178.499 177.584 -0.085 0.000 1.153 185 A CA -0.074 51.704 52.037 -0.432 0.000 0.692 185 A CB -0.789 17.672 19.000 -0.898 0.000 0.799 185 A HN 0.312 nan 8.150 nan 0.000 0.458 186 F N 1.021 120.760 119.950 -0.352 0.000 2.605 186 F HA 0.511 5.038 4.527 0.000 0.000 0.352 186 F C 0.651 176.312 175.800 -0.233 0.000 1.236 186 F CA 0.044 57.748 58.000 -0.492 0.000 1.267 186 F CB -0.392 37.901 39.000 -1.178 0.000 1.632 186 F HN 0.159 nan 8.300 nan 0.000 0.639 187 G N 3.022 111.622 108.800 -0.333 0.000 2.619 187 G HA2 0.208 4.168 3.960 -0.000 0.000 0.305 187 G HA3 0.208 4.168 3.960 -0.000 0.000 0.305 187 G C 0.255 175.048 174.900 -0.178 0.000 1.330 187 G CA -0.725 44.229 45.100 -0.243 0.000 0.789 187 G HN 0.070 nan 8.290 nan 0.000 0.487 188 M N -0.039 119.490 119.600 -0.120 0.000 2.084 188 M HA -0.058 4.422 4.480 -0.000 0.000 0.259 188 M C 2.176 178.466 176.300 -0.017 0.000 1.072 188 M CA 1.786 57.040 55.300 -0.077 0.000 1.107 188 M CB -1.548 31.016 32.600 -0.061 0.000 1.299 188 M HN 0.743 nan 8.290 nan 0.000 0.413 189 E N -0.062 120.150 120.200 0.019 0.000 2.393 189 E HA -0.056 4.294 4.350 -0.000 0.000 0.201 189 E C 1.421 178.081 176.600 0.100 0.000 1.025 189 E CA 0.886 57.324 56.400 0.062 0.000 0.856 189 E CB -0.251 29.506 29.700 0.094 0.000 0.771 189 E HN 0.636 nan 8.360 nan 0.000 0.526 190 G N 0.564 109.412 108.800 0.082 0.000 3.356 190 G HA2 0.318 4.278 3.960 -0.000 0.000 0.178 190 G HA3 0.318 4.278 3.960 -0.000 0.000 0.178 190 G C 0.597 175.536 174.900 0.066 0.000 1.175 190 G CA -0.224 44.950 45.100 0.125 0.000 0.840 190 G HN 0.210 nan 8.290 nan 0.000 0.658 191 I N -0.492 120.113 120.570 0.058 0.000 3.875 191 I HA 0.375 4.545 4.170 -0.000 0.000 0.329 191 I C 0.396 176.524 176.117 0.018 0.000 1.295 191 I CA 0.023 61.386 61.300 0.106 0.000 1.129 191 I CB 0.092 38.234 38.000 0.236 0.000 1.008 191 I HN 0.255 nan 8.210 nan 0.000 0.413 192 E N 1.870 121.904 120.200 -0.278 0.000 2.289 192 E HA 0.129 4.479 4.350 -0.000 0.000 0.278 192 E C -1.298 175.214 176.600 -0.146 0.000 1.032 192 E CA -0.238 55.842 56.400 -0.533 0.000 0.854 192 E CB 0.742 29.702 29.700 -1.233 0.000 1.046 192 E HN 0.355 nan 8.360 nan 0.000 0.409 193 Y N 5.657 125.862 120.300 -0.159 0.000 2.488 193 Y HA 0.231 4.781 4.550 -0.000 0.000 0.330 193 Y C -1.341 174.585 175.900 0.043 0.000 1.013 193 Y CA -1.265 56.789 58.100 -0.077 0.000 1.304 193 Y CB 0.116 38.607 38.460 0.052 0.000 1.098 193 Y HN 0.658 nan 8.280 nan 0.000 0.498 194 Y N 4.858 124.964 120.300 -0.323 0.000 3.125 194 Y HA -0.366 4.183 4.550 -0.000 0.000 0.200 194 Y C 1.336 177.175 175.900 -0.102 0.000 1.373 194 Y CA 1.075 59.018 58.100 -0.263 0.000 1.180 194 Y CB -1.477 36.754 38.460 -0.382 0.000 1.381 194 Y HN 0.880 nan 8.280 nan 0.000 0.501 195 N N -1.007 117.706 118.700 0.022 0.000 2.857 195 N HA -0.240 4.500 4.740 -0.000 0.000 0.242 195 N C -0.231 175.433 175.510 0.257 0.000 0.983 195 N CA 1.730 54.862 53.050 0.137 0.000 0.934 195 N CB -0.228 38.329 38.487 0.118 0.000 1.115 195 N HN 0.655 nan 8.380 nan 0.000 0.593 196 D N -0.528 120.007 120.400 0.223 0.000 2.437 196 D HA 0.468 5.108 4.640 -0.000 0.000 0.259 196 D C 0.126 176.645 176.300 0.366 0.000 1.118 196 D CA -0.368 53.793 54.000 0.268 0.000 1.017 196 D CB 1.356 42.287 40.800 0.217 0.000 1.120 196 D HN -0.123 nan 8.370 nan 0.000 0.541 197 V N 0.600 120.741 119.914 0.378 0.000 2.394 197 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 197 V C -0.079 176.236 176.094 0.369 0.000 1.031 197 V CA -0.373 62.198 62.300 0.451 0.000 0.881 197 V CB 1.392 33.520 31.823 0.508 0.000 0.982 197 V HN 0.504 nan 8.190 nan 0.000 0.451 198 S N 5.085 120.992 115.700 0.346 0.000 2.640 198 S HA 0.486 4.956 4.470 -0.000 0.000 0.320 198 S C 0.708 175.558 174.600 0.416 0.000 1.097 198 S CA -0.603 57.738 58.200 0.234 0.000 1.092 198 S CB 0.489 63.672 63.200 -0.028 0.000 0.988 198 S HN 0.541 nan 8.310 nan 0.000 0.470 199 F N 2.662 122.785 119.950 0.289 0.000 2.069 199 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 199 F C 2.099 178.033 175.800 0.224 0.000 1.113 199 F CA 0.602 58.796 58.000 0.323 0.000 1.214 199 F CB -0.128 39.193 39.000 0.535 0.000 0.978 199 F HN 0.530 nan 8.300 nan 0.000 0.474 200 L N 1.083 122.546 121.223 0.401 0.000 2.012 200 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 200 L C 2.420 179.370 176.870 0.132 0.000 1.073 200 L CA 1.795 56.788 54.840 0.254 0.000 0.748 200 L CB -0.881 41.291 42.059 0.188 0.000 0.891 200 L HN -0.063 nan 8.230 nan 0.000 0.431 201 K N -0.376 120.052 120.400 0.048 0.000 2.103 201 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 201 K C 1.925 178.571 176.600 0.076 0.000 1.048 201 K CA 1.505 57.793 56.287 0.001 0.000 0.930 201 K CB -0.707 31.735 32.500 -0.096 0.000 0.716 201 K HN 0.515 nan 8.250 nan 0.000 0.444 202 G N 0.085 108.964 108.800 0.132 0.000 2.433 202 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 202 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 202 G C 1.679 176.634 174.900 0.092 0.000 1.186 202 G CA 1.062 46.235 45.100 0.121 0.000 0.779 202 G HN 0.476 nan 8.290 nan 0.000 0.543 203 G N 0.858 109.720 108.800 0.102 0.000 2.418 203 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 203 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 203 G C 1.819 176.759 174.900 0.066 0.000 1.158 203 G CA 0.733 45.882 45.100 0.082 0.000 0.771 203 G HN 0.417 nan 8.290 nan 0.000 0.545 204 L N -0.332 120.933 121.223 0.070 0.000 2.127 204 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 204 L C 2.924 179.815 176.870 0.034 0.000 1.089 204 L CA 1.234 56.103 54.840 0.047 0.000 0.757 204 L CB -0.281 41.804 42.059 0.042 0.000 0.899 204 L HN 0.232 nan 8.230 nan 0.000 0.434 205 Q N -0.468 119.358 119.800 0.044 0.000 2.212 205 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 205 Q C 2.165 178.180 176.000 0.026 0.000 0.950 205 Q CA 1.862 57.688 55.803 0.039 0.000 0.863 205 Q CB 0.075 28.845 28.738 0.053 0.000 0.944 205 Q HN 0.581 nan 8.270 nan 0.000 0.465 206 T N -2.977 111.592 114.554 0.024 0.000 3.023 206 T HA 0.451 4.801 4.350 -0.000 0.000 0.249 206 T C 0.832 175.527 174.700 -0.009 0.000 1.050 206 T CA 0.148 62.247 62.100 -0.003 0.000 1.088 206 T CB -0.168 68.697 68.868 -0.007 0.000 0.946 206 T HN 0.205 nan 8.240 nan 0.000 0.480 207 A N 1.895 124.719 122.820 0.006 0.000 2.520 207 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 207 A C 1.636 179.213 177.584 -0.011 0.000 1.065 207 A CA 0.206 52.245 52.037 0.003 0.000 0.764 207 A CB -0.112 18.900 19.000 0.021 0.000 1.002 207 A HN 0.343 nan 8.150 nan 0.000 0.502 208 T N 1.124 115.669 114.554 -0.015 0.000 2.777 208 T HA 0.233 4.583 4.350 -0.000 0.000 0.266 208 T C 0.871 175.560 174.700 -0.019 0.000 1.040 208 T CA 1.676 63.764 62.100 -0.020 0.000 1.141 208 T CB -0.172 68.684 68.868 -0.020 0.000 0.868 208 T HN 1.196 nan 8.240 nan 0.000 0.444 209 A N 0.317 123.137 122.820 -0.001 0.000 2.498 209 A HA 0.767 5.087 4.320 -0.000 0.000 0.298 209 A C -1.407 176.205 177.584 0.047 0.000 1.075 209 A CA -0.858 51.200 52.037 0.035 0.000 0.714 209 A CB 1.234 20.281 19.000 0.078 0.000 1.299 209 A HN 0.297 nan 8.150 nan 0.000 0.407 210 L N 1.156 122.420 121.223 0.067 0.000 2.342 210 L HA 0.846 5.185 4.340 -0.000 0.000 0.271 210 L C 0.351 177.286 176.870 0.108 0.000 1.008 210 L CA -0.577 54.300 54.840 0.062 0.000 0.818 210 L CB 2.037 44.105 42.059 0.014 0.000 1.296 210 L HN 0.836 nan 8.230 nan 0.000 0.427 211 S N 0.588 116.352 115.700 0.108 0.000 2.671 211 S HA 0.832 5.302 4.470 -0.000 0.000 0.277 211 S C -0.888 173.769 174.600 0.096 0.000 1.165 211 S CA -0.332 57.941 58.200 0.121 0.000 0.822 211 S CB 2.478 65.775 63.200 0.162 0.000 1.150 211 S HN 0.764 nan 8.310 nan 0.000 0.479 212 T N -0.719 113.886 114.554 0.084 0.000 2.711 212 T HA 0.417 4.767 4.350 -0.000 0.000 0.302 212 T C 0.274 175.031 174.700 0.095 0.000 1.373 212 T CA 0.158 62.311 62.100 0.088 0.000 1.000 212 T CB 0.798 69.737 68.868 0.120 0.000 1.483 212 T HN 1.621 nan 8.240 nan 0.000 0.499 213 V N 1.172 121.151 119.914 0.109 0.000 3.636 213 V HA 0.515 4.635 4.120 -0.000 0.000 0.279 213 V C 0.320 176.413 176.094 -0.001 0.000 1.263 213 V CA 0.724 63.059 62.300 0.059 0.000 1.182 213 V CB -1.439 30.406 31.823 0.036 0.000 0.955 213 V HN 0.954 nan 8.190 nan 0.000 0.443 214 S N -2.860 112.853 115.700 0.021 0.000 2.565 214 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 214 S C -2.646 171.941 174.600 -0.021 0.000 1.144 214 S CA -0.556 57.624 58.200 -0.033 0.000 0.849 214 S CB 1.510 64.664 63.200 -0.076 0.000 1.103 214 S HN -0.010 nan 8.310 nan 0.000 0.455 215 P HA -0.066 nan 4.420 nan 0.000 0.215 215 P C 1.471 178.739 177.300 -0.054 0.000 1.157 215 P CA 1.685 64.752 63.100 -0.055 0.000 0.874 215 P CB -0.011 31.649 31.700 -0.065 0.000 0.790 216 S N -2.126 113.538 115.700 -0.059 0.000 2.383 216 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 216 S C 1.803 176.371 174.600 -0.054 0.000 1.026 216 S CA 0.767 58.925 58.200 -0.069 0.000 0.981 216 S CB -1.116 62.029 63.200 -0.092 0.000 0.818 216 S HN 0.143 nan 8.310 nan 0.000 0.472 217 Y N 2.350 122.537 120.300 -0.188 0.000 2.274 217 Y HA -0.032 4.518 4.550 -0.000 0.000 0.290 217 Y C 2.314 178.138 175.900 -0.126 0.000 1.145 217 Y CA 0.470 58.447 58.100 -0.205 0.000 1.203 217 Y CB -0.773 37.572 38.460 -0.192 0.000 0.984 217 Y HN 0.227 nan 8.280 nan 0.000 0.533 218 A N -0.158 122.589 122.820 -0.122 0.000 1.969 218 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 218 A C 2.092 179.583 177.584 -0.154 0.000 1.169 218 A CA 1.705 53.646 52.037 -0.160 0.000 0.635 218 A CB -0.510 18.435 19.000 -0.090 0.000 0.810 218 A HN 0.587 nan 8.150 nan 0.000 0.445 219 E N -0.220 119.909 120.200 -0.119 0.000 2.046 219 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 219 E C 1.974 178.521 176.600 -0.088 0.000 0.982 219 E CA 1.240 57.588 56.400 -0.087 0.000 0.800 219 E CB -0.187 29.476 29.700 -0.062 0.000 0.756 219 E HN 0.722 nan 8.360 nan 0.000 0.449 220 E N 0.980 121.094 120.200 -0.143 0.000 2.058 220 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 220 E C 2.219 178.825 176.600 0.010 0.000 0.997 220 E CA 1.430 57.768 56.400 -0.105 0.000 0.801 220 E CB -0.389 29.019 29.700 -0.487 0.000 0.746 220 E HN 0.446 nan 8.360 nan 0.000 0.450 221 I N -1.213 119.236 120.570 -0.202 0.000 3.241 221 I HA -0.106 4.064 4.170 -0.000 0.000 0.280 221 I C 1.504 177.602 176.117 -0.032 0.000 1.320 221 I CA 0.828 62.053 61.300 -0.124 0.000 1.413 221 I CB -0.190 37.619 38.000 -0.319 0.000 1.060 221 I HN 0.021 nan 8.210 nan 0.000 0.500 222 L N 1.398 122.607 121.223 -0.022 0.000 2.558 222 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 222 L C 1.186 178.081 176.870 0.042 0.000 1.128 222 L CA 0.241 55.084 54.840 0.005 0.000 0.868 222 L CB -0.459 41.594 42.059 -0.011 0.000 1.006 222 L HN 0.469 nan 8.230 nan 0.000 0.454 223 T N -4.475 110.128 114.554 0.082 0.000 2.944 223 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 223 T C 1.116 175.866 174.700 0.084 0.000 1.010 223 T CA -0.151 62.005 62.100 0.094 0.000 1.025 223 T CB 2.417 71.373 68.868 0.148 0.000 1.079 223 T HN 0.008 nan 8.240 nan 0.000 0.516 224 A N 0.890 123.737 122.820 0.045 0.000 2.015 224 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 224 A C 2.161 179.719 177.584 -0.043 0.000 1.163 224 A CA 1.037 53.082 52.037 0.013 0.000 0.646 224 A CB -0.696 18.305 19.000 0.002 0.000 0.806 224 A HN 0.913 nan 8.150 nan 0.000 0.448 225 E N -0.930 119.217 120.200 -0.089 0.000 2.268 225 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 225 E C 0.687 176.928 176.600 -0.598 0.000 0.995 225 E CA 0.936 57.132 56.400 -0.341 0.000 0.836 225 E CB -0.382 29.065 29.700 -0.422 0.000 0.763 225 E HN 0.725 nan 8.360 nan 0.000 0.491 226 F N -0.258 119.725 119.950 0.056 0.000 2.831 226 F HA 0.370 4.897 4.527 -0.000 0.000 0.334 226 F C 2.216 178.035 175.800 0.032 0.000 1.071 226 F CA 0.130 58.179 58.000 0.081 0.000 1.172 226 F CB 0.271 39.353 39.000 0.137 0.000 1.054 226 F HN 0.065 nan 8.300 nan 0.000 0.572 227 G N 0.106 108.991 108.800 0.142 0.000 2.534 227 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 227 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 227 G C 1.054 175.993 174.900 0.065 0.000 1.128 227 G CA 0.297 45.446 45.100 0.082 0.000 0.784 227 G HN 0.150 nan 8.290 nan 0.000 0.542 228 M N -0.629 118.998 119.600 0.045 0.000 2.360 228 M HA -0.221 4.259 4.480 -0.000 0.000 0.202 228 M C 1.552 177.891 176.300 0.066 0.000 0.390 228 M CA 1.099 56.414 55.300 0.025 0.000 0.470 228 M CB -2.220 30.385 32.600 0.008 0.000 1.637 228 M HN 1.143 nan 8.290 nan 0.000 0.885 229 G N -0.763 108.091 108.800 0.089 0.000 2.234 229 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 229 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 229 G C 0.581 175.635 174.900 0.257 0.000 0.987 229 G CA 0.428 45.636 45.100 0.180 0.000 0.625 229 G HN 0.536 nan 8.290 nan 0.000 0.532 230 L N 1.539 122.851 121.223 0.148 0.000 2.592 230 L HA 0.182 4.522 4.340 -0.000 0.000 0.227 230 L C 2.585 179.510 176.870 0.093 0.000 1.127 230 L CA 0.737 55.647 54.840 0.117 0.000 0.884 230 L CB -0.087 41.986 42.059 0.022 0.000 1.065 230 L HN 0.473 nan 8.230 nan 0.000 0.457 231 E N 0.565 120.818 120.200 0.087 0.000 2.153 231 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 231 E C 1.931 178.567 176.600 0.060 0.000 0.988 231 E CA 1.402 57.839 56.400 0.060 0.000 0.811 231 E CB -0.388 29.346 29.700 0.058 0.000 0.746 231 E HN 0.365 nan 8.360 nan 0.000 0.466 232 G N 1.832 110.682 108.800 0.082 0.000 2.404 232 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 232 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 232 G C 1.822 176.757 174.900 0.059 0.000 1.174 232 G CA 1.417 46.558 45.100 0.068 0.000 0.780 232 G HN 0.215 nan 8.290 nan 0.000 0.537 233 V N 1.360 121.320 119.914 0.076 0.000 2.237 233 V HA -0.184 3.935 4.120 -0.000 0.000 0.245 233 V C 2.794 178.914 176.094 0.043 0.000 1.046 233 V CA 1.791 64.127 62.300 0.061 0.000 1.007 233 V CB -0.587 31.279 31.823 0.072 0.000 0.638 233 V HN 0.375 nan 8.190 nan 0.000 0.445 234 I N 0.980 121.570 120.570 0.034 0.000 2.208 234 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 234 I C 2.619 178.746 176.117 0.015 0.000 1.097 234 I CA 1.817 63.125 61.300 0.013 0.000 1.363 234 I CB -1.015 36.984 38.000 -0.002 0.000 1.051 234 I HN 0.446 nan 8.210 nan 0.000 0.413 235 G N 0.288 109.102 108.800 0.024 0.000 2.485 235 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 235 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 235 G C 1.686 176.614 174.900 0.048 0.000 1.115 235 G CA 1.146 46.263 45.100 0.028 0.000 0.751 235 G HN 0.537 nan 8.290 nan 0.000 0.567 236 S N -0.692 115.041 115.700 0.054 0.000 2.603 236 S HA 0.184 4.653 4.470 -0.000 0.000 0.220 236 S C 1.592 176.282 174.600 0.149 0.000 0.967 236 S CA -0.018 58.227 58.200 0.075 0.000 0.920 236 S CB 0.149 63.382 63.200 0.054 0.000 0.773 236 S HN 0.307 nan 8.310 nan 0.000 0.529 237 R N -0.027 120.539 120.500 0.110 0.000 2.616 237 R HA 0.430 4.770 4.340 -0.000 0.000 0.427 237 R C 1.352 177.620 176.300 -0.053 0.000 1.030 237 R CA 0.532 56.656 56.100 0.040 0.000 1.133 237 R CB 0.121 30.396 30.300 -0.042 0.000 1.444 237 R HN 0.426 nan 8.270 nan 0.000 0.578 238 A N 1.482 124.353 122.820 0.084 0.000 2.019 238 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 238 A C 1.747 179.320 177.584 -0.017 0.000 1.164 238 A CA 1.311 53.355 52.037 0.011 0.000 0.644 238 A CB -0.641 18.377 19.000 0.030 0.000 0.805 238 A HN 0.446 nan 8.150 nan 0.000 0.449 239 H N -0.606 118.420 119.070 -0.072 0.000 2.559 239 H HA 0.066 4.622 4.556 -0.000 0.000 0.273 239 H C 1.045 176.312 175.328 -0.103 0.000 1.000 239 H CA 1.538 57.538 56.048 -0.079 0.000 1.195 239 H CB -0.932 28.803 29.762 -0.045 0.000 1.368 239 H HN 0.577 nan 8.280 nan 0.000 0.592 240 V N -1.833 117.813 119.914 -0.447 0.000 3.078 240 V HA 0.312 4.432 4.120 -0.000 0.000 0.344 240 V C 0.012 175.939 176.094 -0.278 0.000 1.409 240 V CA -0.766 61.342 62.300 -0.319 0.000 1.146 240 V CB -0.179 31.472 31.823 -0.285 0.000 1.126 240 V HN 0.077 nan 8.190 nan 0.000 0.513 241 L N 2.373 123.390 121.223 -0.342 0.000 2.292 241 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 241 L C -0.474 176.114 176.870 -0.469 0.000 1.065 241 L CA 0.177 54.861 54.840 -0.261 0.000 0.806 241 L CB 0.409 42.370 42.059 -0.163 0.000 1.175 241 L HN 0.365 nan 8.230 nan 0.000 0.431 242 H N 3.335 122.369 119.070 -0.060 0.000 2.637 242 H HA 0.622 5.178 4.556 -0.000 0.000 0.363 242 H C -0.478 174.807 175.328 -0.072 0.000 1.131 242 H CA -0.622 55.383 56.048 -0.072 0.000 1.183 242 H CB 2.104 31.815 29.762 -0.085 0.000 1.637 242 H HN 0.795 nan 8.280 nan 0.000 0.531 243 G N 2.266 111.083 108.800 0.028 0.000 2.487 243 G HA2 0.561 4.521 3.960 -0.000 0.000 0.314 243 G HA3 0.561 4.521 3.960 -0.000 0.000 0.314 243 G C -0.656 174.204 174.900 -0.066 0.000 1.267 243 G CA -0.456 44.636 45.100 -0.013 0.000 0.937 243 G HN 0.487 nan 8.290 nan 0.000 0.481 244 I N 2.659 123.167 120.570 -0.105 0.000 2.439 244 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 244 I C 0.115 176.163 176.117 -0.115 0.000 1.021 244 I CA -1.013 60.167 61.300 -0.201 0.000 1.091 244 I CB 2.270 39.968 38.000 -0.503 0.000 1.242 244 I HN 0.099 nan 8.210 nan 0.000 0.439 245 V N 6.099 125.935 119.914 -0.130 0.000 2.694 245 V HA -0.048 4.072 4.120 -0.000 0.000 0.306 245 V C 0.634 176.635 176.094 -0.155 0.000 1.054 245 V CA 0.112 62.328 62.300 -0.141 0.000 1.161 245 V CB 0.120 31.838 31.823 -0.175 0.000 0.916 245 V HN 0.652 nan 8.190 nan 0.000 0.490 246 N N 2.734 121.321 118.700 -0.189 0.000 2.482 246 N HA 0.342 5.082 4.740 -0.000 0.000 0.260 246 N C 0.334 175.372 175.510 -0.787 0.000 1.236 246 N CA 0.409 53.238 53.050 -0.368 0.000 0.938 246 N CB 1.366 39.741 38.487 -0.186 0.000 1.128 246 N HN 0.842 nan 8.380 nan 0.000 0.448 247 G N -0.330 107.429 108.800 -1.735 0.000 2.568 247 G HA2 0.662 4.622 3.960 -0.000 0.000 0.293 247 G HA3 0.662 4.622 3.960 -0.000 0.000 0.293 247 G C -0.242 173.739 174.900 -1.533 0.000 1.347 247 G CA -0.387 43.798 45.100 -1.525 0.000 1.039 247 G HN 0.579 nan 8.290 nan 0.000 0.523 248 I N -3.943 116.116 120.570 -0.852 0.000 3.174 248 I HA 0.507 4.677 4.170 -0.000 0.000 0.313 248 I C -1.202 175.016 176.117 0.169 0.000 1.155 248 I CA -1.238 59.908 61.300 -0.256 0.000 0.977 248 I CB 2.412 40.284 38.000 -0.212 0.000 1.248 248 I HN 0.249 nan 8.210 nan 0.000 0.453 249 D N 2.432 123.082 120.400 0.417 0.000 2.402 249 D HA 0.388 5.028 4.640 -0.000 0.000 0.235 249 D C 0.765 177.308 176.300 0.405 0.000 1.226 249 D CA 0.117 54.377 54.000 0.434 0.000 0.918 249 D CB 1.357 42.413 40.800 0.428 0.000 1.043 249 D HN 0.767 nan 8.370 nan 0.000 0.506 250 A N 3.686 126.680 122.820 0.290 0.000 2.238 250 A HA -0.035 4.285 4.320 -0.000 0.000 0.208 250 A C 1.559 179.277 177.584 0.224 0.000 1.177 250 A CA 0.313 52.507 52.037 0.262 0.000 0.804 250 A CB 0.218 19.315 19.000 0.163 0.000 0.823 250 A HN 0.426 nan 8.150 nan 0.000 0.482 251 D N -0.490 120.033 120.400 0.205 0.000 2.201 251 D HA -0.033 4.607 4.640 -0.000 0.000 0.209 251 D C 1.994 178.383 176.300 0.149 0.000 0.961 251 D CA 1.002 55.088 54.000 0.143 0.000 0.861 251 D CB 0.016 40.884 40.800 0.113 0.000 0.997 251 D HN 0.215 nan 8.370 nan 0.000 0.486 252 V N 0.109 120.141 119.914 0.196 0.000 2.323 252 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 252 V C 0.476 176.647 176.094 0.127 0.000 1.041 252 V CA 0.807 63.190 62.300 0.138 0.000 1.025 252 V CB -0.250 31.665 31.823 0.154 0.000 0.656 252 V HN 0.188 nan 8.190 nan 0.000 0.451 253 W N 2.220 123.642 121.300 0.204 0.000 2.072 253 W HA 0.403 5.063 4.660 -0.000 0.000 0.413 253 W C 0.297 177.004 176.519 0.314 0.000 0.865 253 W CA -0.150 57.357 57.345 0.270 0.000 1.579 253 W CB -0.204 29.356 29.460 0.167 0.000 1.720 253 W HN 0.089 nan 8.180 nan 0.000 0.301 254 N N 3.025 121.912 118.700 0.312 0.000 2.430 254 N HA 0.307 5.047 4.740 -0.000 0.000 0.290 254 N C -1.954 173.417 175.510 -0.232 0.000 1.063 254 N CA -2.361 50.707 53.050 0.030 0.000 0.883 254 N CB 2.567 41.069 38.487 0.026 0.000 1.465 254 N HN -0.139 nan 8.380 nan 0.000 0.493 255 P HA 0.018 nan 4.420 nan 0.000 0.223 255 P C 0.724 177.657 177.300 -0.613 0.000 1.151 255 P CA 0.726 63.218 63.100 -1.013 0.000 0.787 255 P CB 0.245 31.020 31.700 -1.542 0.000 0.788 256 A N -0.287 122.298 122.820 -0.391 0.000 2.119 256 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 256 A C 1.891 179.399 177.584 -0.126 0.000 1.152 256 A CA 1.917 53.816 52.037 -0.230 0.000 0.708 256 A CB -1.154 17.754 19.000 -0.152 0.000 0.805 256 A HN 0.363 nan 8.150 nan 0.000 0.460 257 T N -4.376 110.117 114.554 -0.101 0.000 3.041 257 T HA 0.126 4.476 4.350 -0.000 0.000 0.276 257 T C 0.140 174.844 174.700 0.006 0.000 0.948 257 T CA 0.249 62.327 62.100 -0.037 0.000 0.885 257 T CB -0.282 68.574 68.868 -0.021 0.000 1.175 257 T HN 0.148 nan 8.240 nan 0.000 0.529 258 D N 3.227 123.633 120.400 0.009 0.000 2.531 258 D HA -0.074 4.566 4.640 -0.000 0.000 0.239 258 D C 1.266 177.603 176.300 0.061 0.000 1.144 258 D CA 0.169 54.210 54.000 0.068 0.000 0.869 258 D CB 0.605 41.479 40.800 0.122 0.000 1.160 258 D HN 0.566 nan 8.370 nan 0.000 0.484 259 H N 3.401 122.405 119.070 -0.111 0.000 2.548 259 H HA 0.048 4.604 4.556 -0.000 0.000 0.265 259 H C 1.228 176.471 175.328 -0.141 0.000 0.969 259 H CA 0.106 56.088 56.048 -0.109 0.000 1.155 259 H CB -0.181 29.517 29.762 -0.106 0.000 1.394 259 H HN 0.392 nan 8.280 nan 0.000 0.570 260 L N 1.695 122.525 121.223 -0.656 0.000 2.629 260 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 260 L C 0.733 177.452 176.870 -0.251 0.000 1.151 260 L CA -0.140 54.343 54.840 -0.595 0.000 0.924 260 L CB -0.039 41.462 42.059 -0.930 0.000 1.137 260 L HN 0.254 nan 8.230 nan 0.000 0.457 261 I N -6.220 114.290 120.570 -0.100 0.000 3.067 261 I HA 0.310 4.480 4.170 -0.000 0.000 0.312 261 I C 1.282 177.436 176.117 0.061 0.000 1.073 261 I CA -0.799 60.529 61.300 0.045 0.000 1.016 261 I CB 1.354 39.457 38.000 0.172 0.000 1.227 261 I HN -0.106 nan 8.210 nan 0.000 0.456 262 H N 1.462 120.568 119.070 0.059 0.000 2.326 262 H HA 0.118 4.674 4.556 -0.000 0.000 0.301 262 H C -0.532 174.836 175.328 0.065 0.000 1.081 262 H CA 1.648 57.730 56.048 0.056 0.000 1.334 262 H CB 0.408 30.210 29.762 0.066 0.000 1.385 262 H HN 0.746 nan 8.280 nan 0.000 0.504 263 D N -0.513 120.063 120.400 0.294 0.000 2.857 263 D HA 0.222 4.862 4.640 -0.000 0.000 0.227 263 D C -1.039 175.398 176.300 0.229 0.000 1.192 263 D CA -0.548 53.590 54.000 0.230 0.000 0.857 263 D CB 1.639 42.580 40.800 0.235 0.000 1.645 263 D HN 0.178 nan 8.370 nan 0.000 0.482 264 N N 0.763 119.548 118.700 0.141 0.000 2.515 264 N HA 0.635 5.375 4.740 -0.000 0.000 0.279 264 N C -1.152 174.428 175.510 0.117 0.000 1.164 264 N CA -0.413 52.662 53.050 0.041 0.000 0.982 264 N CB 0.915 39.389 38.487 -0.023 0.000 1.170 264 N HN 0.479 nan 8.380 nan 0.000 0.474 265 Y N -2.179 118.105 120.300 -0.027 0.000 2.788 265 Y HA 0.735 5.285 4.550 -0.000 0.000 0.335 265 Y C -1.090 174.777 175.900 -0.055 0.000 1.287 265 Y CA -1.279 56.804 58.100 -0.028 0.000 1.068 265 Y CB 0.733 39.186 38.460 -0.013 0.000 1.340 265 Y HN 0.531 nan 8.280 nan 0.000 0.449 266 S N -0.548 115.237 115.700 0.142 0.000 2.615 266 S HA 0.698 5.168 4.470 -0.000 0.000 0.269 266 S C 0.328 174.996 174.600 0.113 0.000 1.161 266 S CA -0.553 57.663 58.200 0.027 0.000 0.817 266 S CB 1.218 64.405 63.200 -0.021 0.000 1.131 266 S HN 1.684 nan 8.310 nan 0.000 0.467 267 A N 1.145 123.998 122.820 0.056 0.000 1.948 267 A HA 0.148 4.467 4.320 -0.000 0.000 0.220 267 A C 2.294 179.900 177.584 0.037 0.000 1.177 267 A CA 2.347 54.413 52.037 0.048 0.000 0.636 267 A CB -1.637 17.372 19.000 0.016 0.000 0.815 267 A HN 1.656 nan 8.150 nan 0.000 0.449 268 A N -1.019 121.817 122.820 0.027 0.000 1.969 268 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 268 A C 1.108 178.710 177.584 0.029 0.000 1.169 268 A CA 1.298 53.347 52.037 0.020 0.000 0.635 268 A CB -0.308 18.700 19.000 0.013 0.000 0.810 268 A HN 0.674 nan 8.150 nan 0.000 0.445 269 N N -0.516 118.215 118.700 0.050 0.000 2.581 269 N HA 0.410 5.150 4.740 -0.000 0.000 0.279 269 N C -0.227 175.339 175.510 0.093 0.000 1.124 269 N CA -0.308 52.776 53.050 0.057 0.000 0.833 269 N CB 0.903 39.420 38.487 0.051 0.000 1.338 269 N HN 0.123 nan 8.380 nan 0.000 0.533 270 L N 2.550 123.806 121.223 0.055 0.000 2.554 270 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 270 L C 2.261 179.107 176.870 -0.040 0.000 1.104 270 L CA -0.131 54.715 54.840 0.010 0.000 0.866 270 L CB -0.084 41.965 42.059 -0.016 0.000 1.047 270 L HN 0.478 nan 8.230 nan 0.000 0.468 271 K N 1.016 121.413 120.400 -0.005 0.000 2.052 271 K HA -0.226 4.094 4.320 -0.000 0.000 0.215 271 K C 1.611 178.195 176.600 -0.027 0.000 1.053 271 K CA 1.738 58.017 56.287 -0.014 0.000 0.934 271 K CB -0.720 31.783 32.500 0.005 0.000 0.717 271 K HN 0.476 nan 8.250 nan 0.000 0.450 272 N N 0.830 119.534 118.700 0.007 0.000 2.334 272 N HA -0.207 4.533 4.740 -0.000 0.000 0.187 272 N C 1.886 177.368 175.510 -0.047 0.000 1.016 272 N CA 0.726 53.792 53.050 0.026 0.000 0.879 272 N CB -0.293 38.266 38.487 0.120 0.000 0.965 272 N HN 0.286 nan 8.380 nan 0.000 0.438 273 R N 1.171 121.529 120.500 -0.236 0.000 2.103 273 R HA -0.103 4.237 4.340 -0.000 0.000 0.242 273 R C 2.208 178.403 176.300 -0.176 0.000 1.142 273 R CA 1.526 57.362 56.100 -0.440 0.000 0.960 273 R CB -0.227 29.678 30.300 -0.658 0.000 0.858 273 R HN 0.236 nan 8.270 nan 0.000 0.439 274 A N 0.544 123.298 122.820 -0.110 0.000 2.024 274 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 274 A C 2.064 179.614 177.584 -0.056 0.000 1.164 274 A CA 1.155 53.156 52.037 -0.061 0.000 0.643 274 A CB -0.447 18.524 19.000 -0.048 0.000 0.806 274 A HN 0.338 nan 8.150 nan 0.000 0.451 275 L N -0.457 120.729 121.223 -0.061 0.000 2.156 275 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 275 L C 2.024 178.817 176.870 -0.128 0.000 1.095 275 L CA 0.886 55.662 54.840 -0.107 0.000 0.770 275 L CB -0.560 41.450 42.059 -0.082 0.000 0.914 275 L HN 0.403 nan 8.230 nan 0.000 0.439 276 N N 0.266 118.951 118.700 -0.025 0.000 2.331 276 N HA -0.164 4.576 4.740 -0.000 0.000 0.180 276 N C 1.757 177.286 175.510 0.032 0.000 1.019 276 N CA 0.849 53.926 53.050 0.045 0.000 0.881 276 N CB 0.043 38.611 38.487 0.135 0.000 0.972 276 N HN 0.380 nan 8.380 nan 0.000 0.435 277 K N 1.871 122.274 120.400 0.004 0.000 2.057 277 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 277 K C 1.989 178.598 176.600 0.016 0.000 1.050 277 K CA 1.013 57.309 56.287 0.014 0.000 0.935 277 K CB 0.080 32.580 32.500 -0.000 0.000 0.715 277 K HN -0.047 nan 8.250 nan 0.000 0.439 278 K N 0.324 120.715 120.400 -0.014 0.000 2.001 278 K HA -0.196 4.124 4.320 -0.000 0.000 0.214 278 K C 2.011 178.620 176.600 0.015 0.000 1.050 278 K CA 1.661 57.939 56.287 -0.015 0.000 0.934 278 K CB -0.306 32.157 32.500 -0.062 0.000 0.718 278 K HN 0.243 nan 8.250 nan 0.000 0.443 279 A N 0.509 123.321 122.820 -0.013 0.000 1.908 279 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 279 A C 2.261 179.942 177.584 0.161 0.000 1.181 279 A CA 1.856 53.936 52.037 0.072 0.000 0.627 279 A CB -0.689 18.374 19.000 0.105 0.000 0.818 279 A HN 0.216 nan 8.150 nan 0.000 0.445 280 V N -0.284 119.721 119.914 0.152 0.000 2.343 280 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 280 V C 3.043 179.314 176.094 0.294 0.000 1.051 280 V CA 1.970 64.409 62.300 0.231 0.000 1.036 280 V CB -1.211 30.709 31.823 0.161 0.000 0.654 280 V HN 0.629 nan 8.190 nan 0.000 0.451 281 A N -0.501 122.424 122.820 0.174 0.000 1.898 281 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 281 A C 2.175 179.871 177.584 0.187 0.000 1.181 281 A CA 1.772 53.907 52.037 0.164 0.000 0.620 281 A CB -0.446 18.605 19.000 0.085 0.000 0.819 281 A HN 0.620 nan 8.150 nan 0.000 0.442 282 E N -1.446 118.847 120.200 0.153 0.000 2.077 282 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 282 E C 1.915 178.598 176.600 0.139 0.000 0.989 282 E CA 1.443 57.917 56.400 0.123 0.000 0.800 282 E CB -0.284 29.475 29.700 0.098 0.000 0.746 282 E HN 0.905 nan 8.360 nan 0.000 0.452 283 H N -0.610 118.520 119.070 0.101 0.000 2.357 283 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 283 H C 1.388 176.692 175.328 -0.041 0.000 1.082 283 H CA 1.396 57.454 56.048 0.016 0.000 1.342 283 H CB 0.009 29.771 29.762 0.000 0.000 1.389 283 H HN 0.060 nan 8.280 nan 0.000 0.511 284 F N 0.266 120.329 119.950 0.188 0.000 2.811 284 F HA 0.140 4.667 4.527 0.000 0.000 0.301 284 F C 0.587 176.423 175.800 0.059 0.000 1.151 284 F CA 0.122 58.200 58.000 0.130 0.000 1.412 284 F CB 0.451 39.530 39.000 0.132 0.000 1.113 284 F HN 0.035 nan 8.300 nan 0.000 0.579 285 R N 0.596 121.198 120.500 0.170 0.000 3.532 285 R HA -0.184 4.156 4.340 -0.000 0.000 0.284 285 R C -0.388 175.987 176.300 0.126 0.000 1.140 285 R CA 0.835 56.999 56.100 0.106 0.000 0.768 285 R CB -3.121 27.215 30.300 0.059 0.000 1.252 285 R HN 0.548 nan 8.270 nan 0.000 0.454 286 I N -3.347 117.308 120.570 0.142 0.000 3.100 286 I HA 0.536 4.706 4.170 -0.000 0.000 0.312 286 I C 0.255 176.416 176.117 0.075 0.000 1.063 286 I CA -1.133 60.231 61.300 0.106 0.000 1.031 286 I CB 1.042 39.102 38.000 0.100 0.000 1.243 286 I HN -0.293 nan 8.210 nan 0.000 0.483 287 D N 1.916 122.346 120.400 0.051 0.000 2.449 287 D HA 0.073 4.713 4.640 -0.000 0.000 0.236 287 D C -0.766 175.553 176.300 0.031 0.000 1.149 287 D CA 0.735 54.756 54.000 0.036 0.000 0.878 287 D CB 0.468 41.279 40.800 0.019 0.000 1.198 287 D HN 0.560 nan 8.370 nan 0.000 0.446 288 D N 0.827 121.243 120.400 0.027 0.000 2.464 288 D HA 0.294 4.934 4.640 -0.000 0.000 0.243 288 D C -1.169 175.139 176.300 0.012 0.000 1.104 288 D CA -0.604 53.409 54.000 0.021 0.000 0.883 288 D CB 0.228 41.042 40.800 0.024 0.000 1.050 288 D HN 0.340 nan 8.370 nan 0.000 0.524 289 D N -0.131 120.272 120.400 0.006 0.000 2.752 289 D HA 0.395 5.035 4.640 -0.000 0.000 0.313 289 D C 0.887 177.191 176.300 0.006 0.000 1.225 289 D CA -0.950 53.053 54.000 0.006 0.000 0.976 289 D CB 0.320 41.124 40.800 0.006 0.000 1.443 289 D HN 0.140 nan 8.370 nan 0.000 0.515 290 G N -0.982 107.829 108.800 0.018 0.000 3.088 290 G HA2 0.229 4.189 3.960 -0.000 0.000 0.212 290 G HA3 0.229 4.189 3.960 -0.000 0.000 0.212 290 G C 0.400 175.350 174.900 0.083 0.000 1.173 290 G CA 0.352 45.477 45.100 0.040 0.000 0.779 290 G HN 0.624 nan 8.290 nan 0.000 0.540 291 S N 0.448 116.163 115.700 0.025 0.000 2.603 291 S HA 0.442 4.912 4.470 -0.000 0.000 0.268 291 S C -2.745 171.694 174.600 -0.268 0.000 1.317 291 S CA -1.401 56.782 58.200 -0.029 0.000 1.012 291 S CB 1.506 64.689 63.200 -0.028 0.000 0.926 291 S HN -0.082 nan 8.310 nan 0.000 0.539 292 P HA 0.159 nan 4.420 nan 0.000 0.261 292 P C -0.945 176.013 177.300 -0.570 0.000 1.183 292 P CA -0.092 62.332 63.100 -1.127 0.000 0.761 292 P CB 0.121 31.215 31.700 -1.010 0.000 0.785 293 L N 5.984 126.889 121.223 -0.530 0.000 2.318 293 L HA 0.484 4.824 4.340 -0.000 0.000 0.277 293 L C -1.208 175.504 176.870 -0.263 0.000 1.008 293 L CA -0.480 54.204 54.840 -0.261 0.000 0.846 293 L CB -0.296 41.672 42.059 -0.151 0.000 1.220 293 L HN 0.106 nan 8.230 nan 0.000 0.423 294 F N 3.973 123.834 119.950 -0.147 0.000 2.379 294 F HA 0.603 5.130 4.527 -0.000 0.000 0.332 294 F C 0.820 176.557 175.800 -0.105 0.000 1.096 294 F CA -0.150 57.791 58.000 -0.097 0.000 1.105 294 F CB 1.145 40.086 39.000 -0.099 0.000 1.189 294 F HN 0.674 nan 8.300 nan 0.000 0.515 295 C N 0.767 120.145 119.300 0.131 0.000 3.080 295 C HA 0.965 5.425 4.460 -0.000 0.000 0.307 295 C C -1.037 173.985 174.990 0.053 0.000 1.311 295 C CA -1.012 58.022 59.018 0.026 0.000 1.533 295 C CB 1.293 29.023 27.740 -0.017 0.000 1.970 295 C HN 0.625 nan 8.230 nan 0.000 0.467 296 V N 1.746 121.673 119.914 0.021 0.000 2.686 296 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 296 V C -0.608 175.514 176.094 0.046 0.000 1.065 296 V CA -0.269 62.053 62.300 0.037 0.000 0.894 296 V CB 1.786 33.626 31.823 0.028 0.000 1.004 296 V HN 0.857 nan 8.190 nan 0.000 0.424 297 I N 4.520 125.122 120.570 0.053 0.000 2.714 297 I HA 0.523 4.693 4.170 -0.000 0.000 0.276 297 I C -0.322 175.835 176.117 0.066 0.000 1.196 297 I CA 0.049 61.389 61.300 0.067 0.000 1.068 297 I CB 1.306 39.341 38.000 0.060 0.000 1.291 297 I HN 0.704 nan 8.210 nan 0.000 0.530 298 S N 4.417 120.163 115.700 0.076 0.000 2.611 298 S HA 0.540 5.010 4.470 -0.000 0.000 0.268 298 S C -0.733 173.922 174.600 0.092 0.000 1.156 298 S CA -1.024 57.222 58.200 0.076 0.000 0.817 298 S CB 1.975 65.206 63.200 0.052 0.000 1.122 298 S HN 0.477 nan 8.310 nan 0.000 0.466 299 R N 0.388 120.946 120.500 0.096 0.000 2.585 299 R HA 0.222 4.562 4.340 -0.000 0.000 0.275 299 R C -0.819 175.539 176.300 0.097 0.000 1.018 299 R CA -0.195 55.968 56.100 0.105 0.000 1.072 299 R CB -0.106 30.260 30.300 0.109 0.000 0.953 299 R HN 0.426 nan 8.270 nan 0.000 0.419 300 L N 3.836 125.119 121.223 0.100 0.000 2.328 300 L HA 0.194 4.534 4.340 -0.000 0.000 0.280 300 L C 0.414 177.350 176.870 0.109 0.000 1.111 300 L CA 0.414 55.311 54.840 0.095 0.000 0.909 300 L CB 0.159 42.272 42.059 0.090 0.000 1.277 300 L HN 0.760 nan 8.230 nan 0.000 0.433 301 T N -3.325 111.300 114.554 0.119 0.000 2.841 301 T HA 0.202 4.552 4.350 -0.000 0.000 0.296 301 T C 0.393 175.208 174.700 0.191 0.000 1.166 301 T CA -0.753 61.445 62.100 0.163 0.000 1.007 301 T CB 0.671 69.641 68.868 0.170 0.000 1.253 301 T HN 0.376 nan 8.240 nan 0.000 0.511 302 W N 0.868 122.201 121.300 0.056 0.000 2.374 302 W HA -0.035 4.625 4.660 0.000 0.000 0.288 302 W C 2.249 178.813 176.519 0.075 0.000 1.218 302 W CA 1.351 58.729 57.345 0.055 0.000 1.245 302 W CB -0.102 29.381 29.460 0.037 0.000 1.126 302 W HN 0.664 nan 8.180 nan 0.000 0.545 303 Q N -0.032 119.924 119.800 0.260 0.000 2.119 303 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 303 Q C 1.564 177.601 176.000 0.060 0.000 0.972 303 Q CA 1.146 57.059 55.803 0.183 0.000 0.847 303 Q CB -0.478 28.423 28.738 0.273 0.000 0.903 303 Q HN 0.216 nan 8.270 nan 0.000 0.433 304 K N -0.400 120.030 120.400 0.050 0.000 2.417 304 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 304 K C 0.842 177.421 176.600 -0.034 0.000 1.023 304 K CA 0.469 56.766 56.287 0.016 0.000 1.122 304 K CB 0.440 32.968 32.500 0.047 0.000 0.850 304 K HN 0.354 nan 8.250 nan 0.000 0.521 305 G N 1.916 110.645 108.800 -0.118 0.000 2.168 305 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 305 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 305 G C 0.802 175.669 174.900 -0.055 0.000 0.997 305 G CA 0.226 45.238 45.100 -0.147 0.000 0.708 305 G HN 0.275 nan 8.290 nan 0.000 0.520 306 I N 2.020 122.585 120.570 -0.010 0.000 2.756 306 I HA -0.050 4.120 4.170 -0.000 0.000 0.262 306 I C 2.476 178.611 176.117 0.031 0.000 1.225 306 I CA 1.710 63.024 61.300 0.023 0.000 1.472 306 I CB -0.878 37.153 38.000 0.051 0.000 1.094 306 I HN 0.534 nan 8.210 nan 0.000 0.454 307 D N 1.110 121.533 120.400 0.038 0.000 2.178 307 D HA -0.202 4.438 4.640 -0.000 0.000 0.202 307 D C 2.055 178.373 176.300 0.031 0.000 0.974 307 D CA 1.081 55.126 54.000 0.075 0.000 0.841 307 D CB -0.600 40.302 40.800 0.171 0.000 0.953 307 D HN 0.334 nan 8.370 nan 0.000 0.478 308 L N -0.810 120.406 121.223 -0.011 0.000 2.179 308 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 308 L C 2.622 179.469 176.870 -0.038 0.000 1.096 308 L CA 0.274 55.099 54.840 -0.024 0.000 0.779 308 L CB -0.342 41.697 42.059 -0.034 0.000 0.922 308 L HN -0.031 nan 8.230 nan 0.000 0.443 309 M N 0.188 119.772 119.600 -0.027 0.000 2.229 309 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 309 M C 2.377 178.653 176.300 -0.041 0.000 1.063 309 M CA 1.691 56.965 55.300 -0.043 0.000 1.114 309 M CB -0.868 31.720 32.600 -0.020 0.000 1.387 309 M HN 0.238 nan 8.290 nan 0.000 0.420 310 A N -0.613 122.201 122.820 -0.010 0.000 1.929 310 A HA -0.086 4.233 4.320 -0.000 0.000 0.216 310 A C 1.842 179.422 177.584 -0.007 0.000 1.176 310 A CA 1.109 53.147 52.037 0.002 0.000 0.628 310 A CB -0.438 18.579 19.000 0.027 0.000 0.816 310 A HN 0.443 nan 8.150 nan 0.000 0.444 311 E N -0.471 119.721 120.200 -0.013 0.000 2.502 311 E HA 0.154 4.504 4.350 -0.000 0.000 0.194 311 E C 1.285 177.854 176.600 -0.051 0.000 1.062 311 E CA 0.700 57.089 56.400 -0.019 0.000 0.867 311 E CB 0.132 29.826 29.700 -0.010 0.000 0.888 311 E HN 0.581 nan 8.360 nan 0.000 0.510 312 A N -0.111 122.661 122.820 -0.080 0.000 2.419 312 A HA 0.135 4.455 4.320 -0.000 0.000 0.233 312 A C 2.115 179.601 177.584 -0.164 0.000 1.217 312 A CA -0.099 51.859 52.037 -0.132 0.000 0.944 312 A CB 0.265 19.165 19.000 -0.167 0.000 1.025 312 A HN 0.062 nan 8.150 nan 0.000 0.524 313 V N 0.941 120.778 119.914 -0.127 0.000 2.287 313 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 313 V C 2.089 178.057 176.094 -0.210 0.000 1.053 313 V CA 2.422 64.627 62.300 -0.158 0.000 1.027 313 V CB -0.685 31.090 31.823 -0.080 0.000 0.646 313 V HN 0.481 nan 8.190 nan 0.000 0.447 314 D N -0.295 120.030 120.400 -0.125 0.000 2.158 314 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 314 D C 2.149 178.351 176.300 -0.163 0.000 0.995 314 D CA 1.563 55.490 54.000 -0.123 0.000 0.846 314 D CB -0.190 40.629 40.800 0.031 0.000 0.941 314 D HN 0.530 nan 8.370 nan 0.000 0.456 315 E N 0.615 120.724 120.200 -0.152 0.000 2.077 315 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 315 E C 2.179 178.661 176.600 -0.198 0.000 0.989 315 E CA 0.638 56.944 56.400 -0.156 0.000 0.800 315 E CB -0.300 29.303 29.700 -0.162 0.000 0.746 315 E HN 0.280 nan 8.360 nan 0.000 0.452 316 I N -0.400 120.004 120.570 -0.276 0.000 2.099 316 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 316 I C 2.254 178.246 176.117 -0.208 0.000 1.066 316 I CA 1.249 62.364 61.300 -0.309 0.000 1.324 316 I CB -0.476 37.278 38.000 -0.409 0.000 1.037 316 I HN 0.060 nan 8.210 nan 0.000 0.401 317 V N 0.154 119.900 119.914 -0.280 0.000 2.287 317 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 317 V C 2.639 178.630 176.094 -0.171 0.000 1.053 317 V CA 2.298 64.425 62.300 -0.289 0.000 1.027 317 V CB -0.774 30.654 31.823 -0.658 0.000 0.646 317 V HN 0.520 nan 8.190 nan 0.000 0.447 318 S N -0.275 115.332 115.700 -0.155 0.000 2.387 318 S HA -0.203 4.267 4.470 -0.000 0.000 0.230 318 S C 1.795 176.362 174.600 -0.056 0.000 1.035 318 S CA 1.823 59.977 58.200 -0.077 0.000 1.014 318 S CB -0.430 62.730 63.200 -0.067 0.000 0.836 318 S HN 0.551 nan 8.310 nan 0.000 0.466 319 L N 0.339 121.525 121.223 -0.061 0.000 2.552 319 L HA 0.209 4.549 4.340 -0.000 0.000 0.227 319 L C 1.912 178.789 176.870 0.011 0.000 1.146 319 L CA 0.567 55.395 54.840 -0.019 0.000 0.858 319 L CB -0.373 41.679 42.059 -0.011 0.000 0.969 319 L HN 0.630 nan 8.230 nan 0.000 0.451 320 G N -0.898 107.893 108.800 -0.015 0.000 2.179 320 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 320 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 320 G C 0.503 175.393 174.900 -0.016 0.000 0.990 320 G CA -0.320 44.779 45.100 -0.003 0.000 0.646 320 G HN 0.499 nan 8.290 nan 0.000 0.517 321 G N -0.552 108.238 108.800 -0.016 0.000 2.547 321 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 321 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 321 G C -0.055 174.831 174.900 -0.024 0.000 1.211 321 G CA -0.620 44.481 45.100 0.003 0.000 0.950 321 G HN 0.460 nan 8.290 nan 0.000 0.504 322 R N -1.347 119.157 120.500 0.008 0.000 2.832 322 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 322 R C -1.436 174.878 176.300 0.022 0.000 0.996 322 R CA -0.770 55.318 56.100 -0.020 0.000 0.977 322 R CB 2.114 32.388 30.300 -0.043 0.000 1.168 322 R HN 0.374 nan 8.270 nan 0.000 0.482 323 L N 1.255 122.450 121.223 -0.045 0.000 2.455 323 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 323 L C -1.504 175.272 176.870 -0.157 0.000 0.968 323 L CA -0.709 54.096 54.840 -0.060 0.000 0.827 323 L CB 2.336 44.344 42.059 -0.085 0.000 1.317 323 L HN 0.486 nan 8.230 nan 0.000 0.407 324 V N 2.653 122.414 119.914 -0.255 0.000 2.656 324 V HA 0.918 5.038 4.120 -0.000 0.000 0.307 324 V C -1.122 174.749 176.094 -0.372 0.000 1.051 324 V CA -0.638 61.312 62.300 -0.584 0.000 0.893 324 V CB 1.717 32.782 31.823 -1.262 0.000 0.999 324 V HN 0.553 nan 8.190 nan 0.000 0.426 325 V N 5.493 125.267 119.914 -0.234 0.000 2.588 325 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 325 V C -0.776 175.436 176.094 0.196 0.000 1.042 325 V CA -0.457 61.848 62.300 0.008 0.000 0.877 325 V CB 1.608 33.459 31.823 0.046 0.000 0.996 325 V HN 0.917 nan 8.190 nan 0.000 0.425 326 L N 4.219 125.554 121.223 0.186 0.000 2.376 326 L HA 1.038 5.378 4.340 -0.000 0.000 0.275 326 L C -0.000 176.958 176.870 0.147 0.000 0.987 326 L CA 0.430 55.402 54.840 0.221 0.000 0.828 326 L CB 1.202 43.395 42.059 0.223 0.000 1.249 326 L HN 0.960 nan 8.230 nan 0.000 0.409 327 G N 2.949 111.835 108.800 0.144 0.000 2.328 327 G HA2 0.669 4.629 3.960 -0.000 0.000 0.299 327 G HA3 0.669 4.629 3.960 -0.000 0.000 0.299 327 G C -2.208 172.769 174.900 0.129 0.000 1.435 327 G CA -0.110 45.070 45.100 0.133 0.000 0.865 327 G HN 1.018 nan 8.290 nan 0.000 0.601 328 A N -1.122 121.775 122.820 0.128 0.000 2.469 328 A HA 1.194 5.514 4.320 -0.000 0.000 0.299 328 A C 0.421 178.068 177.584 0.104 0.000 1.098 328 A CA 0.247 52.353 52.037 0.114 0.000 0.737 328 A CB 1.709 20.781 19.000 0.120 0.000 1.312 328 A HN 2.747 nan 8.150 nan 0.000 0.414 329 G N -0.519 108.337 108.800 0.094 0.000 2.367 329 G HA2 0.361 4.321 3.960 -0.000 0.000 0.272 329 G HA3 0.361 4.321 3.960 -0.000 0.000 0.272 329 G C -1.243 173.706 174.900 0.082 0.000 1.271 329 G CA -0.111 45.043 45.100 0.091 0.000 0.893 329 G HN 0.889 nan 8.290 nan 0.000 0.485 330 D N 1.068 121.520 120.400 0.086 0.000 4.368 330 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 330 D C 2.197 178.539 176.300 0.070 0.000 1.209 330 D CA 0.886 54.934 54.000 0.079 0.000 0.766 330 D CB 0.830 41.688 40.800 0.096 0.000 1.226 330 D HN 1.058 nan 8.370 nan 0.000 0.663 331 V N 3.202 123.151 119.914 0.058 0.000 2.568 331 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 331 V C 2.203 178.328 176.094 0.052 0.000 1.072 331 V CA 1.813 64.144 62.300 0.053 0.000 1.084 331 V CB -0.895 30.955 31.823 0.045 0.000 0.676 331 V HN 0.553 nan 8.190 nan 0.000 0.469 332 A N 0.540 123.390 122.820 0.051 0.000 1.969 332 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 332 A C 2.234 179.853 177.584 0.058 0.000 1.169 332 A CA 1.938 54.005 52.037 0.050 0.000 0.635 332 A CB -0.520 18.508 19.000 0.047 0.000 0.810 332 A HN 0.586 nan 8.150 nan 0.000 0.445 333 L N -0.924 120.341 121.223 0.069 0.000 2.131 333 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 333 L C 2.545 179.455 176.870 0.068 0.000 1.087 333 L CA 1.141 56.025 54.840 0.073 0.000 0.767 333 L CB -0.604 41.507 42.059 0.087 0.000 0.917 333 L HN 0.455 nan 8.230 nan 0.000 0.441 334 E N 0.421 120.663 120.200 0.069 0.000 2.033 334 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 334 E C 2.175 178.813 176.600 0.063 0.000 1.011 334 E CA 1.331 57.773 56.400 0.069 0.000 0.815 334 E CB -0.430 29.312 29.700 0.069 0.000 0.755 334 E HN 0.551 nan 8.360 nan 0.000 0.451 335 G N 1.306 110.140 108.800 0.056 0.000 2.491 335 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 335 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 335 G C 1.733 176.663 174.900 0.049 0.000 1.180 335 G CA 1.276 46.405 45.100 0.049 0.000 0.774 335 G HN 0.376 nan 8.290 nan 0.000 0.562 336 A N 0.133 122.982 122.820 0.049 0.000 1.978 336 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 336 A C 2.456 180.070 177.584 0.050 0.000 1.170 336 A CA 1.315 53.379 52.037 0.046 0.000 0.636 336 A CB -0.302 18.725 19.000 0.046 0.000 0.810 336 A HN 0.389 nan 8.150 nan 0.000 0.448 337 L N -0.946 120.310 121.223 0.055 0.000 2.007 337 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 337 L C 2.567 179.477 176.870 0.067 0.000 1.073 337 L CA 1.104 55.979 54.840 0.058 0.000 0.744 337 L CB -0.639 41.458 42.059 0.063 0.000 0.898 337 L HN 0.363 nan 8.230 nan 0.000 0.435 338 L N -0.045 121.220 121.223 0.070 0.000 2.051 338 L HA -0.292 4.048 4.340 -0.000 0.000 0.214 338 L C 2.842 179.752 176.870 0.066 0.000 1.076 338 L CA 1.472 56.356 54.840 0.072 0.000 0.758 338 L CB -0.816 41.282 42.059 0.065 0.000 0.890 338 L HN 0.303 nan 8.230 nan 0.000 0.433 339 A N -0.254 122.599 122.820 0.056 0.000 1.933 339 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 339 A C 2.520 180.137 177.584 0.055 0.000 1.175 339 A CA 1.696 53.762 52.037 0.047 0.000 0.628 339 A CB -0.664 18.359 19.000 0.038 0.000 0.814 339 A HN 0.429 nan 8.150 nan 0.000 0.444 340 A N -0.226 122.637 122.820 0.072 0.000 1.969 340 A HA 0.202 4.522 4.320 -0.000 0.000 0.218 340 A C 2.437 180.097 177.584 0.125 0.000 1.169 340 A CA 1.832 53.934 52.037 0.109 0.000 0.635 340 A CB -0.836 18.226 19.000 0.103 0.000 0.810 340 A HN 1.013 nan 8.150 nan 0.000 0.445 341 A N 0.328 123.211 122.820 0.104 0.000 1.930 341 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 341 A C 2.491 180.151 177.584 0.127 0.000 1.175 341 A CA 2.217 54.324 52.037 0.116 0.000 0.627 341 A CB -0.772 18.296 19.000 0.114 0.000 0.815 341 A HN 0.867 nan 8.150 nan 0.000 0.443 342 S N 0.862 116.623 115.700 0.101 0.000 2.377 342 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 342 S C 2.024 176.685 174.600 0.102 0.000 1.030 342 S CA 0.895 59.157 58.200 0.103 0.000 0.970 342 S CB -0.565 62.669 63.200 0.058 0.000 0.830 342 S HN 0.753 nan 8.310 nan 0.000 0.473 343 R N 1.104 121.615 120.500 0.020 0.000 2.096 343 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 343 R C 0.815 176.977 176.300 -0.230 0.000 1.127 343 R CA 1.577 57.609 56.100 -0.112 0.000 0.968 343 R CB -0.799 29.382 30.300 -0.199 0.000 0.861 343 R HN 0.471 nan 8.270 nan 0.000 0.440 344 H N 1.552 120.634 119.070 0.020 0.000 2.507 344 H HA 0.100 4.656 4.556 -0.000 0.000 0.271 344 H C -0.550 174.715 175.328 -0.105 0.000 1.224 344 H CA -0.736 55.271 56.048 -0.068 0.000 1.000 344 H CB -0.383 29.343 29.762 -0.058 0.000 1.663 344 H HN 0.478 nan 8.280 nan 0.000 0.548 345 H N -1.330 117.787 119.070 0.079 0.000 3.064 345 H HA 0.215 4.771 4.556 0.000 0.000 0.329 345 H C 1.409 176.778 175.328 0.068 0.000 1.020 345 H CA 0.858 56.945 56.048 0.065 0.000 1.402 345 H CB 0.478 30.263 29.762 0.038 0.000 1.379 345 H HN 0.465 nan 8.280 nan 0.000 0.594 346 G N 3.188 112.043 108.800 0.091 0.000 2.253 346 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 346 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 346 G C 1.434 176.340 174.900 0.010 0.000 0.998 346 G CA 0.363 45.494 45.100 0.052 0.000 0.621 346 G HN 0.627 nan 8.290 nan 0.000 0.524 347 R N -0.662 119.833 120.500 -0.009 0.000 2.369 347 R HA 0.452 4.792 4.340 -0.000 0.000 0.210 347 R C 0.310 176.598 176.300 -0.019 0.000 0.881 347 R CA 0.781 56.867 56.100 -0.023 0.000 1.031 347 R CB 0.786 31.053 30.300 -0.055 0.000 1.184 347 R HN 0.481 nan 8.270 nan 0.000 0.581 348 V N 0.270 120.196 119.914 0.020 0.000 2.638 348 V HA 0.710 4.830 4.120 -0.000 0.000 0.306 348 V C -0.277 175.853 176.094 0.060 0.000 1.052 348 V CA -1.033 61.275 62.300 0.012 0.000 0.885 348 V CB 2.074 33.915 31.823 0.029 0.000 0.999 348 V HN 0.262 nan 8.190 nan 0.000 0.424 349 G N 2.921 111.742 108.800 0.035 0.000 2.609 349 G HA2 0.663 4.623 3.960 -0.000 0.000 0.308 349 G HA3 0.663 4.623 3.960 -0.000 0.000 0.308 349 G C -1.454 173.564 174.900 0.197 0.000 1.369 349 G CA -0.500 44.711 45.100 0.185 0.000 0.958 349 G HN 0.532 nan 8.290 nan 0.000 0.499 350 V N 0.854 120.939 119.914 0.284 0.000 2.628 350 V HA 0.843 4.963 4.120 -0.000 0.000 0.306 350 V C 0.096 176.399 176.094 0.348 0.000 1.045 350 V CA -0.681 61.784 62.300 0.275 0.000 0.905 350 V CB 1.828 33.746 31.823 0.159 0.000 0.997 350 V HN 1.167 nan 8.190 nan 0.000 0.436 351 A N 5.630 128.670 122.820 0.366 0.000 2.411 351 A HA 0.763 5.083 4.320 -0.000 0.000 0.285 351 A C -0.872 176.813 177.584 0.169 0.000 1.129 351 A CA -0.386 51.782 52.037 0.220 0.000 0.736 351 A CB 0.605 19.692 19.000 0.144 0.000 1.186 351 A HN 0.723 nan 8.150 nan 0.000 0.445 352 I N 2.701 123.344 120.570 0.122 0.000 2.342 352 I HA 0.636 4.806 4.170 -0.000 0.000 0.291 352 I C 0.946 177.125 176.117 0.104 0.000 1.010 352 I CA 0.541 61.908 61.300 0.111 0.000 1.308 352 I CB 1.391 39.449 38.000 0.096 0.000 1.400 352 I HN 0.993 nan 8.210 nan 0.000 0.488 353 G N 5.152 114.026 108.800 0.123 0.000 2.302 353 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.276 353 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.276 353 G C -2.143 172.875 174.900 0.198 0.000 1.316 353 G CA -0.750 44.436 45.100 0.143 0.000 0.988 353 G HN 0.427 nan 8.290 nan 0.000 0.479 354 Y N 1.744 122.083 120.300 0.065 0.000 2.377 354 Y HA 0.780 5.330 4.550 -0.000 0.000 0.339 354 Y C -0.254 175.682 175.900 0.060 0.000 1.011 354 Y CA -1.176 56.965 58.100 0.068 0.000 1.093 354 Y CB 2.131 40.630 38.460 0.065 0.000 1.201 354 Y HN 0.680 nan 8.280 nan 0.000 0.455 355 N N 4.584 122.955 118.700 -0.549 0.000 3.151 355 N HA 0.010 4.750 4.740 -0.000 0.000 0.219 355 N C 0.081 175.337 175.510 -0.424 0.000 1.434 355 N CA -0.035 52.781 53.050 -0.389 0.000 0.767 355 N CB 0.530 38.929 38.487 -0.148 0.000 1.564 355 N HN 0.988 nan 8.380 nan 0.000 0.612 356 E N 2.590 122.470 120.200 -0.533 0.000 2.051 356 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 356 E C -1.123 175.424 176.600 -0.088 0.000 0.991 356 E CA 1.211 57.466 56.400 -0.241 0.000 0.799 356 E CB -0.119 29.511 29.700 -0.117 0.000 0.748 356 E HN 0.358 nan 8.360 nan 0.000 0.449 357 P HA -0.140 nan 4.420 nan 0.000 0.216 357 P C 1.490 178.710 177.300 -0.134 0.000 1.153 357 P CA 0.842 63.807 63.100 -0.226 0.000 0.848 357 P CB -0.074 31.494 31.700 -0.220 0.000 0.787 358 L N -0.368 120.772 121.223 -0.139 0.000 2.131 358 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 358 L C 2.363 179.214 176.870 -0.032 0.000 1.092 358 L CA 1.949 56.699 54.840 -0.149 0.000 0.759 358 L CB -1.538 40.388 42.059 -0.221 0.000 0.903 358 L HN -0.053 nan 8.230 nan 0.000 0.435 359 S N -1.649 114.051 115.700 0.001 0.000 2.383 359 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 359 S C 2.067 176.710 174.600 0.072 0.000 1.026 359 S CA 1.121 59.352 58.200 0.052 0.000 0.981 359 S CB -0.569 62.661 63.200 0.050 0.000 0.818 359 S HN 0.683 nan 8.310 nan 0.000 0.472 360 H N -0.046 118.956 119.070 -0.115 0.000 2.357 360 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 360 H C 2.155 177.454 175.328 -0.050 0.000 1.082 360 H CA 1.527 57.445 56.048 -0.215 0.000 1.342 360 H CB -0.201 29.298 29.762 -0.438 0.000 1.389 360 H HN 0.362 nan 8.280 nan 0.000 0.511 361 L N 0.807 122.090 121.223 0.100 0.000 2.093 361 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 361 L C 2.338 179.288 176.870 0.134 0.000 1.085 361 L CA 1.267 56.176 54.840 0.115 0.000 0.755 361 L CB -0.435 41.656 42.059 0.052 0.000 0.904 361 L HN 0.138 nan 8.230 nan 0.000 0.435 362 M N -1.418 118.246 119.600 0.107 0.000 2.117 362 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 362 M C 2.183 178.553 176.300 0.116 0.000 1.065 362 M CA 1.490 56.855 55.300 0.109 0.000 1.114 362 M CB -0.405 32.256 32.600 0.101 0.000 1.361 362 M HN 0.261 nan 8.290 nan 0.000 0.408 363 Q N -0.123 119.741 119.800 0.107 0.000 2.124 363 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 363 Q C 2.201 178.388 176.000 0.312 0.000 0.977 363 Q CA 1.836 57.718 55.803 0.132 0.000 0.850 363 Q CB -0.454 28.258 28.738 -0.044 0.000 0.901 363 Q HN 0.603 nan 8.270 nan 0.000 0.429 364 A N -0.134 122.921 122.820 0.393 0.000 2.067 364 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 364 A C 2.004 179.746 177.584 0.263 0.000 1.156 364 A CA 1.449 53.794 52.037 0.514 0.000 0.683 364 A CB -0.177 19.150 19.000 0.545 0.000 0.808 364 A HN 0.422 nan 8.150 nan 0.000 0.455 365 G N -2.018 106.888 108.800 0.177 0.000 2.833 365 G HA2 0.267 4.227 3.960 -0.000 0.000 0.214 365 G HA3 0.267 4.227 3.960 -0.000 0.000 0.214 365 G C 0.367 175.307 174.900 0.066 0.000 1.075 365 G CA 0.418 45.576 45.100 0.097 0.000 0.799 365 G HN 0.415 nan 8.290 nan 0.000 0.541 366 C N 1.242 120.586 119.300 0.074 0.000 2.520 366 C HA 0.379 4.839 4.460 -0.000 0.000 0.376 366 C C 1.242 176.267 174.990 0.058 0.000 1.268 366 C CA -0.539 58.498 59.018 0.032 0.000 2.414 366 C CB 1.463 29.213 27.740 0.016 0.000 2.521 366 C HN 0.399 nan 8.230 nan 0.000 0.618 367 D N 0.262 120.664 120.400 0.004 0.000 2.213 367 D HA 0.184 4.824 4.640 -0.000 0.000 0.205 367 D C 0.528 176.962 176.300 0.223 0.000 0.961 367 D CA 1.062 55.142 54.000 0.134 0.000 0.853 367 D CB 0.270 41.017 40.800 -0.088 0.000 0.967 367 D HN 0.716 nan 8.370 nan 0.000 0.496 368 A N 0.181 123.007 122.820 0.010 0.000 2.594 368 A HA 0.637 4.957 4.320 -0.000 0.000 0.295 368 A C -1.594 176.053 177.584 0.106 0.000 1.071 368 A CA -0.634 51.442 52.037 0.066 0.000 0.685 368 A CB 1.724 20.739 19.000 0.025 0.000 1.285 368 A HN 0.079 nan 8.150 nan 0.000 0.405 369 I N 1.608 122.261 120.570 0.138 0.000 2.498 369 I HA 0.608 4.778 4.170 -0.000 0.000 0.290 369 I C -1.416 174.791 176.117 0.149 0.000 1.032 369 I CA -1.121 60.257 61.300 0.130 0.000 1.073 369 I CB 1.188 39.232 38.000 0.073 0.000 1.251 369 I HN 0.586 nan 8.210 nan 0.000 0.426 370 I N 8.326 128.985 120.570 0.150 0.000 2.315 370 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 370 I C -0.436 175.733 176.117 0.086 0.000 1.006 370 I CA -0.415 60.965 61.300 0.133 0.000 1.265 370 I CB 1.120 39.174 38.000 0.090 0.000 1.387 370 I HN 0.461 nan 8.210 nan 0.000 0.475 371 I N 8.405 129.027 120.570 0.086 0.000 2.782 371 I HA 0.233 4.403 4.170 -0.000 0.000 0.279 371 I C -2.086 174.048 176.117 0.028 0.000 1.247 371 I CA -1.220 60.097 61.300 0.028 0.000 1.062 371 I CB 1.056 39.042 38.000 -0.024 0.000 1.421 371 I HN 0.366 nan 8.210 nan 0.000 0.558 372 P HA 0.134 nan 4.420 nan 0.000 0.244 372 P C 0.069 177.371 177.300 0.003 0.000 1.632 372 P CA -0.029 63.159 63.100 0.147 0.000 0.944 372 P CB 0.014 31.839 31.700 0.209 0.000 1.569 373 S N 0.711 116.375 115.700 -0.060 0.000 2.563 373 S HA 0.088 4.558 4.470 -0.000 0.000 0.284 373 S C 1.476 176.026 174.600 -0.083 0.000 1.331 373 S CA -0.007 58.149 58.200 -0.074 0.000 1.047 373 S CB 0.849 63.993 63.200 -0.092 0.000 0.859 373 S HN 0.268 nan 8.310 nan 0.000 0.514 374 R N 0.105 120.567 120.500 -0.062 0.000 2.237 374 R HA 0.227 4.567 4.340 -0.000 0.000 0.195 374 R C -0.344 176.092 176.300 0.227 0.000 0.956 374 R CA 0.348 56.441 56.100 -0.012 0.000 1.029 374 R CB 0.301 30.467 30.300 -0.224 0.000 0.972 374 R HN 0.577 nan 8.270 nan 0.000 0.493 375 F N 1.001 120.964 119.950 0.022 0.000 2.562 375 F HA 0.382 4.909 4.527 -0.000 0.000 0.319 375 F C -1.470 174.287 175.800 -0.072 0.000 1.154 375 F CA -1.061 56.979 58.000 0.068 0.000 0.931 375 F CB 1.945 41.038 39.000 0.154 0.000 1.198 375 F HN -0.253 nan 8.300 nan 0.000 0.444 376 E N 7.644 127.373 120.200 -0.786 0.000 2.721 376 E HA 0.329 4.679 4.350 -0.000 0.000 0.392 376 E C -2.509 173.587 176.600 -0.840 0.000 1.068 376 E CA -1.490 54.452 56.400 -0.764 0.000 0.744 376 E CB 1.092 30.551 29.700 -0.403 0.000 1.593 376 E HN 0.274 nan 8.360 nan 0.000 0.382 377 P HA -0.217 nan 4.420 nan 0.000 0.217 377 P C 0.716 177.683 177.300 -0.554 0.000 1.158 377 P CA 1.262 63.634 63.100 -1.213 0.000 0.887 377 P CB 0.312 31.390 31.700 -1.036 0.000 0.792 378 C N -4.250 114.798 119.300 -0.419 0.000 3.024 378 C HA 0.672 5.132 4.460 -0.000 0.000 0.344 378 C C 0.416 175.236 174.990 -0.284 0.000 2.031 378 C CA 1.067 59.916 59.018 -0.283 0.000 1.998 378 C CB 0.444 28.067 27.740 -0.196 0.000 1.929 378 C HN 0.468 nan 8.230 nan 0.000 0.660 379 G N 0.990 109.627 108.800 -0.271 0.000 2.788 379 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 379 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 379 G C -0.338 174.377 174.900 -0.309 0.000 1.147 379 G CA -0.022 44.920 45.100 -0.262 0.000 0.755 379 G HN 0.648 nan 8.290 nan 0.000 0.634 380 L N 0.876 121.893 121.223 -0.344 0.000 2.577 380 L HA 0.092 4.432 4.340 -0.000 0.000 0.225 380 L C 2.945 179.372 176.870 -0.738 0.000 1.053 380 L CA 1.005 55.482 54.840 -0.605 0.000 0.866 380 L CB -0.280 41.441 42.059 -0.563 0.000 1.132 380 L HN 0.704 nan 8.230 nan 0.000 0.486 381 T N 0.500 114.829 114.554 -0.376 0.000 2.720 381 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 381 T C 1.879 176.455 174.700 -0.206 0.000 1.037 381 T CA 1.775 63.748 62.100 -0.213 0.000 1.144 381 T CB -0.112 68.697 68.868 -0.097 0.000 0.864 381 T HN 0.407 nan 8.240 nan 0.000 0.444 382 Q N 1.038 120.706 119.800 -0.221 0.000 2.224 382 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 382 Q C 2.182 178.057 176.000 -0.208 0.000 0.970 382 Q CA 1.207 56.905 55.803 -0.175 0.000 0.865 382 Q CB -0.681 27.959 28.738 -0.163 0.000 0.922 382 Q HN 0.476 nan 8.270 nan 0.000 0.445 383 L N -0.555 120.461 121.223 -0.345 0.000 2.095 383 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 383 L C 2.361 179.069 176.870 -0.269 0.000 1.080 383 L CA 0.926 55.551 54.840 -0.357 0.000 0.759 383 L CB -0.637 41.104 42.059 -0.530 0.000 0.914 383 L HN 0.044 nan 8.230 nan 0.000 0.439 384 Y N 0.457 120.549 120.300 -0.347 0.000 2.200 384 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 384 Y C 2.710 178.532 175.900 -0.129 0.000 1.137 384 Y CA 0.602 58.455 58.100 -0.411 0.000 1.163 384 Y CB -1.125 36.820 38.460 -0.859 0.000 0.988 384 Y HN 0.100 nan 8.280 nan 0.000 0.518 385 A N 0.261 123.102 122.820 0.035 0.000 1.877 385 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 385 A C 2.362 180.008 177.584 0.102 0.000 1.186 385 A CA 1.659 53.742 52.037 0.077 0.000 0.620 385 A CB -1.183 17.828 19.000 0.018 0.000 0.822 385 A HN 0.433 nan 8.150 nan 0.000 0.443 386 L N -1.261 119.980 121.223 0.030 0.000 1.990 386 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 386 L C 2.786 179.707 176.870 0.085 0.000 1.072 386 L CA 2.034 56.883 54.840 0.014 0.000 0.755 386 L CB -0.511 41.524 42.059 -0.041 0.000 0.889 386 L HN 0.396 nan 8.230 nan 0.000 0.432 387 R N -0.516 120.074 120.500 0.149 0.000 2.105 387 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 387 R C 1.907 178.356 176.300 0.249 0.000 1.135 387 R CA 1.741 57.973 56.100 0.219 0.000 0.967 387 R CB -0.417 30.103 30.300 0.367 0.000 0.861 387 R HN 0.381 nan 8.270 nan 0.000 0.442 388 Y N -1.413 118.970 120.300 0.138 0.000 2.466 388 Y HA 0.221 4.771 4.550 -0.000 0.000 0.272 388 Y C 1.278 177.335 175.900 0.260 0.000 1.169 388 Y CA 0.155 58.386 58.100 0.217 0.000 1.285 388 Y CB 0.978 39.585 38.460 0.245 0.000 1.078 388 Y HN 0.362 nan 8.280 nan 0.000 0.523 389 G N 0.263 109.208 108.800 0.242 0.000 2.147 389 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.244 389 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.244 389 G C -0.168 174.798 174.900 0.112 0.000 1.005 389 G CA 0.107 45.291 45.100 0.139 0.000 0.713 389 G HN 0.375 nan 8.290 nan 0.000 0.515 390 C N 1.980 121.364 119.300 0.140 0.000 2.273 390 C HA 0.678 5.138 4.460 -0.000 0.000 0.328 390 C C 0.867 175.874 174.990 0.028 0.000 1.275 390 C CA -1.606 57.480 59.018 0.113 0.000 1.704 390 C CB -0.649 27.175 27.740 0.140 0.000 2.326 390 C HN 0.374 nan 8.230 nan 0.000 0.517 391 I N 9.383 129.933 120.570 -0.033 0.000 2.517 391 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 391 I C -1.676 174.432 176.117 -0.015 0.000 1.106 391 I CA -2.465 58.755 61.300 -0.132 0.000 1.402 391 I CB 0.513 38.290 38.000 -0.372 0.000 1.399 391 I HN 0.514 nan 8.210 nan 0.000 0.535 392 P HA 0.202 nan 4.420 nan 0.000 0.280 392 P C -0.646 176.688 177.300 0.056 0.000 1.244 392 P CA -0.267 62.841 63.100 0.013 0.000 0.784 392 P CB 1.479 33.160 31.700 -0.032 0.000 0.913 393 V N 4.690 124.674 119.914 0.116 0.000 2.325 393 V HA 0.305 4.425 4.120 -0.000 0.000 0.280 393 V C 0.408 176.611 176.094 0.181 0.000 1.016 393 V CA -0.621 61.794 62.300 0.191 0.000 0.818 393 V CB 1.512 33.498 31.823 0.271 0.000 1.019 393 V HN 0.498 nan 8.190 nan 0.000 0.434 394 V N 2.181 122.151 119.914 0.093 0.000 2.876 394 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 394 V C 0.252 176.083 176.094 -0.437 0.000 1.085 394 V CA -0.866 61.390 62.300 -0.075 0.000 0.945 394 V CB 1.877 33.628 31.823 -0.120 0.000 1.017 394 V HN 0.892 nan 8.190 nan 0.000 0.428 395 A N 3.576 125.990 122.820 -0.677 0.000 2.407 395 A HA 0.526 4.846 4.320 -0.000 0.000 0.248 395 A C 0.602 177.858 177.584 -0.547 0.000 1.082 395 A CA -0.503 50.878 52.037 -1.094 0.000 0.785 395 A CB 0.050 18.623 19.000 -0.710 0.000 1.020 395 A HN 0.898 nan 8.150 nan 0.000 0.489 396 R N 1.544 121.770 120.500 -0.456 0.000 3.268 396 R HA 0.214 4.554 4.340 -0.000 0.000 0.217 396 R C -0.405 175.778 176.300 -0.195 0.000 1.568 396 R CA 0.453 56.404 56.100 -0.249 0.000 1.322 396 R CB -0.374 29.827 30.300 -0.164 0.000 1.280 396 R HN 0.799 nan 8.270 nan 0.000 0.667 397 T N -2.129 112.303 114.554 -0.205 0.000 2.916 397 T HA 0.549 4.899 4.350 -0.000 0.000 0.298 397 T C 0.837 175.409 174.700 -0.213 0.000 1.031 397 T CA -0.165 61.829 62.100 -0.177 0.000 0.993 397 T CB 2.290 71.073 68.868 -0.142 0.000 1.045 397 T HN 0.510 nan 8.240 nan 0.000 0.454 398 G N 2.773 111.438 108.800 -0.224 0.000 2.684 398 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.332 398 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.332 398 G C 1.291 176.075 174.900 -0.194 0.000 1.306 398 G CA 0.814 45.783 45.100 -0.218 0.000 1.002 398 G HN 1.823 nan 8.290 nan 0.000 0.545 399 G N -0.359 108.302 108.800 -0.232 0.000 2.450 399 G HA2 0.039 3.999 3.960 -0.000 0.000 0.220 399 G HA3 0.039 3.999 3.960 -0.000 0.000 0.220 399 G C 1.954 176.737 174.900 -0.195 0.000 1.130 399 G CA 1.432 46.409 45.100 -0.206 0.000 0.760 399 G HN 0.724 nan 8.290 nan 0.000 0.557 400 L N 0.580 121.679 121.223 -0.208 0.000 2.083 400 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 400 L C 3.296 180.065 176.870 -0.168 0.000 1.083 400 L CA 1.032 55.757 54.840 -0.190 0.000 0.752 400 L CB -0.393 41.544 42.059 -0.203 0.000 0.899 400 L HN 0.292 nan 8.230 nan 0.000 0.433 401 A N -0.740 121.982 122.820 -0.164 0.000 2.121 401 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 401 A C 1.704 179.218 177.584 -0.117 0.000 1.154 401 A CA 1.469 53.425 52.037 -0.136 0.000 0.679 401 A CB -0.272 18.652 19.000 -0.126 0.000 0.795 401 A HN 0.356 nan 8.150 nan 0.000 0.458 402 D N -1.146 119.179 120.400 -0.125 0.000 2.366 402 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 402 D C 1.407 177.636 176.300 -0.118 0.000 1.022 402 D CA 1.587 55.519 54.000 -0.114 0.000 0.868 402 D CB 0.126 40.856 40.800 -0.117 0.000 0.953 402 D HN 0.579 nan 8.370 nan 0.000 0.514 403 T N -2.128 112.348 114.554 -0.131 0.000 3.084 403 T HA 0.336 4.686 4.350 -0.000 0.000 0.270 403 T C 0.321 174.948 174.700 -0.122 0.000 1.008 403 T CA -0.298 61.721 62.100 -0.135 0.000 0.900 403 T CB 0.499 69.269 68.868 -0.164 0.000 1.084 403 T HN -0.244 nan 8.240 nan 0.000 0.538 404 V N 1.859 121.707 119.914 -0.110 0.000 2.656 404 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 404 V C -0.586 175.457 176.094 -0.085 0.000 1.051 404 V CA -1.199 61.043 62.300 -0.097 0.000 0.893 404 V CB 2.136 33.904 31.823 -0.091 0.000 0.999 404 V HN 0.411 nan 8.190 nan 0.000 0.426 405 I N 3.311 123.831 120.570 -0.083 0.000 2.291 405 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 405 I C 0.155 176.230 176.117 -0.070 0.000 1.050 405 I CA -0.260 60.995 61.300 -0.075 0.000 1.245 405 I CB 0.986 38.939 38.000 -0.079 0.000 1.405 405 I HN 0.626 nan 8.210 nan 0.000 0.478 406 D N 5.531 125.903 120.400 -0.048 0.000 2.443 406 D HA 0.142 4.782 4.640 -0.000 0.000 0.239 406 D C 0.362 176.639 176.300 -0.038 0.000 1.136 406 D CA -0.028 53.958 54.000 -0.023 0.000 0.879 406 D CB 1.135 41.938 40.800 0.005 0.000 1.195 406 D HN 0.624 nan 8.370 nan 0.000 0.443 407 A N 3.871 126.666 122.820 -0.042 0.000 3.056 407 A HA 0.194 4.513 4.320 -0.000 0.000 0.274 407 A C 0.061 177.632 177.584 -0.023 0.000 1.661 407 A CA -0.759 51.203 52.037 -0.126 0.000 1.363 407 A CB -0.966 17.830 19.000 -0.339 0.000 1.139 407 A HN 0.619 nan 8.150 nan 0.000 0.598 408 N N -0.308 118.397 118.700 0.008 0.000 2.476 408 N HA 0.118 4.858 4.740 -0.000 0.000 0.276 408 N C 0.787 176.340 175.510 0.072 0.000 1.204 408 N CA -0.350 52.744 53.050 0.074 0.000 0.974 408 N CB 0.130 38.660 38.487 0.072 0.000 1.204 408 N HN 0.443 nan 8.380 nan 0.000 0.543 409 H N 0.245 119.333 119.070 0.029 0.000 2.325 409 H HA -0.164 4.391 4.556 -0.000 0.000 0.293 409 H C 1.702 177.029 175.328 -0.002 0.000 1.106 409 H CA 3.268 59.328 56.048 0.020 0.000 1.247 409 H CB -0.415 29.364 29.762 0.028 0.000 1.359 409 H HN 0.710 nan 8.280 nan 0.000 0.488 410 A N 0.501 123.294 122.820 -0.045 0.000 1.898 410 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 410 A C 2.625 180.130 177.584 -0.131 0.000 1.181 410 A CA 1.647 53.612 52.037 -0.120 0.000 0.620 410 A CB -1.241 17.751 19.000 -0.013 0.000 0.819 410 A HN 0.649 nan 8.150 nan 0.000 0.442 411 A N -0.373 122.391 122.820 -0.093 0.000 1.929 411 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 411 A C 2.109 179.616 177.584 -0.127 0.000 1.176 411 A CA 1.277 53.256 52.037 -0.097 0.000 0.628 411 A CB -0.502 18.448 19.000 -0.083 0.000 0.816 411 A HN 0.456 nan 8.150 nan 0.000 0.444 412 L N -0.917 120.218 121.223 -0.147 0.000 2.156 412 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 412 L C 2.991 179.768 176.870 -0.155 0.000 1.095 412 L CA 0.875 55.621 54.840 -0.155 0.000 0.770 412 L CB -0.459 41.512 42.059 -0.148 0.000 0.914 412 L HN 0.432 nan 8.230 nan 0.000 0.439 413 A N -0.037 122.654 122.820 -0.215 0.000 1.968 413 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 413 A C 2.322 179.828 177.584 -0.130 0.000 1.169 413 A CA 1.689 53.602 52.037 -0.206 0.000 0.638 413 A CB -0.365 18.443 19.000 -0.320 0.000 0.812 413 A HN 0.485 nan 8.150 nan 0.000 0.446 414 S N -1.175 114.455 115.700 -0.117 0.000 2.556 414 S HA 0.207 4.677 4.470 -0.000 0.000 0.216 414 S C 0.420 174.972 174.600 -0.079 0.000 0.970 414 S CA 0.259 58.408 58.200 -0.084 0.000 0.912 414 S CB -0.302 62.854 63.200 -0.074 0.000 0.790 414 S HN 0.513 nan 8.310 nan 0.000 0.504 415 K N 0.383 120.728 120.400 -0.092 0.000 3.148 415 K HA -0.201 4.119 4.320 -0.000 0.000 0.267 415 K C 0.575 177.123 176.600 -0.087 0.000 0.996 415 K CA 0.512 56.745 56.287 -0.089 0.000 0.737 415 K CB -2.127 30.330 32.500 -0.071 0.000 1.308 415 K HN 0.579 nan 8.250 nan 0.000 0.470 416 A N -0.219 122.546 122.820 -0.093 0.000 2.382 416 A HA 0.484 4.804 4.320 -0.000 0.000 0.228 416 A C 0.834 178.359 177.584 -0.098 0.000 1.217 416 A CA 0.444 52.430 52.037 -0.086 0.000 0.923 416 A CB 0.525 19.480 19.000 -0.074 0.000 0.979 416 A HN 0.529 nan 8.150 nan 0.000 0.515 417 A N 0.505 123.253 122.820 -0.119 0.000 2.477 417 A HA 0.450 4.770 4.320 -0.000 0.000 0.246 417 A C 1.216 178.709 177.584 -0.151 0.000 1.078 417 A CA 0.812 52.768 52.037 -0.136 0.000 0.770 417 A CB -0.025 18.870 19.000 -0.175 0.000 1.011 417 A HN 0.745 nan 8.150 nan 0.000 0.494 418 T N -0.628 113.843 114.554 -0.139 0.000 3.003 418 T HA 0.547 4.897 4.350 -0.000 0.000 0.261 418 T C 0.686 175.288 174.700 -0.164 0.000 1.003 418 T CA 0.577 62.585 62.100 -0.154 0.000 0.917 418 T CB 0.122 68.917 68.868 -0.123 0.000 1.084 418 T HN 1.779 nan 8.240 nan 0.000 0.522 419 G N 0.415 109.135 108.800 -0.133 0.000 2.427 419 G HA2 0.498 4.457 3.960 -0.000 0.000 0.306 419 G HA3 0.498 4.457 3.960 -0.000 0.000 0.306 419 G C -2.165 172.726 174.900 -0.016 0.000 1.280 419 G CA -0.444 44.602 45.100 -0.091 0.000 0.837 419 G HN 0.261 nan 8.290 nan 0.000 0.482 420 V N 1.150 121.102 119.914 0.063 0.000 2.409 420 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 420 V C -0.311 175.861 176.094 0.130 0.000 1.020 420 V CA -0.551 61.837 62.300 0.147 0.000 0.848 420 V CB 1.040 33.013 31.823 0.250 0.000 0.990 420 V HN 0.710 nan 8.190 nan 0.000 0.430 421 Q N 4.335 124.196 119.800 0.103 0.000 2.348 421 Q HA 0.807 5.147 4.340 -0.000 0.000 0.271 421 Q C -1.228 174.853 176.000 0.135 0.000 1.067 421 Q CA -0.653 55.167 55.803 0.029 0.000 0.839 421 Q CB 3.079 31.786 28.738 -0.051 0.000 1.354 421 Q HN 0.750 nan 8.270 nan 0.000 0.447 422 F N -1.461 118.495 119.950 0.010 0.000 2.601 422 F HA 0.826 5.353 4.527 -0.000 0.000 0.309 422 F C -0.955 174.846 175.800 0.001 0.000 1.089 422 F CA -0.846 57.160 58.000 0.011 0.000 0.940 422 F CB 1.835 40.841 39.000 0.010 0.000 1.273 422 F HN 0.523 nan 8.300 nan 0.000 0.450 423 S N 1.563 117.376 115.700 0.188 0.000 2.537 423 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 423 S C -2.953 171.730 174.600 0.139 0.000 1.148 423 S CA -1.053 57.209 58.200 0.104 0.000 0.868 423 S CB 1.356 64.566 63.200 0.016 0.000 1.115 423 S HN 0.873 nan 8.310 nan 0.000 0.461 424 P HA 0.363 nan 4.420 nan 0.000 0.277 424 P C -0.636 176.774 177.300 0.182 0.000 1.276 424 P CA -0.559 62.605 63.100 0.106 0.000 0.788 424 P CB 0.360 32.111 31.700 0.084 0.000 1.114 425 V N 0.932 120.927 119.914 0.135 0.000 2.222 425 V HA 0.212 4.332 4.120 -0.000 0.000 0.253 425 V C 0.844 177.034 176.094 0.159 0.000 1.210 425 V CA 0.139 62.561 62.300 0.203 0.000 1.079 425 V CB -0.878 30.977 31.823 0.054 0.000 1.265 425 V HN 0.868 nan 8.190 nan 0.000 0.494 426 T N 0.389 115.044 114.554 0.168 0.000 2.864 426 T HA 0.525 4.875 4.350 -0.000 0.000 0.289 426 T C 0.553 175.245 174.700 -0.014 0.000 1.082 426 T CA -0.706 61.430 62.100 0.060 0.000 1.009 426 T CB 1.864 70.760 68.868 0.046 0.000 1.234 426 T HN 0.073 nan 8.240 nan 0.000 0.526 427 L N 0.731 121.934 121.223 -0.033 0.000 2.056 427 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 427 L C 1.874 178.672 176.870 -0.120 0.000 1.078 427 L CA 2.028 56.819 54.840 -0.082 0.000 0.749 427 L CB -1.289 40.742 42.059 -0.047 0.000 0.901 427 L HN 0.751 nan 8.230 nan 0.000 0.433 428 D N -0.402 119.953 120.400 -0.075 0.000 2.104 428 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 428 D C 2.130 178.359 176.300 -0.118 0.000 0.994 428 D CA 1.492 55.447 54.000 -0.076 0.000 0.830 428 D CB -0.558 40.223 40.800 -0.033 0.000 0.959 428 D HN 0.484 nan 8.370 nan 0.000 0.452 429 G N 0.483 109.219 108.800 -0.107 0.000 2.422 429 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 429 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 429 G C 1.561 176.127 174.900 -0.555 0.000 1.146 429 G CA 0.653 45.675 45.100 -0.129 0.000 0.769 429 G HN 0.251 nan 8.290 nan 0.000 0.547 430 L N 0.549 121.322 121.223 -0.749 0.000 2.027 430 L HA 0.153 4.493 4.340 -0.000 0.000 0.206 430 L C 2.640 179.189 176.870 -0.535 0.000 1.074 430 L CA 1.888 56.117 54.840 -1.018 0.000 0.745 430 L CB -0.592 41.088 42.059 -0.632 0.000 0.898 430 L HN 0.116 nan 8.230 nan 0.000 0.433 431 K N -0.924 119.278 120.400 -0.329 0.000 2.147 431 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 431 K C 2.184 178.670 176.600 -0.190 0.000 1.049 431 K CA 1.588 57.738 56.287 -0.228 0.000 0.936 431 K CB -0.121 32.282 32.500 -0.161 0.000 0.722 431 K HN 0.405 nan 8.250 nan 0.000 0.446 432 Q N 0.250 119.939 119.800 -0.184 0.000 2.079 432 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 432 Q C 2.029 177.971 176.000 -0.097 0.000 0.974 432 Q CA 1.656 57.391 55.803 -0.114 0.000 0.840 432 Q CB -0.082 28.611 28.738 -0.075 0.000 0.898 432 Q HN 0.363 nan 8.270 nan 0.000 0.430 433 A N 0.348 123.077 122.820 -0.152 0.000 1.902 433 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 433 A C 2.005 179.586 177.584 -0.005 0.000 1.181 433 A CA 1.341 53.357 52.037 -0.034 0.000 0.623 433 A CB -0.731 18.240 19.000 -0.049 0.000 0.818 433 A HN 0.427 nan 8.150 nan 0.000 0.443 434 I N -0.796 119.717 120.570 -0.096 0.000 2.179 434 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 434 I C 2.773 178.888 176.117 -0.004 0.000 1.088 434 I CA 1.461 62.722 61.300 -0.065 0.000 1.357 434 I CB -0.411 37.434 38.000 -0.258 0.000 1.051 434 I HN 0.329 nan 8.210 nan 0.000 0.409 435 R N 0.262 120.722 120.500 -0.066 0.000 2.091 435 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 435 R C 2.439 178.681 176.300 -0.097 0.000 1.136 435 R CA 1.208 57.272 56.100 -0.060 0.000 0.959 435 R CB -0.450 29.808 30.300 -0.071 0.000 0.856 435 R HN 0.358 nan 8.270 nan 0.000 0.437 436 R N 0.218 120.636 120.500 -0.137 0.000 2.073 436 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 436 R C 2.161 178.141 176.300 -0.534 0.000 1.134 436 R CA 1.943 57.819 56.100 -0.374 0.000 0.952 436 R CB -0.244 29.936 30.300 -0.199 0.000 0.850 436 R HN 0.214 nan 8.270 nan 0.000 0.433 437 T N 0.400 114.928 114.554 -0.043 0.000 2.699 437 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 437 T C 1.869 176.670 174.700 0.169 0.000 1.036 437 T CA 1.558 63.812 62.100 0.257 0.000 1.147 437 T CB -0.228 68.885 68.868 0.409 0.000 0.862 437 T HN 0.027 nan 8.240 nan 0.000 0.446 438 V N 1.431 121.383 119.914 0.063 0.000 2.307 438 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 438 V C 2.621 178.723 176.094 0.014 0.000 1.045 438 V CA 1.865 64.150 62.300 -0.026 0.000 1.024 438 V CB -0.650 31.208 31.823 0.059 0.000 0.651 438 V HN 0.379 nan 8.190 nan 0.000 0.449 439 R N -0.731 119.758 120.500 -0.019 0.000 2.083 439 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 439 R C 2.390 178.758 176.300 0.113 0.000 1.137 439 R CA 2.180 58.290 56.100 0.018 0.000 0.951 439 R CB -0.442 29.783 30.300 -0.125 0.000 0.851 439 R HN 0.502 nan 8.270 nan 0.000 0.434 440 Y N -0.526 119.895 120.300 0.202 0.000 2.165 440 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 440 Y C 2.180 178.242 175.900 0.270 0.000 1.155 440 Y CA 1.025 59.296 58.100 0.284 0.000 1.164 440 Y CB -1.318 37.379 38.460 0.395 0.000 0.978 440 Y HN 0.197 nan 8.280 nan 0.000 0.513 441 Y N 0.488 120.768 120.300 -0.033 0.000 2.207 441 Y HA -0.271 4.279 4.550 -0.000 0.000 0.287 441 Y C 2.134 177.739 175.900 -0.492 0.000 1.156 441 Y CA 1.923 59.564 58.100 -0.766 0.000 1.182 441 Y CB -0.515 37.239 38.460 -1.177 0.000 0.979 441 Y HN 0.180 nan 8.280 nan 0.000 0.521 442 H N -0.540 118.506 119.070 -0.041 0.000 2.556 442 H HA 0.060 4.616 4.556 -0.000 0.000 0.273 442 H C -0.142 175.157 175.328 -0.049 0.000 1.030 442 H CA 0.928 56.931 56.048 -0.076 0.000 1.156 442 H CB -0.303 29.464 29.762 0.009 0.000 1.326 442 H HN 0.301 nan 8.280 nan 0.000 0.609 443 D N 0.245 120.687 120.400 0.069 0.000 2.412 443 D HA 0.155 4.795 4.640 -0.000 0.000 0.276 443 D C -2.021 174.318 176.300 0.066 0.000 1.196 443 D CA -2.241 51.812 54.000 0.089 0.000 0.905 443 D CB 1.360 42.256 40.800 0.159 0.000 1.081 443 D HN -0.021 nan 8.370 nan 0.000 0.502 444 P HA -0.130 nan 4.420 nan 0.000 0.215 444 P C 1.108 178.441 177.300 0.056 0.000 1.153 444 P CA 1.250 64.339 63.100 -0.019 0.000 0.853 444 P CB 0.403 32.059 31.700 -0.073 0.000 0.788 445 K N -0.695 119.728 120.400 0.038 0.000 2.097 445 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 445 K C 2.120 178.744 176.600 0.040 0.000 1.049 445 K CA 1.051 57.357 56.287 0.031 0.000 0.933 445 K CB -0.795 31.716 32.500 0.018 0.000 0.717 445 K HN 0.168 nan 8.250 nan 0.000 0.442 446 L N 0.269 121.531 121.223 0.065 0.000 2.023 446 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 446 L C 2.315 179.224 176.870 0.064 0.000 1.073 446 L CA 1.114 55.982 54.840 0.047 0.000 0.745 446 L CB -0.295 41.805 42.059 0.069 0.000 0.900 446 L HN 0.414 nan 8.230 nan 0.000 0.435 447 W N 0.998 122.267 121.300 -0.052 0.000 2.335 447 W HA -0.283 4.377 4.660 -0.000 0.000 0.311 447 W C 2.512 178.997 176.519 -0.057 0.000 1.213 447 W CA 2.750 60.064 57.345 -0.051 0.000 1.274 447 W CB -0.542 28.867 29.460 -0.084 0.000 1.148 447 W HN 0.460 nan 8.180 nan 0.000 0.498 448 T N -1.337 113.297 114.554 0.134 0.000 2.867 448 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 448 T C 1.833 176.503 174.700 -0.049 0.000 1.057 448 T CA 1.628 63.753 62.100 0.042 0.000 1.136 448 T CB -0.675 68.228 68.868 0.059 0.000 0.874 448 T HN 0.376 nan 8.240 nan 0.000 0.466 449 Q N 0.517 120.286 119.800 -0.051 0.000 2.079 449 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 449 Q C 2.409 178.333 176.000 -0.127 0.000 0.974 449 Q CA 1.300 57.059 55.803 -0.073 0.000 0.840 449 Q CB -0.303 28.400 28.738 -0.059 0.000 0.898 449 Q HN 0.580 nan 8.270 nan 0.000 0.430 450 M N 0.129 119.610 119.600 -0.198 0.000 2.159 450 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 450 M C 2.220 178.365 176.300 -0.258 0.000 1.063 450 M CA 1.635 56.776 55.300 -0.265 0.000 1.110 450 M CB -0.118 32.236 32.600 -0.410 0.000 1.374 450 M HN 0.288 nan 8.290 nan 0.000 0.411 451 Q N 0.123 119.755 119.800 -0.279 0.000 2.016 451 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 451 Q C 2.028 177.971 176.000 -0.094 0.000 0.978 451 Q CA 1.363 57.047 55.803 -0.197 0.000 0.833 451 Q CB -0.068 28.578 28.738 -0.154 0.000 0.895 451 Q HN 0.466 nan 8.270 nan 0.000 0.427 452 K N 0.303 120.660 120.400 -0.072 0.000 2.063 452 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 452 K C 2.063 178.634 176.600 -0.047 0.000 1.048 452 K CA 0.980 57.244 56.287 -0.039 0.000 0.928 452 K CB -0.179 32.302 32.500 -0.032 0.000 0.713 452 K HN 0.069 nan 8.250 nan 0.000 0.442 453 L N 0.554 121.735 121.223 -0.071 0.000 2.027 453 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 453 L C 2.233 179.062 176.870 -0.068 0.000 1.074 453 L CA 1.880 56.678 54.840 -0.070 0.000 0.745 453 L CB -0.983 41.024 42.059 -0.087 0.000 0.898 453 L HN 0.208 nan 8.230 nan 0.000 0.433 454 G N -0.989 107.761 108.800 -0.083 0.000 2.422 454 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 454 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 454 G C 1.561 176.439 174.900 -0.037 0.000 1.146 454 G CA 0.994 46.051 45.100 -0.072 0.000 0.769 454 G HN 0.388 nan 8.290 nan 0.000 0.547 455 M N -0.090 119.497 119.600 -0.021 0.000 2.460 455 M HA 0.038 4.518 4.480 -0.000 0.000 0.263 455 M C 1.897 178.194 176.300 -0.005 0.000 1.071 455 M CA 1.025 56.328 55.300 0.005 0.000 1.096 455 M CB 0.053 32.666 32.600 0.022 0.000 1.408 455 M HN 0.111 nan 8.290 nan 0.000 0.463 456 K N -0.438 119.951 120.400 -0.018 0.000 2.374 456 K HA 0.156 4.476 4.320 -0.000 0.000 0.196 456 K C 0.069 176.655 176.600 -0.024 0.000 1.023 456 K CA -0.166 56.110 56.287 -0.019 0.000 1.103 456 K CB 0.327 32.813 32.500 -0.022 0.000 0.848 456 K HN 0.090 nan 8.250 nan 0.000 0.528 457 S N 2.035 117.716 115.700 -0.032 0.000 2.549 457 S HA -0.020 4.450 4.470 -0.000 0.000 0.283 457 S C -0.123 174.454 174.600 -0.038 0.000 1.320 457 S CA -0.368 57.806 58.200 -0.043 0.000 1.058 457 S CB 0.643 63.807 63.200 -0.060 0.000 0.882 457 S HN 0.154 nan 8.310 nan 0.000 0.498 458 D N 2.383 122.758 120.400 -0.041 0.000 2.365 458 D HA 0.189 4.829 4.640 -0.000 0.000 0.237 458 D C 0.596 176.857 176.300 -0.066 0.000 1.190 458 D CA -0.506 53.474 54.000 -0.034 0.000 0.867 458 D CB 0.578 41.366 40.800 -0.020 0.000 1.050 458 D HN 0.322 nan 8.370 nan 0.000 0.491 459 V N 1.557 121.426 119.914 -0.076 0.000 3.276 459 V HA 0.232 4.352 4.120 -0.000 0.000 0.319 459 V C 0.753 176.739 176.094 -0.179 0.000 1.427 459 V CA -0.162 62.050 62.300 -0.147 0.000 1.102 459 V CB -0.720 31.007 31.823 -0.160 0.000 1.020 459 V HN 0.433 nan 8.190 nan 0.000 0.456 460 S N -1.027 114.623 115.700 -0.084 0.000 2.584 460 S HA 0.167 4.637 4.470 -0.000 0.000 0.270 460 S C 0.537 175.100 174.600 -0.062 0.000 1.346 460 S CA 0.032 58.214 58.200 -0.031 0.000 1.018 460 S CB 0.419 63.660 63.200 0.068 0.000 0.899 460 S HN 0.542 nan 8.310 nan 0.000 0.542 461 W N 1.004 122.346 121.300 0.070 0.000 2.363 461 W HA -0.046 4.614 4.660 0.000 0.000 0.296 461 W C 2.501 179.095 176.519 0.124 0.000 1.212 461 W CA 1.170 58.567 57.345 0.086 0.000 1.260 461 W CB -0.249 29.263 29.460 0.086 0.000 1.131 461 W HN 0.852 nan 8.180 nan 0.000 0.530 462 E N 0.185 120.599 120.200 0.358 0.000 2.130 462 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 462 E C 1.887 178.723 176.600 0.394 0.000 0.998 462 E CA 1.556 58.171 56.400 0.359 0.000 0.806 462 E CB -0.271 29.546 29.700 0.196 0.000 0.738 462 E HN 0.093 nan 8.360 nan 0.000 0.459 463 K N 1.103 121.621 120.400 0.196 0.000 2.026 463 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 463 K C 2.212 178.839 176.600 0.044 0.000 1.048 463 K CA 1.774 58.117 56.287 0.093 0.000 0.929 463 K CB -0.528 31.982 32.500 0.016 0.000 0.713 463 K HN 0.004 nan 8.250 nan 0.000 0.439 464 S N -0.362 115.371 115.700 0.054 0.000 2.370 464 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 464 S C 2.037 176.762 174.600 0.209 0.000 1.033 464 S CA 1.456 59.698 58.200 0.070 0.000 1.011 464 S CB -0.623 62.605 63.200 0.047 0.000 0.852 464 S HN 0.450 nan 8.310 nan 0.000 0.457 465 A N 0.840 123.853 122.820 0.322 0.000 1.933 465 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 465 A C 2.399 179.869 177.584 -0.190 0.000 1.175 465 A CA 1.679 53.877 52.037 0.268 0.000 0.628 465 A CB -1.705 17.526 19.000 0.385 0.000 0.814 465 A HN 0.681 nan 8.150 nan 0.000 0.444 466 G N -0.239 108.245 108.800 -0.527 0.000 2.462 466 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 466 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 466 G C 1.478 176.149 174.900 -0.381 0.000 1.121 466 G CA 1.062 45.654 45.100 -0.847 0.000 0.758 466 G HN 0.461 nan 8.290 nan 0.000 0.559 467 L N -1.358 119.711 121.223 -0.256 0.000 2.179 467 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 467 L C 2.545 179.211 176.870 -0.341 0.000 1.096 467 L CA 0.479 55.157 54.840 -0.270 0.000 0.779 467 L CB -0.309 41.583 42.059 -0.277 0.000 0.922 467 L HN 0.133 nan 8.230 nan 0.000 0.443 468 Y N 0.064 120.175 120.300 -0.314 0.000 2.242 468 Y HA -0.191 4.359 4.550 0.000 0.000 0.291 468 Y C 2.650 178.078 175.900 -0.787 0.000 1.137 468 Y CA 1.142 58.931 58.100 -0.519 0.000 1.181 468 Y CB -0.609 37.540 38.460 -0.519 0.000 0.989 468 Y HN 0.113 nan 8.280 nan 0.000 0.527 469 A N 0.046 122.604 122.820 -0.436 0.000 1.902 469 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 469 A C 2.461 179.962 177.584 -0.138 0.000 1.181 469 A CA 1.890 53.755 52.037 -0.287 0.000 0.623 469 A CB -1.283 17.609 19.000 -0.179 0.000 0.818 469 A HN 0.401 nan 8.150 nan 0.000 0.443 470 A N -0.558 122.164 122.820 -0.164 0.000 1.908 470 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 470 A C 2.144 179.672 177.584 -0.094 0.000 1.181 470 A CA 1.848 53.820 52.037 -0.108 0.000 0.627 470 A CB -0.604 18.321 19.000 -0.125 0.000 0.818 470 A HN 0.711 nan 8.150 nan 0.000 0.445 471 L N -1.435 119.698 121.223 -0.151 0.000 2.027 471 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 471 L C 2.299 179.188 176.870 0.031 0.000 1.074 471 L CA 1.813 56.563 54.840 -0.149 0.000 0.745 471 L CB -1.041 40.851 42.059 -0.279 0.000 0.898 471 L HN 0.447 nan 8.230 nan 0.000 0.433 472 Y N 0.441 120.699 120.300 -0.069 0.000 2.053 472 Y HA -0.278 4.272 4.550 -0.000 0.000 0.277 472 Y C 3.169 179.047 175.900 -0.036 0.000 1.159 472 Y CA 1.424 59.499 58.100 -0.042 0.000 1.125 472 Y CB -1.721 36.740 38.460 0.003 0.000 0.969 472 Y HN 0.520 nan 8.280 nan 0.000 0.492 473 S N -0.280 115.509 115.700 0.149 0.000 2.399 473 S HA -0.270 4.200 4.470 -0.000 0.000 0.231 473 S C 1.990 176.611 174.600 0.035 0.000 1.022 473 S CA 1.540 59.784 58.200 0.073 0.000 0.983 473 S CB -0.591 62.639 63.200 0.050 0.000 0.803 473 S HN 0.644 nan 8.310 nan 0.000 0.480 474 Q N 0.612 120.423 119.800 0.019 0.000 2.079 474 Q HA -0.001 4.338 4.340 -0.000 0.000 0.200 474 Q C 2.239 178.242 176.000 0.004 0.000 0.974 474 Q CA 1.411 57.214 55.803 0.001 0.000 0.840 474 Q CB -0.223 28.501 28.738 -0.024 0.000 0.898 474 Q HN 0.681 nan 8.270 nan 0.000 0.430 475 L N 0.973 122.200 121.223 0.007 0.000 2.027 475 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 475 L C 2.389 179.255 176.870 -0.007 0.000 1.074 475 L CA 0.862 55.700 54.840 -0.003 0.000 0.745 475 L CB -0.611 41.441 42.059 -0.012 0.000 0.898 475 L HN 0.392 nan 8.230 nan 0.000 0.433 476 I N -2.236 118.333 120.570 -0.002 0.000 3.492 476 I HA 0.056 4.226 4.170 -0.000 0.000 0.305 476 I C 0.976 177.090 176.117 -0.005 0.000 1.256 476 I CA -0.007 61.286 61.300 -0.012 0.000 1.244 476 I CB -0.501 37.492 38.000 -0.010 0.000 1.001 476 I HN 0.316 nan 8.210 nan 0.000 0.536 477 S N 0.000 115.700 115.700 -0.001 0.000 2.498 477 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 477 S CA 0.000 58.201 58.200 0.001 0.000 1.107 477 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 477 S HN 0.000 nan 8.310 nan 0.000 0.517