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 1jqb_1_D DATA FIRST_RESID 4001 DATA SEQUENCE MKGFAMLGIN KLGWIEKERP VAGSYDAIVR PLAVSPCTSD IHTVFEGALG DATA SEQUENCE DRKNMILGHE AVGEVVEVGS EVKDFKPGDR VIVPCTTPDW RSLEVQAGFQ DATA SEQUENCE QHSNGMLAGW KFSNFKDGVF GEYFHVNDAD MNLAILPKDM PLENAVMITD DATA SEQUENCE MMTTGFHGAE LADIEMGSSV VVIGIGAVGL MGIAGAKLRG AGRIIGVGSR DATA SEQUENCE PICVEAAKFY GATDILNYKN GHIEDQVMKL TNGKGVDRVI MAGGGSETLS DATA SEQUENCE QAVKMVKPGG IISNINYHGS GDALLIPRVE WGCGMAHKTI KGGLCPGGRL DATA SEQUENCE RAERLRDMVV YNRVDLSKLV THVYHGFDHI EEALLLMKDK PKDLIKAVVI DATA SEQUENCE L 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 4001 M HA 0.000 nan 4.480 nan 0.000 0.227 4001 M C 0.000 176.380 176.300 0.134 0.000 1.140 4001 M CA 0.000 55.398 55.300 0.164 0.000 0.988 4001 M CB 0.000 32.759 32.600 0.266 0.000 1.302 4002 K N 0.197 120.666 120.400 0.116 0.000 2.123 4002 K HA 0.906 5.224 4.320 -0.003 0.000 0.259 4002 K C -0.448 176.303 176.600 0.251 0.000 0.960 4002 K CA -0.708 55.666 56.287 0.145 0.000 0.872 4002 K CB 2.186 34.685 32.500 -0.002 0.000 1.079 4002 K HN 0.873 nan 8.250 nan 0.000 0.440 4003 G N 1.157 110.168 108.800 0.352 0.000 2.742 4003 G HA2 0.401 4.359 3.960 -0.003 0.000 0.296 4003 G HA3 0.401 4.359 3.960 -0.003 0.000 0.296 4003 G C -2.051 172.843 174.900 -0.011 0.000 1.436 4003 G CA -0.640 44.601 45.100 0.235 0.000 0.928 4003 G HN 0.404 nan 8.290 nan 0.000 0.520 4004 F N 2.497 122.082 119.950 -0.610 0.000 2.375 4004 F HA 0.706 5.230 4.527 -0.004 0.000 0.362 4004 F C 0.454 176.062 175.800 -0.319 0.000 1.129 4004 F CA -0.606 56.845 58.000 -0.916 0.000 1.154 4004 F CB 0.655 38.860 39.000 -1.325 0.000 1.205 4004 F HN 0.671 nan 8.300 nan 0.000 0.513 4005 A N 6.497 128.963 122.820 -0.590 0.000 2.344 4005 A HA 0.706 5.024 4.320 -0.003 0.000 0.307 4005 A C -0.823 176.468 177.584 -0.487 0.000 1.151 4005 A CA -1.016 50.786 52.037 -0.392 0.000 0.842 4005 A CB 1.249 20.131 19.000 -0.197 0.000 1.350 4005 A HN 0.789 nan 8.150 nan 0.000 0.459 4006 M N 1.164 120.583 119.600 -0.301 0.000 2.084 4006 M HA 0.409 4.887 4.480 -0.003 0.000 0.351 4006 M C -1.470 174.707 176.300 -0.205 0.000 1.240 4006 M CA -0.543 54.591 55.300 -0.276 0.000 1.083 4006 M CB 0.079 32.554 32.600 -0.208 0.000 1.593 4006 M HN 0.390 nan 8.290 nan 0.000 0.463 4007 L N 6.201 127.304 121.223 -0.200 0.000 2.727 4007 L HA 0.496 4.834 4.340 -0.003 0.000 0.237 4007 L C 0.679 177.490 176.870 -0.099 0.000 1.370 4007 L CA 0.318 55.081 54.840 -0.128 0.000 1.248 4007 L CB -1.165 40.829 42.059 -0.108 0.000 1.556 4007 L HN 0.983 nan 8.230 nan 0.000 0.420 4008 G N 0.233 108.973 108.800 -0.099 0.000 2.699 4008 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.686 4008 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.686 4008 G C -0.210 174.633 174.900 -0.095 0.000 1.301 4008 G CA -0.596 44.459 45.100 -0.076 0.000 0.816 4008 G HN 0.324 nan 8.290 nan 0.000 0.595 4009 I N 1.414 121.944 120.570 -0.067 0.000 2.741 4009 I HA 0.160 4.328 4.170 -0.003 0.000 0.288 4009 I C 1.166 177.249 176.117 -0.057 0.000 1.192 4009 I CA 0.916 62.174 61.300 -0.069 0.000 1.426 4009 I CB -0.096 37.892 38.000 -0.020 0.000 1.367 4009 I HN 0.814 nan 8.210 nan 0.000 0.563 4010 N N 4.311 122.936 118.700 -0.124 0.000 2.967 4010 N HA -0.156 4.582 4.740 -0.003 0.000 0.241 4010 N C -0.930 174.598 175.510 0.029 0.000 0.983 4010 N CA 0.880 53.945 53.050 0.025 0.000 0.918 4010 N CB -0.613 37.973 38.487 0.166 0.000 1.109 4010 N HN 0.655 nan 8.380 nan 0.000 0.567 4011 K N 0.134 120.446 120.400 -0.145 0.000 2.527 4011 K HA 0.698 5.016 4.320 -0.003 0.000 0.260 4011 K C -0.549 175.937 176.600 -0.190 0.000 0.937 4011 K CA -0.657 55.582 56.287 -0.080 0.000 0.826 4011 K CB 2.223 34.703 32.500 -0.032 0.000 1.359 4011 K HN 0.152 nan 8.250 nan 0.000 0.434 4012 L N -2.248 118.877 121.223 -0.164 0.000 2.600 4012 L HA 0.978 5.316 4.340 -0.003 0.000 0.257 4012 L C -0.487 176.196 176.870 -0.311 0.000 1.048 4012 L CA -0.943 53.699 54.840 -0.331 0.000 0.869 4012 L CB 2.171 43.962 42.059 -0.446 0.000 1.482 4012 L HN 0.752 nan 8.230 nan 0.000 0.408 4013 G N -1.224 107.213 108.800 -0.605 0.000 2.316 4013 G HA2 0.321 4.279 3.960 -0.003 0.000 0.296 4013 G HA3 0.321 4.279 3.960 -0.003 0.000 0.296 4013 G C -2.624 172.079 174.900 -0.328 0.000 1.399 4013 G CA -0.916 44.008 45.100 -0.292 0.000 0.833 4013 G HN 0.691 nan 8.290 nan 0.000 0.565 4014 W N 0.584 121.929 121.300 0.074 0.000 2.238 4014 W HA 0.609 5.267 4.660 -0.004 0.000 0.321 4014 W C 1.062 177.582 176.519 0.001 0.000 1.293 4014 W CA 0.008 57.410 57.345 0.095 0.000 1.204 4014 W CB 0.869 30.395 29.460 0.110 0.000 1.167 4014 W HN 0.559 nan 8.180 nan 0.000 0.553 4015 I N -1.006 119.695 120.570 0.218 0.000 3.145 4015 I HA 0.576 4.744 4.170 -0.003 0.000 0.313 4015 I C -0.471 175.729 176.117 0.139 0.000 1.122 4015 I CA -1.467 59.907 61.300 0.124 0.000 0.987 4015 I CB 2.134 40.157 38.000 0.038 0.000 1.236 4015 I HN 0.088 nan 8.210 nan 0.000 0.453 4016 E N 2.391 122.646 120.200 0.092 0.000 2.156 4016 E HA 0.499 4.847 4.350 -0.003 0.000 0.279 4016 E C -1.366 175.279 176.600 0.075 0.000 0.965 4016 E CA -0.484 55.967 56.400 0.084 0.000 0.789 4016 E CB 1.977 31.713 29.700 0.060 0.000 1.098 4016 E HN 0.489 nan 8.360 nan 0.000 0.397 4017 K N 1.829 122.283 120.400 0.091 0.000 2.469 4017 K HA 0.219 4.537 4.320 -0.003 0.000 0.254 4017 K C -0.986 175.671 176.600 0.095 0.000 0.939 4017 K CA -0.762 55.576 56.287 0.085 0.000 0.812 4017 K CB 1.437 33.994 32.500 0.095 0.000 1.301 4017 K HN 0.275 nan 8.250 nan 0.000 0.433 4018 E N 2.132 122.378 120.200 0.078 0.000 2.384 4018 E HA 0.027 4.375 4.350 -0.003 0.000 0.266 4018 E C -0.691 175.969 176.600 0.099 0.000 1.012 4018 E CA 0.055 56.500 56.400 0.075 0.000 0.901 4018 E CB 0.568 30.300 29.700 0.053 0.000 0.967 4018 E HN 0.445 nan 8.360 nan 0.000 0.435 4019 R N 5.844 126.406 120.500 0.103 0.000 2.449 4019 R HA 0.142 4.480 4.340 -0.003 0.000 0.296 4019 R C -1.828 174.526 176.300 0.090 0.000 1.047 4019 R CA -1.273 54.900 56.100 0.120 0.000 1.018 4019 R CB 0.213 30.557 30.300 0.073 0.000 0.962 4019 R HN 0.508 nan 8.270 nan 0.000 0.428 4020 P HA -0.023 nan 4.420 nan 0.000 0.269 4020 P C -0.724 176.641 177.300 0.108 0.000 1.215 4020 P CA -0.190 62.987 63.100 0.129 0.000 0.780 4020 P CB 0.939 32.762 31.700 0.206 0.000 0.898 4021 V N -1.274 118.708 119.914 0.114 0.000 2.581 4021 V HA 0.775 4.893 4.120 -0.003 0.000 0.303 4021 V C 0.096 176.289 176.094 0.165 0.000 1.041 4021 V CA -1.405 60.950 62.300 0.091 0.000 0.907 4021 V CB 1.095 32.950 31.823 0.052 0.000 0.994 4021 V HN 0.718 nan 8.190 nan 0.000 0.442 4022 A N 3.168 126.051 122.820 0.105 0.000 2.401 4022 A HA 0.752 5.070 4.320 -0.003 0.000 0.259 4022 A C 0.816 178.463 177.584 0.104 0.000 1.103 4022 A CA 0.342 52.438 52.037 0.099 0.000 0.789 4022 A CB 0.148 19.148 19.000 -0.000 0.000 1.035 4022 A HN 1.721 nan 8.150 nan 0.000 0.491 4023 G N 0.135 109.032 108.800 0.162 0.000 2.621 4023 G HA2 0.345 4.303 3.960 -0.003 0.000 0.271 4023 G HA3 0.345 4.303 3.960 -0.003 0.000 0.271 4023 G C 1.214 176.158 174.900 0.074 0.000 1.236 4023 G CA 0.396 45.578 45.100 0.136 0.000 0.958 4023 G HN 0.889 nan 8.290 nan 0.000 0.512 4024 S N -1.451 114.278 115.700 0.050 0.000 2.402 4024 S HA -0.156 4.312 4.470 -0.003 0.000 0.233 4024 S C 1.520 175.974 174.600 -0.244 0.000 1.030 4024 S CA 1.638 59.775 58.200 -0.106 0.000 1.003 4024 S CB -0.337 62.782 63.200 -0.136 0.000 0.813 4024 S HN 0.521 nan 8.310 nan 0.000 0.477 4025 Y N 0.962 121.292 120.300 0.050 0.000 2.531 4025 Y HA 0.372 4.919 4.550 -0.004 0.000 0.249 4025 Y C 0.339 176.259 175.900 0.033 0.000 1.168 4025 Y CA -0.794 57.337 58.100 0.051 0.000 1.226 4025 Y CB 0.386 38.885 38.460 0.065 0.000 1.177 4025 Y HN 0.204 nan 8.280 nan 0.000 0.527 4026 D N 0.191 120.656 120.400 0.108 0.000 2.487 4026 D HA 0.673 5.311 4.640 -0.003 0.000 0.262 4026 D C -0.403 175.849 176.300 -0.080 0.000 1.130 4026 D CA -0.448 53.534 54.000 -0.029 0.000 1.038 4026 D CB 1.759 42.470 40.800 -0.148 0.000 1.142 4026 D HN 0.028 nan 8.370 nan 0.000 0.575 4027 A N 0.229 122.943 122.820 -0.178 0.000 2.515 4027 A HA 0.554 4.871 4.320 -0.003 0.000 0.298 4027 A C -1.288 176.193 177.584 -0.171 0.000 1.059 4027 A CA -0.654 51.306 52.037 -0.129 0.000 0.698 4027 A CB 1.269 20.211 19.000 -0.097 0.000 1.289 4027 A HN 0.349 nan 8.150 nan 0.000 0.404 4028 I N 2.017 122.513 120.570 -0.124 0.000 2.359 4028 I HA 0.525 4.692 4.170 -0.003 0.000 0.294 4028 I C -0.374 175.635 176.117 -0.180 0.000 0.987 4028 I CA -0.570 60.658 61.300 -0.120 0.000 1.225 4028 I CB 1.050 38.996 38.000 -0.091 0.000 1.366 4028 I HN 0.313 nan 8.210 nan 0.000 0.466 4029 V N 6.854 126.542 119.914 -0.378 0.000 2.735 4029 V HA 0.543 4.661 4.120 -0.003 0.000 0.310 4029 V C -0.051 175.709 176.094 -0.556 0.000 1.061 4029 V CA -0.979 61.004 62.300 -0.528 0.000 0.913 4029 V CB 2.541 33.871 31.823 -0.821 0.000 1.005 4029 V HN 0.810 nan 8.190 nan 0.000 0.428 4030 R N 4.288 124.668 120.500 -0.200 0.000 2.393 4030 R HA 0.619 4.957 4.340 -0.003 0.000 0.310 4030 R C -2.874 173.373 176.300 -0.088 0.000 0.968 4030 R CA -1.838 54.195 56.100 -0.112 0.000 0.867 4030 R CB 1.833 32.114 30.300 -0.032 0.000 1.124 4030 R HN 0.421 nan 8.270 nan 0.000 0.450 4031 P HA 0.015 nan 4.420 nan 0.000 0.271 4031 P C -0.139 177.128 177.300 -0.056 0.000 1.216 4031 P CA -0.203 62.942 63.100 0.075 0.000 0.776 4031 P CB 1.149 32.910 31.700 0.101 0.000 0.881 4032 L N 1.407 122.615 121.223 -0.025 0.000 2.537 4032 L HA 0.395 4.733 4.340 -0.003 0.000 0.224 4032 L C 1.010 177.843 176.870 -0.063 0.000 1.065 4032 L CA 0.407 55.220 54.840 -0.044 0.000 0.860 4032 L CB 0.194 42.247 42.059 -0.010 0.000 1.086 4032 L HN 0.442 nan 8.230 nan 0.000 0.482 4033 A N 0.215 123.007 122.820 -0.047 0.000 2.555 4033 A HA 0.629 4.947 4.320 -0.003 0.000 0.297 4033 A C -1.088 176.480 177.584 -0.027 0.000 1.060 4033 A CA -0.448 51.555 52.037 -0.056 0.000 0.710 4033 A CB 1.515 20.489 19.000 -0.043 0.000 1.282 4033 A HN -0.100 nan 8.150 nan 0.000 0.399 4034 V N -1.156 118.746 119.914 -0.020 0.000 3.160 4034 V HA 1.009 5.127 4.120 -0.003 0.000 0.310 4034 V C -0.335 175.799 176.094 0.068 0.000 1.181 4034 V CA -0.311 62.022 62.300 0.055 0.000 1.047 4034 V CB 1.577 33.525 31.823 0.209 0.000 1.068 4034 V HN 1.804 nan 8.190 nan 0.000 0.441 4035 S N 2.105 117.879 115.700 0.123 0.000 2.548 4035 S HA 0.772 5.240 4.470 -0.003 0.000 0.276 4035 S C -3.146 171.553 174.600 0.165 0.000 1.129 4035 S CA -1.101 57.151 58.200 0.087 0.000 0.931 4035 S CB 2.479 65.692 63.200 0.022 0.000 1.068 4035 S HN 0.979 nan 8.310 nan 0.000 0.480 4036 P HA 0.378 nan 4.420 nan 0.000 0.282 4036 P C -0.773 176.550 177.300 0.040 0.000 1.249 4036 P CA -0.449 62.764 63.100 0.189 0.000 0.806 4036 P CB 0.924 32.679 31.700 0.091 0.000 0.984 4037 C N 2.318 121.616 119.300 -0.003 0.000 2.493 4037 C HA 0.399 4.857 4.460 -0.003 0.000 0.326 4037 C C 2.294 177.305 174.990 0.035 0.000 1.200 4037 C CA 0.217 59.230 59.018 -0.008 0.000 1.739 4037 C CB 0.699 28.411 27.740 -0.047 0.000 2.300 4037 C HN 0.814 nan 8.230 nan 0.000 0.500 4038 T N 1.103 115.665 114.554 0.015 0.000 2.881 4038 T HA -0.112 4.236 4.350 -0.003 0.000 0.270 4038 T C 1.565 176.232 174.700 -0.056 0.000 1.068 4038 T CA 2.025 64.095 62.100 -0.050 0.000 1.131 4038 T CB -0.334 68.484 68.868 -0.083 0.000 0.871 4038 T HN 0.671 nan 8.240 nan 0.000 0.479 4039 S N 1.778 117.550 115.700 0.119 0.000 2.382 4039 S HA -0.102 4.366 4.470 -0.003 0.000 0.228 4039 S C 1.707 176.508 174.600 0.336 0.000 1.027 4039 S CA 1.270 59.656 58.200 0.311 0.000 0.991 4039 S CB -0.545 62.945 63.200 0.484 0.000 0.823 4039 S HN 0.524 nan 8.310 nan 0.000 0.469 4040 D N 0.959 121.519 120.400 0.266 0.000 2.310 4040 D HA 0.020 4.657 4.640 -0.003 0.000 0.212 4040 D C 1.521 177.890 176.300 0.114 0.000 0.965 4040 D CA 0.459 54.589 54.000 0.218 0.000 0.879 4040 D CB -0.082 40.813 40.800 0.159 0.000 0.921 4040 D HN 0.285 nan 8.370 nan 0.000 0.510 4041 I N 0.149 120.760 120.570 0.067 0.000 2.584 4041 I HA -0.126 4.042 4.170 -0.003 0.000 0.255 4041 I C 2.019 178.171 176.117 0.058 0.000 1.145 4041 I CA 0.823 62.170 61.300 0.079 0.000 1.462 4041 I CB -0.774 37.249 38.000 0.039 0.000 1.102 4041 I HN 0.129 nan 8.210 nan 0.000 0.433 4042 H N 0.799 119.873 119.070 0.007 0.000 2.326 4042 H HA -0.041 4.513 4.556 -0.004 0.000 0.301 4042 H C 2.160 177.502 175.328 0.025 0.000 1.081 4042 H CA 1.815 57.812 56.048 -0.084 0.000 1.334 4042 H CB -0.362 29.116 29.762 -0.474 0.000 1.385 4042 H HN 0.208 nan 8.280 nan 0.000 0.504 4043 T N 0.669 115.370 114.554 0.245 0.000 2.788 4043 T HA -0.067 4.281 4.350 -0.003 0.000 0.268 4043 T C 2.329 177.055 174.700 0.044 0.000 1.044 4043 T CA 1.119 63.341 62.100 0.203 0.000 1.139 4043 T CB -0.223 68.794 68.868 0.249 0.000 0.867 4043 T HN 0.039 nan 8.240 nan 0.000 0.454 4044 V N 0.370 120.242 119.914 -0.069 0.000 2.278 4044 V HA 0.047 4.165 4.120 -0.003 0.000 0.238 4044 V C 1.753 177.654 176.094 -0.322 0.000 1.039 4044 V CA 1.305 63.416 62.300 -0.315 0.000 1.017 4044 V CB -0.576 30.853 31.823 -0.657 0.000 0.657 4044 V HN 0.366 nan 8.190 nan 0.000 0.462 4045 F N 0.066 120.037 119.950 0.034 0.000 2.802 4045 F HA 0.145 4.671 4.527 -0.002 0.000 0.300 4045 F C 1.988 177.813 175.800 0.041 0.000 1.168 4045 F CA 0.410 58.426 58.000 0.027 0.000 1.433 4045 F CB -0.125 38.882 39.000 0.011 0.000 1.115 4045 F HN 0.218 nan 8.300 nan 0.000 0.582 4046 E N -1.132 119.172 120.200 0.172 0.000 2.500 4046 E HA 0.183 4.531 4.350 -0.003 0.000 0.217 4046 E C 1.770 178.432 176.600 0.104 0.000 0.848 4046 E CA 0.730 57.218 56.400 0.146 0.000 1.217 4046 E CB 0.146 29.953 29.700 0.177 0.000 1.217 4046 E HN 0.153 nan 8.360 nan 0.000 0.573 4047 G N 2.258 111.111 108.800 0.088 0.000 2.321 4047 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.287 4047 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.287 4047 G C 1.133 176.093 174.900 0.100 0.000 1.018 4047 G CA 0.766 45.910 45.100 0.073 0.000 0.855 4047 G HN 0.398 nan 8.290 nan 0.000 0.507 4048 A N -1.098 121.808 122.820 0.142 0.000 2.131 4048 A HA 0.241 4.559 4.320 -0.003 0.000 0.220 4048 A C 2.099 179.804 177.584 0.200 0.000 1.158 4048 A CA 1.591 53.729 52.037 0.169 0.000 0.665 4048 A CB -0.072 19.036 19.000 0.180 0.000 0.795 4048 A HN 0.891 nan 8.150 nan 0.000 0.460 4049 L N -1.586 119.751 121.223 0.189 0.000 2.857 4049 L HA 0.412 4.750 4.340 -0.003 0.000 0.249 4049 L C 0.979 177.889 176.870 0.067 0.000 1.172 4049 L CA 0.186 55.106 54.840 0.134 0.000 0.980 4049 L CB -0.211 41.934 42.059 0.144 0.000 1.299 4049 L HN 0.557 nan 8.230 nan 0.000 0.535 4050 G N 0.588 109.424 108.800 0.059 0.000 2.592 4050 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.684 4050 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.684 4050 G C -1.149 173.762 174.900 0.018 0.000 1.291 4050 G CA -0.607 44.509 45.100 0.028 0.000 0.891 4050 G HN 0.187 nan 8.290 nan 0.000 0.544 4051 D N -0.290 120.112 120.400 0.003 0.000 2.354 4051 D HA 0.721 5.359 4.640 -0.003 0.000 0.247 4051 D C 0.684 176.974 176.300 -0.016 0.000 1.138 4051 D CA -0.106 53.889 54.000 -0.008 0.000 0.958 4051 D CB 0.508 41.301 40.800 -0.011 0.000 1.144 4051 D HN 0.555 nan 8.370 nan 0.000 0.458 4052 R N 1.219 121.703 120.500 -0.028 0.000 2.734 4052 R HA 0.485 4.823 4.340 -0.003 0.000 0.271 4052 R C -1.262 175.012 176.300 -0.044 0.000 1.021 4052 R CA -0.903 55.177 56.100 -0.034 0.000 0.893 4052 R CB 1.466 31.742 30.300 -0.040 0.000 1.244 4052 R HN 0.527 nan 8.270 nan 0.000 0.464 4053 K N 1.274 121.648 120.400 -0.043 0.000 2.581 4053 K HA 0.277 4.595 4.320 -0.003 0.000 0.249 4053 K C -0.839 175.732 176.600 -0.048 0.000 0.966 4053 K CA -0.367 55.892 56.287 -0.047 0.000 0.811 4053 K CB 0.736 33.215 32.500 -0.035 0.000 1.223 4053 K HN 0.596 nan 8.250 nan 0.000 0.438 4054 N N 2.641 121.303 118.700 -0.064 0.000 2.758 4054 N HA -0.218 4.520 4.740 -0.003 0.000 0.248 4054 N C -0.937 174.541 175.510 -0.054 0.000 1.076 4054 N CA 1.066 54.079 53.050 -0.060 0.000 0.696 4054 N CB -0.887 37.581 38.487 -0.033 0.000 0.979 4054 N HN 0.695 nan 8.380 nan 0.000 0.550 4055 M N 1.009 120.565 119.600 -0.072 0.000 2.080 4055 M HA 0.334 4.812 4.480 -0.003 0.000 0.350 4055 M C 0.059 176.314 176.300 -0.075 0.000 1.173 4055 M CA -0.498 54.767 55.300 -0.059 0.000 1.052 4055 M CB 0.573 33.137 32.600 -0.061 0.000 1.577 4055 M HN 0.059 nan 8.290 nan 0.000 0.455 4056 I N 6.074 126.620 120.570 -0.039 0.000 2.668 4056 I HA -0.025 4.143 4.170 -0.003 0.000 0.285 4056 I C 0.089 176.175 176.117 -0.053 0.000 1.168 4056 I CA 0.041 61.325 61.300 -0.027 0.000 1.424 4056 I CB 0.219 38.248 38.000 0.049 0.000 1.377 4056 I HN 0.715 nan 8.210 nan 0.000 0.560 4057 L N 5.459 126.656 121.223 -0.044 0.000 2.490 4057 L HA 0.630 4.967 4.340 -0.003 0.000 0.245 4057 L C 0.780 177.282 176.870 -0.612 0.000 1.185 4057 L CA -0.428 54.341 54.840 -0.117 0.000 0.813 4057 L CB 0.262 42.362 42.059 0.069 0.000 1.233 4057 L HN 0.845 nan 8.230 nan 0.000 0.489 4058 G N 0.155 108.452 108.800 -0.838 0.000 2.879 4058 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.686 4058 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.686 4058 G C -0.409 174.023 174.900 -0.780 0.000 1.115 4058 G CA -0.056 44.134 45.100 -1.516 0.000 0.770 4058 G HN 1.125 nan 8.290 nan 0.000 0.601 4059 H N -0.172 118.609 119.070 -0.480 0.000 3.109 4059 H HA 0.365 4.919 4.556 -0.004 0.000 0.248 4059 H C -0.284 174.885 175.328 -0.266 0.000 1.177 4059 H CA 0.106 55.971 56.048 -0.306 0.000 0.977 4059 H CB 0.579 30.438 29.762 0.161 0.000 2.165 4059 H HN 0.553 nan 8.280 nan 0.000 0.693 4060 E N 1.659 121.648 120.200 -0.352 0.000 2.267 4060 E HA 0.695 5.042 4.350 -0.003 0.000 0.248 4060 E C -1.098 175.396 176.600 -0.177 0.000 0.899 4060 E CA -0.634 55.656 56.400 -0.185 0.000 0.764 4060 E CB 2.172 31.789 29.700 -0.139 0.000 1.227 4060 E HN 0.509 nan 8.360 nan 0.000 0.421 4061 A N 1.905 124.622 122.820 -0.172 0.000 2.612 4061 A HA 0.720 5.037 4.320 -0.003 0.000 0.293 4061 A C -1.373 176.207 177.584 -0.007 0.000 1.075 4061 A CA -0.579 51.399 52.037 -0.099 0.000 0.680 4061 A CB 1.654 20.551 19.000 -0.172 0.000 1.279 4061 A HN 0.266 nan 8.150 nan 0.000 0.411 4062 V N 0.334 120.270 119.914 0.038 0.000 2.735 4062 V HA 0.892 5.010 4.120 -0.003 0.000 0.310 4062 V C 0.615 176.758 176.094 0.082 0.000 1.061 4062 V CA 0.456 62.790 62.300 0.056 0.000 0.913 4062 V CB 1.796 33.635 31.823 0.026 0.000 1.005 4062 V HN 1.747 nan 8.190 nan 0.000 0.428 4063 G N 2.524 111.374 108.800 0.082 0.000 2.706 4063 G HA2 0.617 4.575 3.960 -0.003 0.000 0.307 4063 G HA3 0.617 4.575 3.960 -0.003 0.000 0.307 4063 G C -1.698 173.211 174.900 0.015 0.000 1.307 4063 G CA -0.391 44.738 45.100 0.048 0.000 0.790 4063 G HN 0.622 nan 8.290 nan 0.000 0.503 4064 E N -0.227 119.967 120.200 -0.010 0.000 2.187 4064 E HA 0.518 4.866 4.350 -0.003 0.000 0.268 4064 E C -0.692 175.895 176.600 -0.021 0.000 0.896 4064 E CA -0.609 55.792 56.400 0.002 0.000 0.766 4064 E CB 2.158 31.868 29.700 0.018 0.000 1.142 4064 E HN 0.222 nan 8.360 nan 0.000 0.408 4065 V N 4.990 124.900 119.914 -0.006 0.000 2.529 4065 V HA -0.010 4.108 4.120 -0.003 0.000 0.292 4065 V C 0.929 177.021 176.094 -0.003 0.000 1.028 4065 V CA 0.143 62.431 62.300 -0.021 0.000 1.074 4065 V CB 1.154 32.990 31.823 0.022 0.000 0.958 4065 V HN 0.693 nan 8.190 nan 0.000 0.481 4066 V N 3.439 123.340 119.914 -0.021 0.000 3.379 4066 V HA 0.246 4.364 4.120 -0.003 0.000 0.249 4066 V C 0.597 176.667 176.094 -0.040 0.000 1.184 4066 V CA 0.644 62.936 62.300 -0.014 0.000 1.106 4066 V CB 0.357 32.176 31.823 -0.007 0.000 0.826 4066 V HN 0.956 nan 8.190 nan 0.000 0.465 4067 E N 0.380 120.549 120.200 -0.052 0.000 2.352 4067 E HA 0.528 4.876 4.350 -0.003 0.000 0.280 4067 E C -1.799 174.779 176.600 -0.037 0.000 0.930 4067 E CA -0.363 56.008 56.400 -0.048 0.000 0.765 4067 E CB 2.778 32.433 29.700 -0.074 0.000 1.219 4067 E HN 0.047 nan 8.360 nan 0.000 0.434 4068 V N 0.288 120.190 119.914 -0.020 0.000 3.007 4068 V HA 0.884 5.002 4.120 -0.003 0.000 0.311 4068 V C 0.358 176.440 176.094 -0.021 0.000 1.120 4068 V CA -0.314 61.980 62.300 -0.010 0.000 0.980 4068 V CB 1.429 33.268 31.823 0.027 0.000 1.033 4068 V HN 0.711 nan 8.190 nan 0.000 0.429 4069 G N 1.370 110.153 108.800 -0.027 0.000 2.636 4069 G HA2 0.371 4.329 3.960 -0.003 0.000 0.246 4069 G HA3 0.371 4.329 3.960 -0.003 0.000 0.246 4069 G C 1.081 175.929 174.900 -0.087 0.000 1.216 4069 G CA 0.184 45.251 45.100 -0.056 0.000 0.854 4069 G HN 1.746 nan 8.290 nan 0.000 0.572 4070 S N -0.616 115.019 115.700 -0.109 0.000 2.442 4070 S HA -0.076 4.392 4.470 -0.003 0.000 0.236 4070 S C 1.329 175.833 174.600 -0.160 0.000 1.007 4070 S CA 1.459 59.594 58.200 -0.110 0.000 0.965 4070 S CB 0.031 63.174 63.200 -0.094 0.000 0.773 4070 S HN 0.529 nan 8.310 nan 0.000 0.504 4071 E N 0.939 120.961 120.200 -0.296 0.000 2.474 4071 E HA 0.288 4.636 4.350 -0.003 0.000 0.195 4071 E C -0.149 176.333 176.600 -0.196 0.000 1.039 4071 E CA -0.095 56.079 56.400 -0.378 0.000 0.881 4071 E CB 0.417 29.527 29.700 -0.983 0.000 0.970 4071 E HN 0.377 nan 8.360 nan 0.000 0.486 4072 V N 2.794 122.649 119.914 -0.099 0.000 2.521 4072 V HA 0.005 4.123 4.120 -0.003 0.000 0.286 4072 V C 1.300 177.415 176.094 0.034 0.000 1.034 4072 V CA 0.418 62.740 62.300 0.036 0.000 1.045 4072 V CB 1.072 32.937 31.823 0.071 0.000 0.974 4072 V HN 0.017 nan 8.190 nan 0.000 0.480 4073 K N 2.130 122.563 120.400 0.056 0.000 2.387 4073 K HA 0.166 4.484 4.320 -0.003 0.000 0.197 4073 K C 0.668 177.243 176.600 -0.041 0.000 1.127 4073 K CA 0.278 56.570 56.287 0.009 0.000 0.950 4073 K CB 0.370 32.875 32.500 0.009 0.000 1.017 4073 K HN 0.580 nan 8.250 nan 0.000 0.519 4074 D N -0.197 120.161 120.400 -0.069 0.000 2.349 4074 D HA 0.133 4.771 4.640 -0.003 0.000 0.214 4074 D C -0.294 175.598 176.300 -0.680 0.000 1.063 4074 D CA 0.238 54.033 54.000 -0.341 0.000 0.847 4074 D CB 0.263 40.807 40.800 -0.426 0.000 0.933 4074 D HN -0.013 nan 8.370 nan 0.000 0.513 4075 F N 0.753 120.707 119.950 0.007 0.000 2.576 4075 F HA 0.370 4.895 4.527 -0.003 0.000 0.313 4075 F C 0.275 176.074 175.800 -0.003 0.000 1.078 4075 F CA -1.107 56.895 58.000 0.005 0.000 0.921 4075 F CB 2.137 41.145 39.000 0.012 0.000 1.232 4075 F HN -0.366 nan 8.300 nan 0.000 0.459 4076 K N 0.592 121.095 120.400 0.172 0.000 2.533 4076 K HA 0.672 4.990 4.320 -0.003 0.000 0.272 4076 K C -3.411 173.236 176.600 0.078 0.000 0.985 4076 K CA -2.322 54.018 56.287 0.088 0.000 0.876 4076 K CB 1.948 34.471 32.500 0.038 0.000 1.452 4076 K HN 0.106 nan 8.250 nan 0.000 0.439 4077 P HA 0.018 nan 4.420 nan 0.000 0.265 4077 P C 0.471 177.793 177.300 0.036 0.000 1.193 4077 P CA 1.634 64.753 63.100 0.032 0.000 0.765 4077 P CB 0.581 32.290 31.700 0.015 0.000 0.823 4078 G N 2.104 110.927 108.800 0.039 0.000 2.279 4078 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.223 4078 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.223 4078 G C -0.068 174.862 174.900 0.050 0.000 1.015 4078 G CA -0.395 44.728 45.100 0.038 0.000 0.621 4078 G HN 0.500 nan 8.290 nan 0.000 0.506 4079 D N 1.683 122.127 120.400 0.074 0.000 2.424 4079 D HA 0.398 5.036 4.640 -0.003 0.000 0.244 4079 D C 0.880 177.235 176.300 0.091 0.000 1.134 4079 D CA 0.267 54.330 54.000 0.105 0.000 0.881 4079 D CB 0.495 41.417 40.800 0.203 0.000 1.191 4079 D HN 0.366 nan 8.370 nan 0.000 0.445 4080 R N 1.204 121.753 120.500 0.083 0.000 2.312 4080 R HA 0.497 4.835 4.340 -0.003 0.000 0.311 4080 R C -0.258 176.092 176.300 0.083 0.000 1.004 4080 R CA -0.810 55.328 56.100 0.063 0.000 0.902 4080 R CB 1.381 31.709 30.300 0.047 0.000 1.073 4080 R HN 0.277 nan 8.270 nan 0.000 0.457 4081 V N 0.105 120.056 119.914 0.061 0.000 3.040 4081 V HA 0.614 4.732 4.120 -0.003 0.000 0.312 4081 V C -0.121 176.001 176.094 0.046 0.000 1.115 4081 V CA -1.169 61.164 62.300 0.055 0.000 0.998 4081 V CB 2.171 33.980 31.823 -0.024 0.000 1.042 4081 V HN 0.599 nan 8.190 nan 0.000 0.433 4082 I N 2.283 122.880 120.570 0.045 0.000 2.353 4082 I HA 0.491 4.659 4.170 -0.003 0.000 0.293 4082 I C -0.625 175.519 176.117 0.045 0.000 0.992 4082 I CA -0.777 60.547 61.300 0.041 0.000 1.268 4082 I CB 1.878 39.899 38.000 0.034 0.000 1.387 4082 I HN 0.458 nan 8.210 nan 0.000 0.478 4083 V N 8.558 128.509 119.914 0.063 0.000 2.313 4083 V HA 0.289 4.407 4.120 -0.003 0.000 0.278 4083 V C -2.013 174.136 176.094 0.092 0.000 1.017 4083 V CA -1.732 60.629 62.300 0.101 0.000 0.823 4083 V CB 1.110 33.026 31.823 0.155 0.000 1.010 4083 V HN 0.590 nan 8.190 nan 0.000 0.443 4084 P HA 0.061 nan 4.420 nan 0.000 0.269 4084 P C 1.117 178.508 177.300 0.151 0.000 1.209 4084 P CA -0.169 62.984 63.100 0.089 0.000 0.776 4084 P CB 0.971 32.719 31.700 0.080 0.000 0.876 4085 C N 0.193 119.563 119.300 0.118 0.000 2.432 4085 C HA 0.027 4.485 4.460 -0.003 0.000 0.282 4085 C C 1.038 176.163 174.990 0.225 0.000 1.388 4085 C CA 0.373 59.519 59.018 0.213 0.000 1.777 4085 C CB -1.827 25.962 27.740 0.082 0.000 1.882 4085 C HN 0.489 nan 8.230 nan 0.000 0.520 4086 T N 2.480 117.086 114.554 0.086 0.000 2.743 4086 T HA 0.472 4.820 4.350 -0.003 0.000 0.292 4086 T C 0.237 174.951 174.700 0.023 0.000 0.972 4086 T CA 0.361 62.485 62.100 0.040 0.000 0.967 4086 T CB 0.838 69.677 68.868 -0.048 0.000 0.926 4086 T HN 0.629 nan 8.240 nan 0.000 0.459 4087 T N 2.126 116.651 114.554 -0.047 0.000 3.241 4087 T HA 0.459 4.807 4.350 -0.003 0.000 0.387 4087 T C -2.910 171.700 174.700 -0.150 0.000 1.451 4087 T CA -2.190 59.878 62.100 -0.053 0.000 1.363 4087 T CB 0.505 69.313 68.868 -0.101 0.000 1.074 4087 T HN 0.143 nan 8.240 nan 0.000 0.598 4088 P HA 0.227 nan 4.420 nan 0.000 0.271 4088 P C -0.432 176.582 177.300 -0.477 0.000 1.233 4088 P CA -0.258 62.551 63.100 -0.485 0.000 0.789 4088 P CB 0.489 31.643 31.700 -0.910 0.000 0.951 4089 D N 0.748 120.922 120.400 -0.377 0.000 2.428 4089 D HA 0.062 4.700 4.640 -0.003 0.000 0.221 4089 D C 0.476 176.608 176.300 -0.279 0.000 1.123 4089 D CA -0.034 53.843 54.000 -0.205 0.000 0.869 4089 D CB 0.216 40.954 40.800 -0.104 0.000 1.032 4089 D HN 0.428 nan 8.370 nan 0.000 0.506 4090 W N 1.478 122.767 121.300 -0.018 0.000 2.525 4090 W HA -0.046 4.612 4.660 -0.003 0.000 0.259 4090 W C 1.228 177.735 176.519 -0.020 0.000 1.253 4090 W CA -0.089 57.246 57.345 -0.017 0.000 1.262 4090 W CB 0.146 29.594 29.460 -0.020 0.000 1.122 4090 W HN -0.027 nan 8.180 nan 0.000 0.607 4091 R N 1.400 121.968 120.500 0.113 0.000 3.570 4091 R HA 0.188 4.525 4.340 -0.003 0.000 0.233 4091 R C -0.239 176.073 176.300 0.020 0.000 1.492 4091 R CA -0.028 56.109 56.100 0.062 0.000 1.504 4091 R CB -0.120 30.194 30.300 0.023 0.000 1.314 4091 R HN -0.118 nan 8.270 nan 0.000 0.687 4092 S N -0.788 114.924 115.700 0.020 0.000 2.556 4092 S HA 0.310 4.778 4.470 -0.003 0.000 0.271 4092 S C 0.728 175.341 174.600 0.022 0.000 1.135 4092 S CA -0.986 57.215 58.200 0.001 0.000 0.858 4092 S CB 1.311 64.491 63.200 -0.035 0.000 1.114 4092 S HN 0.296 nan 8.310 nan 0.000 0.468 4093 L N 0.629 121.865 121.223 0.021 0.000 2.201 4093 L HA -0.044 4.294 4.340 -0.003 0.000 0.212 4093 L C 2.247 179.151 176.870 0.057 0.000 1.105 4093 L CA 1.229 56.091 54.840 0.036 0.000 0.775 4093 L CB -0.584 41.490 42.059 0.026 0.000 0.913 4093 L HN 0.718 nan 8.230 nan 0.000 0.440 4094 E N -0.220 120.012 120.200 0.054 0.000 2.106 4094 E HA -0.152 4.196 4.350 -0.003 0.000 0.192 4094 E C 2.273 178.940 176.600 0.112 0.000 0.984 4094 E CA 0.834 57.295 56.400 0.101 0.000 0.806 4094 E CB -0.220 29.538 29.700 0.097 0.000 0.750 4094 E HN 0.150 nan 8.360 nan 0.000 0.458 4095 V N 1.000 120.944 119.914 0.051 0.000 2.343 4095 V HA -0.294 3.824 4.120 -0.003 0.000 0.247 4095 V C 2.131 178.286 176.094 0.103 0.000 1.051 4095 V CA 1.868 64.206 62.300 0.063 0.000 1.036 4095 V CB -0.454 31.420 31.823 0.085 0.000 0.654 4095 V HN 0.314 nan 8.190 nan 0.000 0.451 4096 Q N -0.421 119.434 119.800 0.091 0.000 2.226 4096 Q HA -0.131 4.207 4.340 -0.003 0.000 0.204 4096 Q C 2.106 178.156 176.000 0.084 0.000 0.975 4096 Q CA 1.545 57.397 55.803 0.082 0.000 0.866 4096 Q CB -0.268 28.509 28.738 0.065 0.000 0.915 4096 Q HN 0.680 nan 8.270 nan 0.000 0.440 4097 A N -0.359 122.529 122.820 0.113 0.000 2.251 4097 A HA 0.326 4.644 4.320 -0.003 0.000 0.209 4097 A C 1.396 179.076 177.584 0.160 0.000 1.187 4097 A CA 0.760 52.892 52.037 0.158 0.000 0.823 4097 A CB 0.094 19.219 19.000 0.208 0.000 0.846 4097 A HN 0.425 nan 8.150 nan 0.000 0.486 4098 G N -2.175 106.654 108.800 0.049 0.000 2.144 4098 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 4098 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 4098 G C -0.154 174.435 174.900 -0.520 0.000 0.988 4098 G CA 0.057 45.036 45.100 -0.200 0.000 0.659 4098 G HN 0.433 nan 8.290 nan 0.000 0.522 4099 F N 1.176 121.163 119.950 0.063 0.000 2.686 4099 F HA 0.368 4.893 4.527 -0.004 0.000 0.365 4099 F C 1.457 177.229 175.800 -0.046 0.000 1.196 4099 F CA -0.338 57.698 58.000 0.061 0.000 1.198 4099 F CB 1.046 40.148 39.000 0.171 0.000 1.454 4099 F HN 0.210 nan 8.300 nan 0.000 0.539 4100 Q N -0.218 119.548 119.800 -0.056 0.000 2.170 4100 Q HA -0.239 4.099 4.340 -0.003 0.000 0.203 4100 Q C 1.157 176.972 176.000 -0.308 0.000 0.976 4100 Q CA 1.715 57.341 55.803 -0.295 0.000 0.858 4100 Q CB -0.228 28.248 28.738 -0.437 0.000 0.907 4100 Q HN 0.530 nan 8.270 nan 0.000 0.433 4101 Q N 0.227 119.862 119.800 -0.275 0.000 2.291 4101 Q HA -0.086 4.252 4.340 -0.003 0.000 0.206 4101 Q C 0.559 176.212 176.000 -0.578 0.000 0.976 4101 Q CA 1.190 56.726 55.803 -0.446 0.000 0.875 4101 Q CB 0.149 28.556 28.738 -0.553 0.000 0.927 4101 Q HN 0.599 nan 8.270 nan 0.000 0.450 4102 H N -0.747 118.329 119.070 0.010 0.000 2.467 4102 H HA 0.247 4.801 4.556 -0.004 0.000 0.275 4102 H C -0.260 175.048 175.328 -0.033 0.000 1.131 4102 H CA -0.114 55.932 56.048 -0.003 0.000 0.989 4102 H CB 0.011 29.773 29.762 -0.000 0.000 1.696 4102 H HN 0.114 nan 8.280 nan 0.000 0.574 4103 S N 1.635 117.304 115.700 -0.051 0.000 2.509 4103 S HA -0.033 4.435 4.470 -0.003 0.000 0.287 4103 S C 0.778 175.351 174.600 -0.044 0.000 1.248 4103 S CA -0.465 57.687 58.200 -0.081 0.000 1.089 4103 S CB 0.320 63.394 63.200 -0.211 0.000 0.900 4103 S HN 0.460 nan 8.310 nan 0.000 0.496 4104 N N 1.323 120.006 118.700 -0.029 0.000 2.776 4104 N HA -0.124 4.614 4.740 -0.003 0.000 0.250 4104 N C 0.263 175.746 175.510 -0.044 0.000 1.112 4104 N CA 1.460 54.486 53.050 -0.040 0.000 0.733 4104 N CB -1.623 36.829 38.487 -0.059 0.000 1.097 4104 N HN 1.589 nan 8.380 nan 0.000 0.558 4105 G N -0.497 108.298 108.800 -0.008 0.000 2.321 4105 G HA2 0.132 4.090 3.960 -0.003 0.000 0.339 4105 G HA3 0.132 4.090 3.960 -0.003 0.000 0.339 4105 G C -0.491 174.446 174.900 0.063 0.000 1.518 4105 G CA -0.343 44.750 45.100 -0.011 0.000 0.994 4105 G HN 0.240 nan 8.290 nan 0.000 0.668 4106 M N 2.206 121.824 119.600 0.031 0.000 2.390 4106 M HA 0.385 4.863 4.480 -0.003 0.000 0.353 4106 M C 1.328 177.752 176.300 0.206 0.000 1.623 4106 M CA 0.707 56.056 55.300 0.081 0.000 1.065 4106 M CB -0.548 32.026 32.600 -0.043 0.000 2.025 4106 M HN 1.103 nan 8.290 nan 0.000 0.461 4107 L N 2.977 124.473 121.223 0.455 0.000 5.081 4107 L HA -0.320 4.018 4.340 -0.003 0.000 0.423 4107 L C 1.369 178.341 176.870 0.171 0.000 1.019 4107 L CA 0.628 55.620 54.840 0.253 0.000 1.223 4107 L CB -2.232 39.963 42.059 0.227 0.000 1.940 4107 L HN 0.889 nan 8.230 nan 0.000 0.675 4108 A N 0.370 123.283 122.820 0.155 0.000 2.225 4108 A HA 0.138 4.456 4.320 -0.003 0.000 0.215 4108 A C 2.073 179.712 177.584 0.091 0.000 1.164 4108 A CA 1.829 53.981 52.037 0.191 0.000 0.710 4108 A CB -0.569 18.475 19.000 0.074 0.000 0.780 4108 A HN 0.623 nan 8.150 nan 0.000 0.473 4109 G N -1.709 107.079 108.800 -0.019 0.000 2.464 4109 G HA2 -0.020 3.938 3.960 -0.003 0.000 0.217 4109 G HA3 -0.020 3.938 3.960 -0.003 0.000 0.217 4109 G C 0.402 175.257 174.900 -0.074 0.000 1.138 4109 G CA 0.426 45.456 45.100 -0.117 0.000 0.793 4109 G HN 0.617 nan 8.290 nan 0.000 0.539 4110 W N 2.244 123.405 121.300 -0.232 0.000 2.311 4110 W HA 0.605 5.263 4.660 -0.004 0.000 0.317 4110 W C 0.742 176.995 176.519 -0.444 0.000 1.065 4110 W CA -1.738 55.427 57.345 -0.300 0.000 1.364 4110 W CB 0.817 30.105 29.460 -0.286 0.000 1.233 4110 W HN -0.088 nan 8.180 nan 0.000 0.409 4111 K N 4.010 123.934 120.400 -0.792 0.000 2.161 4111 K HA 0.092 4.410 4.320 -0.003 0.000 0.205 4111 K C 0.235 176.145 176.600 -1.151 0.000 1.035 4111 K CA 0.080 55.575 56.287 -1.320 0.000 0.970 4111 K CB -0.345 31.568 32.500 -0.978 0.000 0.866 4111 K HN 0.051 nan 8.250 nan 0.000 0.461 4112 F N 2.759 122.369 119.950 -0.567 0.000 2.512 4112 F HA -0.174 4.351 4.527 -0.004 0.000 0.406 4112 F C 1.381 176.976 175.800 -0.342 0.000 0.990 4112 F CA 0.791 58.584 58.000 -0.345 0.000 1.137 4112 F CB -0.410 38.517 39.000 -0.122 0.000 0.960 4112 F HN 0.220 nan 8.300 nan 0.000 0.533 4113 S N 0.723 116.348 115.700 -0.125 0.000 3.146 4113 S HA -0.324 4.144 4.470 -0.003 0.000 0.285 4113 S C 1.661 176.064 174.600 -0.328 0.000 1.293 4113 S CA 1.281 59.419 58.200 -0.105 0.000 1.137 4113 S CB -1.162 62.126 63.200 0.145 0.000 1.357 4113 S HN 0.853 nan 8.310 nan 0.000 0.678 4114 N N 0.541 118.726 118.700 -0.858 0.000 2.414 4114 N HA 0.244 4.982 4.740 -0.003 0.000 0.189 4114 N C 1.003 176.225 175.510 -0.480 0.000 1.039 4114 N CA 1.664 54.041 53.050 -1.122 0.000 0.889 4114 N CB -0.191 37.139 38.487 -1.927 0.000 1.085 4114 N HN 0.733 nan 8.380 nan 0.000 0.442 4115 F N -1.939 117.759 119.950 -0.419 0.000 3.031 4115 F HA 0.527 5.051 4.527 -0.004 0.000 0.365 4115 F C -0.128 175.551 175.800 -0.202 0.000 1.128 4115 F CA -0.796 57.048 58.000 -0.260 0.000 1.068 4115 F CB -0.349 38.507 39.000 -0.239 0.000 1.280 4115 F HN -0.177 nan 8.300 nan 0.000 0.529 4116 K N 1.828 121.971 120.400 -0.428 0.000 2.207 4116 K HA 0.244 4.562 4.320 -0.003 0.000 0.255 4116 K C -0.723 175.818 176.600 -0.099 0.000 0.941 4116 K CA -0.688 55.464 56.287 -0.226 0.000 0.825 4116 K CB 1.052 33.305 32.500 -0.412 0.000 1.119 4116 K HN -0.098 nan 8.250 nan 0.000 0.430 4117 D N 2.298 122.703 120.400 0.008 0.000 2.533 4117 D HA -0.002 4.635 4.640 -0.003 0.000 0.236 4117 D C 0.470 176.857 176.300 0.144 0.000 1.137 4117 D CA 0.638 54.675 54.000 0.062 0.000 0.867 4117 D CB 1.020 41.881 40.800 0.102 0.000 1.170 4117 D HN 0.721 nan 8.370 nan 0.000 0.474 4118 G N 0.408 109.227 108.800 0.033 0.000 2.516 4118 G HA2 0.251 4.209 3.960 -0.003 0.000 0.276 4118 G HA3 0.251 4.209 3.960 -0.003 0.000 0.276 4118 G C 1.201 175.919 174.900 -0.302 0.000 1.390 4118 G CA -0.070 44.957 45.100 -0.121 0.000 1.050 4118 G HN 0.382 nan 8.290 nan 0.000 0.519 4119 V N -3.184 116.305 119.914 -0.709 0.000 3.541 4119 V HA 0.282 4.400 4.120 -0.003 0.000 0.267 4119 V C 0.725 176.824 176.094 0.007 0.000 1.213 4119 V CA 0.293 62.176 62.300 -0.695 0.000 1.149 4119 V CB -0.789 30.357 31.823 -1.129 0.000 0.822 4119 V HN 0.292 nan 8.190 nan 0.000 0.462 4120 F N 3.062 123.008 119.950 -0.006 0.000 2.705 4120 F HA 0.758 5.282 4.527 -0.004 0.000 0.355 4120 F C 1.076 177.055 175.800 0.298 0.000 1.172 4120 F CA -0.710 57.384 58.000 0.156 0.000 1.332 4120 F CB -0.503 38.539 39.000 0.070 0.000 1.621 4120 F HN 0.311 nan 8.300 nan 0.000 0.605 4121 G N -0.514 108.648 108.800 0.603 0.000 2.690 4121 G HA2 0.310 4.268 3.960 -0.003 0.000 0.291 4121 G HA3 0.310 4.268 3.960 -0.003 0.000 0.291 4121 G C 0.399 175.669 174.900 0.616 0.000 1.403 4121 G CA -0.607 44.815 45.100 0.536 0.000 0.864 4121 G HN 0.189 nan 8.290 nan 0.000 0.480 4122 E N -0.968 119.472 120.200 0.400 0.000 2.209 4122 E HA -0.077 4.271 4.350 -0.003 0.000 0.196 4122 E C -0.458 175.880 176.600 -0.437 0.000 0.993 4122 E CA 1.334 57.788 56.400 0.090 0.000 0.819 4122 E CB -0.039 29.587 29.700 -0.124 0.000 0.745 4122 E HN 0.463 nan 8.360 nan 0.000 0.477 4123 Y N -1.291 119.168 120.300 0.265 0.000 2.581 4123 Y HA 0.367 4.915 4.550 -0.003 0.000 0.337 4123 Y C -0.559 175.479 175.900 0.230 0.000 1.108 4123 Y CA -1.591 56.583 58.100 0.123 0.000 1.033 4123 Y CB 1.346 39.848 38.460 0.069 0.000 1.318 4123 Y HN -0.114 nan 8.280 nan 0.000 0.459 4124 F N -1.254 118.869 119.950 0.289 0.000 2.664 4124 F HA 0.626 5.151 4.527 -0.003 0.000 0.317 4124 F C -1.276 174.703 175.800 0.299 0.000 1.108 4124 F CA -1.079 57.074 58.000 0.256 0.000 0.957 4124 F CB 1.584 40.666 39.000 0.136 0.000 1.365 4124 F HN 0.542 nan 8.300 nan 0.000 0.475 4125 H N 1.196 120.595 119.070 0.548 0.000 2.459 4125 H HA 0.681 5.235 4.556 -0.004 0.000 0.332 4125 H C -1.730 173.872 175.328 0.456 0.000 1.094 4125 H CA -0.626 55.637 56.048 0.358 0.000 1.224 4125 H CB 1.893 31.787 29.762 0.219 0.000 1.449 4125 H HN 0.625 nan 8.280 nan 0.000 0.484 4126 V N 7.428 127.330 119.914 -0.020 0.000 2.378 4126 V HA 0.084 4.202 4.120 -0.003 0.000 0.288 4126 V C 0.211 176.204 176.094 -0.168 0.000 1.016 4126 V CA -1.102 61.254 62.300 0.093 0.000 0.840 4126 V CB 1.140 33.061 31.823 0.163 0.000 0.994 4126 V HN 0.823 nan 8.190 nan 0.000 0.431 4127 N N 3.603 122.323 118.700 0.033 0.000 2.513 4127 N HA 0.032 4.770 4.740 -0.003 0.000 0.268 4127 N C 0.022 175.586 175.510 0.091 0.000 1.180 4127 N CA -0.161 52.960 53.050 0.118 0.000 0.948 4127 N CB 0.916 39.501 38.487 0.164 0.000 1.083 4127 N HN 0.691 nan 8.380 nan 0.000 0.455 4128 D N 0.403 120.880 120.400 0.128 0.000 3.038 4128 D HA -0.201 4.437 4.640 -0.003 0.000 0.229 4128 D C 1.076 177.456 176.300 0.133 0.000 1.182 4128 D CA 0.720 54.821 54.000 0.168 0.000 0.852 4128 D CB -0.730 40.183 40.800 0.189 0.000 0.932 4128 D HN 0.728 nan 8.370 nan 0.000 0.406 4129 A N 2.730 125.606 122.820 0.094 0.000 1.884 4129 A HA -0.278 4.040 4.320 -0.003 0.000 0.219 4129 A C 1.898 179.530 177.584 0.080 0.000 1.197 4129 A CA 2.150 54.193 52.037 0.009 0.000 0.637 4129 A CB -0.229 18.784 19.000 0.023 0.000 0.827 4129 A HN 0.522 nan 8.150 nan 0.000 0.450 4130 D N -0.932 119.625 120.400 0.261 0.000 2.182 4130 D HA -0.122 4.516 4.640 -0.003 0.000 0.201 4130 D C 1.785 178.213 176.300 0.212 0.000 0.986 4130 D CA 1.181 55.390 54.000 0.349 0.000 0.847 4130 D CB -0.188 40.757 40.800 0.242 0.000 0.942 4130 D HN 0.347 nan 8.370 nan 0.000 0.467 4131 M N -0.466 119.205 119.600 0.118 0.000 2.492 4131 M HA 0.065 4.543 4.480 -0.003 0.000 0.255 4131 M C 0.610 176.967 176.300 0.095 0.000 1.139 4131 M CA 0.515 55.810 55.300 -0.008 0.000 1.096 4131 M CB 0.140 32.702 32.600 -0.063 0.000 1.360 4131 M HN -0.096 nan 8.290 nan 0.000 0.480 4132 N N 0.177 118.962 118.700 0.140 0.000 2.197 4132 N HA 0.347 5.085 4.740 -0.003 0.000 0.228 4132 N C -0.346 175.185 175.510 0.035 0.000 1.212 4132 N CA 0.145 53.287 53.050 0.154 0.000 0.883 4132 N CB 1.785 40.383 38.487 0.185 0.000 1.107 4132 N HN 0.250 nan 8.380 nan 0.000 0.519 4133 L N 0.142 121.305 121.223 -0.099 0.000 2.323 4133 L HA 0.860 5.198 4.340 -0.003 0.000 0.265 4133 L C -0.515 176.317 176.870 -0.062 0.000 1.012 4133 L CA -1.018 53.655 54.840 -0.279 0.000 0.820 4133 L CB 2.127 43.639 42.059 -0.912 0.000 1.334 4133 L HN -0.147 nan 8.230 nan 0.000 0.427 4134 A N 1.702 124.532 122.820 0.016 0.000 2.486 4134 A HA 0.660 4.978 4.320 -0.003 0.000 0.300 4134 A C -0.884 176.829 177.584 0.214 0.000 1.048 4134 A CA -0.550 51.605 52.037 0.197 0.000 0.696 4134 A CB 1.321 20.389 19.000 0.113 0.000 1.278 4134 A HN 0.438 nan 8.150 nan 0.000 0.405 4135 I N 2.033 122.775 120.570 0.287 0.000 2.648 4135 I HA 0.056 4.224 4.170 -0.003 0.000 0.284 4135 I C 0.184 176.364 176.117 0.106 0.000 1.153 4135 I CA -0.055 61.371 61.300 0.211 0.000 1.426 4135 I CB 0.818 38.907 38.000 0.149 0.000 1.381 4135 I HN 0.669 nan 8.210 nan 0.000 0.571 4136 L N 9.849 131.122 121.223 0.083 0.000 2.278 4136 L HA 0.445 4.783 4.340 -0.003 0.000 0.287 4136 L C -2.278 174.610 176.870 0.031 0.000 1.072 4136 L CA -1.162 53.706 54.840 0.047 0.000 0.819 4136 L CB 0.557 42.641 42.059 0.042 0.000 1.176 4136 L HN 0.333 nan 8.230 nan 0.000 0.435 4137 P HA 0.032 nan 4.420 nan 0.000 0.266 4137 P C -0.137 177.167 177.300 0.005 0.000 1.195 4137 P CA -0.024 63.077 63.100 0.000 0.000 0.768 4137 P CB 0.490 32.177 31.700 -0.021 0.000 0.838 4138 K N 2.018 122.421 120.400 0.005 0.000 2.097 4138 K HA -0.157 4.161 4.320 -0.003 0.000 0.206 4138 K C 0.520 177.123 176.600 0.006 0.000 1.049 4138 K CA 1.650 57.942 56.287 0.008 0.000 0.933 4138 K CB -0.282 32.222 32.500 0.007 0.000 0.717 4138 K HN 0.278 nan 8.250 nan 0.000 0.442 4139 D N 0.431 120.832 120.400 0.001 0.000 2.339 4139 D HA 0.028 4.666 4.640 -0.003 0.000 0.217 4139 D C 0.098 176.400 176.300 0.003 0.000 1.050 4139 D CA 0.198 54.199 54.000 0.002 0.000 0.856 4139 D CB 0.194 40.995 40.800 0.000 0.000 0.922 4139 D HN 0.320 nan 8.370 nan 0.000 0.518 4140 M N 2.046 121.647 119.600 0.001 0.000 2.146 4140 M HA 0.230 4.707 4.480 -0.003 0.000 0.352 4140 M C -2.500 173.804 176.300 0.007 0.000 1.343 4140 M CA -1.401 53.901 55.300 0.003 0.000 1.115 4140 M CB 1.198 33.797 32.600 -0.001 0.000 1.657 4140 M HN -0.368 nan 8.290 nan 0.000 0.471 4141 P HA 0.019 nan 4.420 nan 0.000 0.264 4141 P C 0.318 177.621 177.300 0.005 0.000 1.193 4141 P CA 0.052 63.157 63.100 0.008 0.000 0.763 4141 P CB 0.539 32.244 31.700 0.008 0.000 0.810 4142 L N 2.527 123.751 121.223 0.003 0.000 2.013 4142 L HA -0.285 4.053 4.340 -0.003 0.000 0.212 4142 L C 1.950 178.814 176.870 -0.009 0.000 1.073 4142 L CA 1.821 56.659 54.840 -0.003 0.000 0.753 4142 L CB -0.827 41.226 42.059 -0.009 0.000 0.890 4142 L HN 0.385 nan 8.230 nan 0.000 0.432 4143 E N -0.005 120.187 120.200 -0.014 0.000 2.118 4143 E HA -0.195 4.153 4.350 -0.003 0.000 0.195 4143 E C 1.869 178.468 176.600 -0.001 0.000 0.992 4143 E CA 1.256 57.648 56.400 -0.013 0.000 0.804 4143 E CB -0.398 29.292 29.700 -0.017 0.000 0.741 4143 E HN 0.436 nan 8.360 nan 0.000 0.458 4144 N N 0.651 119.354 118.700 0.004 0.000 2.135 4144 N HA -0.044 4.694 4.740 -0.003 0.000 0.186 4144 N C 1.705 177.217 175.510 0.003 0.000 1.027 4144 N CA 1.549 54.606 53.050 0.013 0.000 0.849 4144 N CB -0.659 37.840 38.487 0.020 0.000 1.002 4144 N HN 0.255 nan 8.380 nan 0.000 0.425 4145 A N 0.698 123.518 122.820 -0.000 0.000 1.940 4145 A HA -0.102 4.216 4.320 -0.003 0.000 0.219 4145 A C 2.356 179.934 177.584 -0.011 0.000 1.176 4145 A CA 1.355 53.390 52.037 -0.004 0.000 0.631 4145 A CB -0.843 18.158 19.000 0.002 0.000 0.814 4145 A HN 0.120 nan 8.150 nan 0.000 0.446 4146 V N -0.005 119.903 119.914 -0.010 0.000 2.594 4146 V HA -0.267 3.851 4.120 -0.003 0.000 0.253 4146 V C 2.492 178.572 176.094 -0.024 0.000 1.069 4146 V CA 1.772 64.063 62.300 -0.016 0.000 1.082 4146 V CB -0.700 31.114 31.823 -0.014 0.000 0.680 4146 V HN 0.516 nan 8.190 nan 0.000 0.469 4147 M N -0.937 118.650 119.600 -0.022 0.000 2.374 4147 M HA -0.017 4.461 4.480 -0.003 0.000 0.264 4147 M C 2.059 178.318 176.300 -0.068 0.000 1.067 4147 M CA 1.521 56.801 55.300 -0.034 0.000 1.103 4147 M CB -0.865 31.724 32.600 -0.018 0.000 1.402 4147 M HN 0.331 nan 8.290 nan 0.000 0.444 4148 I N 0.215 120.745 120.570 -0.066 0.000 2.252 4148 I HA -0.261 3.907 4.170 -0.003 0.000 0.245 4148 I C 2.468 178.538 176.117 -0.079 0.000 1.102 4148 I CA 1.747 62.990 61.300 -0.095 0.000 1.385 4148 I CB -0.856 37.106 38.000 -0.064 0.000 1.064 4148 I HN 0.357 nan 8.210 nan 0.000 0.414 4149 T N -2.103 112.425 114.554 -0.044 0.000 2.760 4149 T HA -0.272 4.076 4.350 -0.003 0.000 0.269 4149 T C 1.405 176.089 174.700 -0.026 0.000 1.047 4149 T CA 2.199 64.285 62.100 -0.022 0.000 1.139 4149 T CB -0.095 68.766 68.868 -0.012 0.000 0.855 4149 T HN 0.407 nan 8.240 nan 0.000 0.471 4150 D N -0.932 119.443 120.400 -0.042 0.000 2.690 4150 D HA 0.168 4.806 4.640 -0.003 0.000 0.235 4150 D C 1.958 178.216 176.300 -0.070 0.000 1.327 4150 D CA 0.026 53.997 54.000 -0.048 0.000 1.264 4150 D CB -0.307 40.501 40.800 0.012 0.000 1.574 4150 D HN 0.080 nan 8.370 nan 0.000 0.421 4151 M N 0.647 120.209 119.600 -0.063 0.000 2.065 4151 M HA -0.088 4.390 4.480 -0.003 0.000 0.259 4151 M C 2.419 178.646 176.300 -0.122 0.000 1.069 4151 M CA 1.419 56.677 55.300 -0.069 0.000 1.110 4151 M CB -1.160 31.407 32.600 -0.055 0.000 1.328 4151 M HN 0.258 nan 8.290 nan 0.000 0.405 4152 M N -0.692 118.787 119.600 -0.202 0.000 2.077 4152 M HA -0.190 4.288 4.480 -0.003 0.000 0.261 4152 M C 2.317 178.364 176.300 -0.421 0.000 1.070 4152 M CA 2.099 57.144 55.300 -0.426 0.000 1.125 4152 M CB -0.310 31.993 32.600 -0.494 0.000 1.339 4152 M HN 0.344 nan 8.290 nan 0.000 0.409 4153 T N -0.484 113.925 114.554 -0.242 0.000 2.833 4153 T HA -0.130 4.217 4.350 -0.003 0.000 0.269 4153 T C 1.459 176.149 174.700 -0.016 0.000 1.054 4153 T CA 2.157 64.183 62.100 -0.124 0.000 1.135 4153 T CB -0.295 68.517 68.868 -0.094 0.000 0.869 4153 T HN 0.540 nan 8.240 nan 0.000 0.466 4154 T N 0.237 114.773 114.554 -0.029 0.000 2.770 4154 T HA 0.108 4.456 4.350 -0.003 0.000 0.263 4154 T C 2.066 176.831 174.700 0.108 0.000 1.039 4154 T CA 1.154 63.273 62.100 0.031 0.000 1.142 4154 T CB -0.900 67.954 68.868 -0.023 0.000 0.868 4154 T HN 0.506 nan 8.240 nan 0.000 0.435 4155 G N 0.773 109.626 108.800 0.089 0.000 2.418 4155 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.217 4155 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.217 4155 G C 1.250 176.329 174.900 0.298 0.000 1.158 4155 G CA 0.355 45.547 45.100 0.154 0.000 0.771 4155 G HN 0.353 nan 8.290 nan 0.000 0.545 4156 F N 0.545 120.508 119.950 0.021 0.000 2.146 4156 F HA 0.038 4.563 4.527 -0.004 0.000 0.298 4156 F C 2.376 178.225 175.800 0.081 0.000 1.096 4156 F CA 0.839 58.861 58.000 0.036 0.000 1.275 4156 F CB -1.088 37.934 39.000 0.038 0.000 1.008 4156 F HN 0.256 nan 8.300 nan 0.000 0.480 4157 H N -0.210 118.977 119.070 0.194 0.000 2.421 4157 H HA -0.050 4.504 4.556 -0.004 0.000 0.298 4157 H C 2.398 177.774 175.328 0.081 0.000 1.087 4157 H CA 1.406 57.520 56.048 0.109 0.000 1.330 4157 H CB -0.634 29.170 29.762 0.070 0.000 1.388 4157 H HN 0.215 nan 8.280 nan 0.000 0.526 4158 G N -0.429 108.423 108.800 0.086 0.000 2.418 4158 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.217 4158 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.217 4158 G C 1.892 176.777 174.900 -0.025 0.000 1.158 4158 G CA 0.807 45.909 45.100 0.002 0.000 0.771 4158 G HN 0.573 nan 8.290 nan 0.000 0.545 4159 A N 0.770 123.589 122.820 -0.002 0.000 1.929 4159 A HA 0.081 4.399 4.320 -0.003 0.000 0.216 4159 A C 2.148 179.702 177.584 -0.049 0.000 1.176 4159 A CA 1.746 53.758 52.037 -0.042 0.000 0.628 4159 A CB -0.256 18.684 19.000 -0.099 0.000 0.816 4159 A HN 0.451 nan 8.150 nan 0.000 0.444 4160 E N 0.014 120.193 120.200 -0.034 0.000 2.047 4160 E HA -0.106 4.242 4.350 -0.003 0.000 0.191 4160 E C 1.846 178.401 176.600 -0.074 0.000 0.987 4160 E CA 1.100 57.484 56.400 -0.028 0.000 0.799 4160 E CB -0.295 29.436 29.700 0.052 0.000 0.752 4160 E HN 0.586 nan 8.360 nan 0.000 0.449 4161 L N 0.641 121.760 121.223 -0.173 0.000 2.201 4161 L HA -0.113 4.224 4.340 -0.003 0.000 0.212 4161 L C 2.433 179.266 176.870 -0.061 0.000 1.105 4161 L CA 0.631 55.380 54.840 -0.152 0.000 0.775 4161 L CB -0.347 41.567 42.059 -0.241 0.000 0.913 4161 L HN 0.147 nan 8.230 nan 0.000 0.440 4162 A N -1.004 121.785 122.820 -0.051 0.000 2.121 4162 A HA -0.196 4.122 4.320 -0.003 0.000 0.218 4162 A C 0.910 178.487 177.584 -0.012 0.000 1.154 4162 A CA 0.845 52.870 52.037 -0.021 0.000 0.679 4162 A CB -0.344 18.645 19.000 -0.020 0.000 0.795 4162 A HN 0.506 nan 8.150 nan 0.000 0.458 4163 D N -0.899 119.491 120.400 -0.017 0.000 2.735 4163 D HA -0.157 4.481 4.640 -0.003 0.000 0.235 4163 D C -0.349 175.946 176.300 -0.009 0.000 1.175 4163 D CA 0.492 54.487 54.000 -0.008 0.000 0.683 4163 D CB -1.732 39.070 40.800 0.004 0.000 1.008 4163 D HN 0.520 nan 8.370 nan 0.000 0.416 4164 I N 1.011 121.570 120.570 -0.018 0.000 2.634 4164 I HA 0.051 4.219 4.170 -0.003 0.000 0.284 4164 I C 1.398 177.504 176.117 -0.018 0.000 1.124 4164 I CA 0.281 61.569 61.300 -0.019 0.000 1.417 4164 I CB 0.576 38.557 38.000 -0.031 0.000 1.396 4164 I HN 0.097 nan 8.210 nan 0.000 0.571 4165 E N 5.307 125.498 120.200 -0.014 0.000 2.222 4165 E HA 0.377 4.725 4.350 -0.003 0.000 0.267 4165 E C -0.704 175.887 176.600 -0.016 0.000 0.963 4165 E CA -1.065 55.327 56.400 -0.014 0.000 0.837 4165 E CB 1.186 30.880 29.700 -0.010 0.000 1.183 4165 E HN 0.381 nan 8.360 nan 0.000 0.403 4166 M N 1.601 121.191 119.600 -0.016 0.000 2.501 4166 M HA 0.017 4.495 4.480 -0.003 0.000 0.363 4166 M C 0.980 177.272 176.300 -0.013 0.000 1.708 4166 M CA 1.102 56.392 55.300 -0.017 0.000 1.078 4166 M CB -0.885 31.706 32.600 -0.015 0.000 2.107 4166 M HN 1.009 nan 8.290 nan 0.000 0.466 4167 G N 3.007 111.799 108.800 -0.014 0.000 2.176 4167 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.232 4167 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.232 4167 G C 0.320 175.215 174.900 -0.008 0.000 0.986 4167 G CA 0.197 45.291 45.100 -0.010 0.000 0.643 4167 G HN 0.632 nan 8.290 nan 0.000 0.522 4168 S N 0.703 116.398 115.700 -0.009 0.000 2.563 4168 S HA 0.479 4.947 4.470 -0.003 0.000 0.284 4168 S C 0.899 175.498 174.600 -0.002 0.000 1.331 4168 S CA 0.498 58.695 58.200 -0.005 0.000 1.047 4168 S CB 1.071 64.267 63.200 -0.006 0.000 0.859 4168 S HN 1.503 nan 8.310 nan 0.000 0.514 4169 S N 1.446 117.148 115.700 0.003 0.000 2.525 4169 S HA 0.690 5.158 4.470 -0.003 0.000 0.278 4169 S C -0.578 174.028 174.600 0.009 0.000 1.234 4169 S CA -0.732 57.472 58.200 0.007 0.000 1.058 4169 S CB 0.855 64.062 63.200 0.011 0.000 0.983 4169 S HN 0.405 nan 8.310 nan 0.000 0.495 4170 V N 2.692 122.612 119.914 0.010 0.000 2.841 4170 V HA 0.538 4.656 4.120 -0.003 0.000 0.310 4170 V C -0.679 175.427 176.094 0.019 0.000 1.090 4170 V CA -0.798 61.509 62.300 0.012 0.000 0.930 4170 V CB 2.051 33.877 31.823 0.004 0.000 1.014 4170 V HN 0.850 nan 8.190 nan 0.000 0.425 4171 V N 4.307 124.235 119.914 0.022 0.000 2.448 4171 V HA 0.526 4.644 4.120 -0.003 0.000 0.295 4171 V C -0.440 175.669 176.094 0.024 0.000 1.025 4171 V CA -0.555 61.762 62.300 0.027 0.000 0.859 4171 V CB 2.052 33.893 31.823 0.030 0.000 0.988 4171 V HN 0.625 nan 8.190 nan 0.000 0.431 4172 V N 6.519 126.449 119.914 0.026 0.000 2.350 4172 V HA 0.450 4.568 4.120 -0.003 0.000 0.285 4172 V C -0.037 176.067 176.094 0.016 0.000 1.014 4172 V CA -0.384 61.929 62.300 0.023 0.000 0.831 4172 V CB 1.512 33.352 31.823 0.029 0.000 1.000 4172 V HN 0.674 nan 8.190 nan 0.000 0.433 4173 I N 4.953 125.527 120.570 0.006 0.000 2.322 4173 I HA 0.611 4.779 4.170 -0.003 0.000 0.292 4173 I C 0.892 176.983 176.117 -0.042 0.000 1.060 4173 I CA 0.241 61.530 61.300 -0.018 0.000 1.309 4173 I CB 0.710 38.701 38.000 -0.015 0.000 1.415 4173 I HN 0.866 nan 8.210 nan 0.000 0.492 4174 G N 6.767 115.529 108.800 -0.064 0.000 3.355 4174 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.686 4174 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.686 4174 G C -0.419 174.472 174.900 -0.014 0.000 1.097 4174 G CA -0.675 44.381 45.100 -0.072 0.000 0.881 4174 G HN 0.859 nan 8.290 nan 0.000 0.550 4175 I N 0.912 121.486 120.570 0.006 0.000 3.531 4175 I HA 0.553 4.721 4.170 -0.003 0.000 0.341 4175 I C 0.968 177.119 176.117 0.057 0.000 1.550 4175 I CA -0.198 61.131 61.300 0.049 0.000 1.087 4175 I CB 0.210 38.256 38.000 0.077 0.000 1.408 4175 I HN 0.658 nan 8.210 nan 0.000 0.484 4176 G N 0.804 109.623 108.800 0.032 0.000 2.553 4176 G HA2 0.431 4.389 3.960 -0.003 0.000 0.278 4176 G HA3 0.431 4.389 3.960 -0.003 0.000 0.278 4176 G C 1.032 175.957 174.900 0.043 0.000 1.349 4176 G CA 0.080 45.201 45.100 0.034 0.000 1.037 4176 G HN 0.370 nan 8.290 nan 0.000 0.508 4177 A N -1.214 121.629 122.820 0.039 0.000 1.903 4177 A HA -0.102 4.216 4.320 -0.003 0.000 0.219 4177 A C 2.567 180.158 177.584 0.011 0.000 1.191 4177 A CA 2.397 54.454 52.037 0.034 0.000 0.638 4177 A CB -0.855 18.160 19.000 0.025 0.000 0.823 4177 A HN 0.568 nan 8.150 nan 0.000 0.451 4178 V N -0.272 119.647 119.914 0.008 0.000 2.343 4178 V HA -0.177 3.941 4.120 -0.003 0.000 0.247 4178 V C 2.807 178.910 176.094 0.015 0.000 1.051 4178 V CA 2.008 64.311 62.300 0.006 0.000 1.036 4178 V CB -1.458 30.369 31.823 0.007 0.000 0.654 4178 V HN 0.642 nan 8.190 nan 0.000 0.451 4179 G N -0.430 108.381 108.800 0.018 0.000 2.432 4179 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.219 4179 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.219 4179 G C 1.577 176.500 174.900 0.037 0.000 1.135 4179 G CA 0.742 45.857 45.100 0.026 0.000 0.767 4179 G HN 0.474 nan 8.290 nan 0.000 0.550 4180 L N -0.111 121.136 121.223 0.040 0.000 2.093 4180 L HA 0.017 4.355 4.340 -0.003 0.000 0.208 4180 L C 2.917 179.714 176.870 -0.122 0.000 1.085 4180 L CA 0.559 55.426 54.840 0.045 0.000 0.755 4180 L CB -0.250 41.887 42.059 0.128 0.000 0.904 4180 L HN 0.136 nan 8.230 nan 0.000 0.435 4181 M N -0.574 118.965 119.600 -0.101 0.000 2.419 4181 M HA -0.007 4.471 4.480 -0.003 0.000 0.264 4181 M C 2.274 178.638 176.300 0.107 0.000 1.082 4181 M CA 1.228 56.504 55.300 -0.041 0.000 1.119 4181 M CB -1.353 31.232 32.600 -0.025 0.000 1.398 4181 M HN 0.267 nan 8.290 nan 0.000 0.453 4182 G N 0.283 109.119 108.800 0.060 0.000 2.408 4182 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.217 4182 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.217 4182 G C 1.676 176.588 174.900 0.020 0.000 1.150 4182 G CA 0.281 45.415 45.100 0.057 0.000 0.776 4182 G HN 0.397 nan 8.290 nan 0.000 0.542 4183 I N 1.276 121.860 120.570 0.025 0.000 2.179 4183 I HA -0.164 4.004 4.170 -0.003 0.000 0.242 4183 I C 3.309 179.432 176.117 0.010 0.000 1.088 4183 I CA 0.996 62.317 61.300 0.034 0.000 1.357 4183 I CB -0.218 37.837 38.000 0.092 0.000 1.051 4183 I HN 0.245 nan 8.210 nan 0.000 0.409 4184 A N 0.876 123.695 122.820 -0.001 0.000 1.908 4184 A HA -0.159 4.158 4.320 -0.003 0.000 0.218 4184 A C 2.415 179.898 177.584 -0.169 0.000 1.181 4184 A CA 2.022 54.053 52.037 -0.009 0.000 0.627 4184 A CB -1.466 17.518 19.000 -0.027 0.000 0.818 4184 A HN 0.479 nan 8.150 nan 0.000 0.445 4185 G N -0.670 107.966 108.800 -0.273 0.000 2.418 4185 G HA2 0.024 3.982 3.960 -0.003 0.000 0.217 4185 G HA3 0.024 3.982 3.960 -0.003 0.000 0.217 4185 G C 1.736 176.432 174.900 -0.340 0.000 1.158 4185 G CA 1.413 46.116 45.100 -0.661 0.000 0.771 4185 G HN 0.807 nan 8.290 nan 0.000 0.545 4186 A N 0.713 123.433 122.820 -0.166 0.000 1.902 4186 A HA -0.025 4.293 4.320 -0.003 0.000 0.217 4186 A C 2.208 179.733 177.584 -0.098 0.000 1.181 4186 A CA 2.122 54.097 52.037 -0.102 0.000 0.623 4186 A CB -0.414 18.557 19.000 -0.048 0.000 0.818 4186 A HN 0.406 nan 8.150 nan 0.000 0.443 4187 K N -0.263 120.083 120.400 -0.091 0.000 2.097 4187 K HA 0.004 4.322 4.320 -0.003 0.000 0.205 4187 K C 1.336 177.879 176.600 -0.096 0.000 1.050 4187 K CA 1.097 57.342 56.287 -0.070 0.000 0.938 4187 K CB -0.260 32.214 32.500 -0.044 0.000 0.718 4187 K HN 0.472 nan 8.250 nan 0.000 0.442 4188 L N 0.955 122.083 121.223 -0.160 0.000 2.675 4188 L HA 0.039 4.377 4.340 -0.003 0.000 0.239 4188 L C 1.361 178.139 176.870 -0.154 0.000 1.151 4188 L CA 0.053 54.791 54.840 -0.170 0.000 0.905 4188 L CB 0.047 41.943 42.059 -0.272 0.000 1.057 4188 L HN 0.072 nan 8.230 nan 0.000 0.435 4189 R N -0.396 120.026 120.500 -0.130 0.000 2.476 4189 R HA 0.274 4.612 4.340 -0.003 0.000 0.276 4189 R C 1.098 177.361 176.300 -0.061 0.000 0.941 4189 R CA 0.603 56.646 56.100 -0.094 0.000 1.088 4189 R CB 0.909 31.151 30.300 -0.097 0.000 1.216 4189 R HN 0.260 nan 8.270 nan 0.000 0.533 4190 G N 0.712 109.478 108.800 -0.058 0.000 2.159 4190 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.227 4190 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.227 4190 G C 0.346 175.227 174.900 -0.032 0.000 0.986 4190 G CA 0.038 45.114 45.100 -0.040 0.000 0.651 4190 G HN 0.506 nan 8.290 nan 0.000 0.523 4191 A N 0.030 122.829 122.820 -0.036 0.000 2.520 4191 A HA 0.638 4.956 4.320 -0.003 0.000 0.235 4191 A C 1.584 179.158 177.584 -0.018 0.000 1.065 4191 A CA 1.520 53.542 52.037 -0.024 0.000 0.764 4191 A CB 0.292 19.277 19.000 -0.024 0.000 1.002 4191 A HN 1.562 nan 8.150 nan 0.000 0.502 4192 G N 0.812 109.606 108.800 -0.011 0.000 2.549 4192 G HA2 0.194 4.152 3.960 -0.003 0.000 0.219 4192 G HA3 0.194 4.152 3.960 -0.003 0.000 0.219 4192 G C 0.734 175.632 174.900 -0.003 0.000 1.677 4192 G CA 0.044 45.140 45.100 -0.007 0.000 0.929 4192 G HN 0.882 nan 8.290 nan 0.000 0.549 4193 R N 0.187 120.688 120.500 0.002 0.000 2.491 4193 R HA 0.423 4.761 4.340 -0.003 0.000 0.283 4193 R C -0.935 175.371 176.300 0.010 0.000 1.072 4193 R CA -0.004 56.101 56.100 0.008 0.000 1.048 4193 R CB 0.130 30.436 30.300 0.011 0.000 0.983 4193 R HN 0.232 nan 8.270 nan 0.000 0.450 4194 I N 6.672 127.251 120.570 0.015 0.000 2.439 4194 I HA 0.256 4.424 4.170 -0.003 0.000 0.283 4194 I C -0.491 175.644 176.117 0.030 0.000 1.023 4194 I CA -0.601 60.711 61.300 0.020 0.000 1.100 4194 I CB 1.852 39.864 38.000 0.021 0.000 1.238 4194 I HN 0.541 nan 8.210 nan 0.000 0.445 4195 I N 5.768 126.357 120.570 0.032 0.000 2.307 4195 I HA 0.352 4.520 4.170 -0.003 0.000 0.289 4195 I C 0.813 176.956 176.117 0.044 0.000 1.021 4195 I CA -0.235 61.088 61.300 0.039 0.000 1.224 4195 I CB 1.245 39.268 38.000 0.037 0.000 1.376 4195 I HN 0.580 nan 8.210 nan 0.000 0.470 4196 G N 5.734 114.566 108.800 0.053 0.000 2.348 4196 G HA2 0.551 4.509 3.960 -0.003 0.000 0.312 4196 G HA3 0.551 4.509 3.960 -0.003 0.000 0.312 4196 G C -0.620 174.317 174.900 0.062 0.000 1.126 4196 G CA -0.302 44.832 45.100 0.058 0.000 0.865 4196 G HN 0.344 nan 8.290 nan 0.000 0.474 4197 V N 1.620 121.564 119.914 0.050 0.000 2.384 4197 V HA 0.916 5.034 4.120 -0.003 0.000 0.287 4197 V C 0.660 176.784 176.094 0.050 0.000 1.020 4197 V CA 0.289 62.625 62.300 0.061 0.000 0.850 4197 V CB 0.665 32.507 31.823 0.032 0.000 0.987 4197 V HN 1.292 nan 8.190 nan 0.000 0.436 4198 G N 2.876 111.765 108.800 0.148 0.000 2.349 4198 G HA2 0.501 4.459 3.960 -0.003 0.000 0.294 4198 G HA3 0.501 4.459 3.960 -0.003 0.000 0.294 4198 G C -0.044 175.028 174.900 0.287 0.000 1.380 4198 G CA 0.277 45.498 45.100 0.202 0.000 0.811 4198 G HN 0.848 nan 8.290 nan 0.000 0.519 4199 S N -1.363 114.513 115.700 0.294 0.000 2.882 4199 S HA 0.234 4.702 4.470 -0.003 0.000 0.258 4199 S C 0.909 175.572 174.600 0.105 0.000 1.081 4199 S CA 0.118 58.415 58.200 0.162 0.000 0.886 4199 S CB 0.088 63.342 63.200 0.089 0.000 0.855 4199 S HN 0.664 nan 8.310 nan 0.000 0.467 4200 R N 3.476 124.046 120.500 0.117 0.000 2.561 4200 R HA 0.141 4.479 4.340 -0.003 0.000 0.347 4200 R C -1.950 174.391 176.300 0.069 0.000 0.916 4200 R CA -0.934 55.215 56.100 0.081 0.000 1.063 4200 R CB 0.005 30.353 30.300 0.081 0.000 0.916 4200 R HN 0.166 nan 8.270 nan 0.000 0.410 4201 P HA -0.289 nan 4.420 nan 0.000 0.219 4201 P C 1.002 178.327 177.300 0.043 0.000 1.158 4201 P CA 1.150 64.275 63.100 0.043 0.000 0.895 4201 P CB -0.004 31.714 31.700 0.030 0.000 0.792 4202 I N -1.020 119.575 120.570 0.043 0.000 2.208 4202 I HA -0.254 3.914 4.170 -0.003 0.000 0.245 4202 I C 1.853 178.002 176.117 0.053 0.000 1.097 4202 I CA 1.609 62.932 61.300 0.039 0.000 1.363 4202 I CB -0.875 37.151 38.000 0.043 0.000 1.051 4202 I HN -0.007 nan 8.210 nan 0.000 0.413 4203 C N -0.860 118.483 119.300 0.070 0.000 2.450 4203 C HA -0.051 4.407 4.460 -0.003 0.000 0.279 4203 C C 2.810 177.860 174.990 0.099 0.000 1.335 4203 C CA 0.726 59.799 59.018 0.092 0.000 1.749 4203 C CB -0.954 26.840 27.740 0.091 0.000 1.963 4203 C HN 0.428 nan 8.230 nan 0.000 0.501 4204 V N 1.229 121.193 119.914 0.083 0.000 2.343 4204 V HA -0.175 3.943 4.120 -0.003 0.000 0.247 4204 V C 2.534 178.676 176.094 0.079 0.000 1.051 4204 V CA 1.880 64.229 62.300 0.081 0.000 1.036 4204 V CB -0.581 31.282 31.823 0.067 0.000 0.654 4204 V HN 0.492 nan 8.190 nan 0.000 0.451 4205 E N 0.428 120.664 120.200 0.061 0.000 2.106 4205 E HA -0.124 4.224 4.350 -0.003 0.000 0.192 4205 E C 2.337 178.978 176.600 0.069 0.000 0.984 4205 E CA 1.467 57.898 56.400 0.051 0.000 0.806 4205 E CB -0.632 29.078 29.700 0.017 0.000 0.750 4205 E HN 0.570 nan 8.360 nan 0.000 0.458 4206 A N 1.510 124.372 122.820 0.071 0.000 1.930 4206 A HA -0.034 4.284 4.320 -0.003 0.000 0.217 4206 A C 2.428 180.144 177.584 0.220 0.000 1.175 4206 A CA 1.884 53.976 52.037 0.092 0.000 0.627 4206 A CB -0.581 18.505 19.000 0.144 0.000 0.815 4206 A HN 0.254 nan 8.150 nan 0.000 0.443 4207 A N 0.208 123.156 122.820 0.212 0.000 1.917 4207 A HA -0.225 4.093 4.320 -0.003 0.000 0.219 4207 A C 2.110 179.801 177.584 0.178 0.000 1.182 4207 A CA 2.004 54.173 52.037 0.220 0.000 0.633 4207 A CB -0.463 18.626 19.000 0.149 0.000 0.819 4207 A HN 0.578 nan 8.150 nan 0.000 0.448 4208 K N -1.656 118.822 120.400 0.129 0.000 2.103 4208 K HA -0.049 4.269 4.320 -0.003 0.000 0.204 4208 K C 1.780 178.422 176.600 0.071 0.000 1.052 4208 K CA 1.366 57.706 56.287 0.089 0.000 0.945 4208 K CB -0.339 32.206 32.500 0.074 0.000 0.722 4208 K HN 0.499 nan 8.250 nan 0.000 0.443 4209 F N 0.689 120.596 119.950 -0.071 0.000 2.161 4209 F HA -0.227 4.298 4.527 -0.004 0.000 0.300 4209 F C 1.518 177.219 175.800 -0.164 0.000 1.089 4209 F CA 1.434 59.331 58.000 -0.172 0.000 1.282 4209 F CB -0.096 38.705 39.000 -0.333 0.000 1.010 4209 F HN -0.022 nan 8.300 nan 0.000 0.485 4210 Y N -0.065 120.233 120.300 -0.004 0.000 2.544 4210 Y HA 0.275 4.823 4.550 -0.004 0.000 0.286 4210 Y C 2.057 177.902 175.900 -0.092 0.000 1.141 4210 Y CA 0.475 58.526 58.100 -0.081 0.000 1.299 4210 Y CB 0.111 38.633 38.460 0.104 0.000 1.030 4210 Y HN 0.233 nan 8.280 nan 0.000 0.543 4211 G N -1.500 107.334 108.800 0.058 0.000 2.613 4211 G HA2 -0.009 3.949 3.960 -0.003 0.000 0.199 4211 G HA3 -0.009 3.949 3.960 -0.003 0.000 0.199 4211 G C 0.234 175.155 174.900 0.035 0.000 0.991 4211 G CA -0.442 44.671 45.100 0.023 0.000 0.756 4211 G HN 0.422 nan 8.290 nan 0.000 0.515 4212 A N 1.109 123.967 122.820 0.065 0.000 2.540 4212 A HA 0.533 4.851 4.320 -0.003 0.000 0.239 4212 A C 1.603 179.211 177.584 0.039 0.000 1.061 4212 A CA 1.780 53.851 52.037 0.056 0.000 0.758 4212 A CB 0.251 19.296 19.000 0.075 0.000 0.991 4212 A HN 1.340 nan 8.150 nan 0.000 0.502 4213 T N -0.951 113.621 114.554 0.031 0.000 3.014 4213 T HA 0.282 4.630 4.350 -0.003 0.000 0.250 4213 T C -0.088 174.629 174.700 0.028 0.000 1.060 4213 T CA 0.833 62.947 62.100 0.024 0.000 1.040 4213 T CB -0.170 68.708 68.868 0.017 0.000 0.971 4213 T HN 0.610 nan 8.240 nan 0.000 0.497 4214 D N 0.197 120.618 120.400 0.035 0.000 2.756 4214 D HA 0.611 5.249 4.640 -0.003 0.000 0.226 4214 D C -1.351 174.978 176.300 0.047 0.000 1.186 4214 D CA -0.610 53.412 54.000 0.037 0.000 0.845 4214 D CB 1.792 42.613 40.800 0.034 0.000 1.610 4214 D HN 0.019 nan 8.370 nan 0.000 0.465 4215 I N 1.843 122.442 120.570 0.050 0.000 2.499 4215 I HA 0.408 4.576 4.170 -0.003 0.000 0.288 4215 I C -0.931 175.223 176.117 0.062 0.000 1.048 4215 I CA -0.464 60.872 61.300 0.060 0.000 1.062 4215 I CB 1.392 39.430 38.000 0.062 0.000 1.238 4215 I HN 0.340 nan 8.210 nan 0.000 0.426 4216 L N 5.454 126.723 121.223 0.076 0.000 2.354 4216 L HA 0.516 4.854 4.340 -0.003 0.000 0.269 4216 L C 0.057 177.000 176.870 0.123 0.000 1.005 4216 L CA -0.675 54.215 54.840 0.084 0.000 0.819 4216 L CB 2.414 44.521 42.059 0.081 0.000 1.311 4216 L HN 0.522 nan 8.230 nan 0.000 0.423 4217 N N 1.640 120.405 118.700 0.108 0.000 2.425 4217 N HA 0.096 4.834 4.740 -0.003 0.000 0.268 4217 N C -0.361 175.227 175.510 0.130 0.000 0.991 4217 N CA -0.477 52.646 53.050 0.122 0.000 0.931 4217 N CB 1.258 39.756 38.487 0.018 0.000 1.130 4217 N HN 0.500 nan 8.380 nan 0.000 0.493 4218 Y N 2.721 123.035 120.300 0.023 0.000 2.922 4218 Y HA 0.281 4.831 4.550 0.000 0.000 0.379 4218 Y C -0.121 175.785 175.900 0.010 0.000 1.057 4218 Y CA -0.300 57.814 58.100 0.024 0.000 1.687 4218 Y CB -0.390 38.090 38.460 0.033 0.000 1.707 4218 Y HN 0.442 nan 8.280 nan 0.000 0.462 4219 K N 0.218 120.537 120.400 -0.135 0.000 2.702 4219 K HA 0.202 4.520 4.320 -0.003 0.000 0.182 4219 K C -0.349 176.191 176.600 -0.100 0.000 1.167 4219 K CA -0.001 56.184 56.287 -0.171 0.000 1.128 4219 K CB 0.170 32.502 32.500 -0.280 0.000 0.838 4219 K HN 0.396 nan 8.250 nan 0.000 0.491 4220 N N 0.994 119.660 118.700 -0.057 0.000 2.299 4220 N HA 0.170 4.908 4.740 -0.003 0.000 0.246 4220 N C -0.358 175.128 175.510 -0.040 0.000 1.254 4220 N CA -0.336 52.689 53.050 -0.041 0.000 0.879 4220 N CB 1.741 40.217 38.487 -0.018 0.000 1.214 4220 N HN 0.254 nan 8.380 nan 0.000 0.510 4221 G N 0.634 109.392 108.800 -0.070 0.000 2.428 4221 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.681 4221 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.681 4221 G C -1.192 173.673 174.900 -0.059 0.000 1.340 4221 G CA -1.012 44.025 45.100 -0.105 0.000 0.915 4221 G HN 0.223 nan 8.290 nan 0.000 0.645 4222 H N 0.575 119.669 119.070 0.039 0.000 3.167 4222 H HA -0.005 4.550 4.556 -0.001 0.000 0.306 4222 H C 1.825 177.184 175.328 0.052 0.000 0.965 4222 H CA 0.807 56.883 56.048 0.047 0.000 1.408 4222 H CB 0.915 30.700 29.762 0.038 0.000 1.406 4222 H HN 0.544 nan 8.280 nan 0.000 0.576 4223 I N 3.876 124.559 120.570 0.190 0.000 2.248 4223 I HA -0.280 3.887 4.170 -0.003 0.000 0.248 4223 I C 1.633 177.814 176.117 0.106 0.000 1.107 4223 I CA 1.420 62.799 61.300 0.132 0.000 1.373 4223 I CB -0.069 38.003 38.000 0.121 0.000 1.055 4223 I HN 0.566 nan 8.210 nan 0.000 0.418 4224 E N 0.580 120.843 120.200 0.105 0.000 2.038 4224 E HA -0.227 4.121 4.350 -0.003 0.000 0.195 4224 E C 1.960 178.604 176.600 0.073 0.000 1.000 4224 E CA 1.778 58.221 56.400 0.071 0.000 0.803 4224 E CB -0.558 29.169 29.700 0.044 0.000 0.750 4224 E HN 0.524 nan 8.360 nan 0.000 0.448 4225 D N 0.745 121.203 120.400 0.097 0.000 2.104 4225 D HA -0.178 4.460 4.640 -0.003 0.000 0.194 4225 D C 2.024 178.365 176.300 0.068 0.000 0.994 4225 D CA 1.142 55.193 54.000 0.084 0.000 0.830 4225 D CB -0.292 40.575 40.800 0.112 0.000 0.959 4225 D HN 0.314 nan 8.370 nan 0.000 0.452 4226 Q N 0.425 120.268 119.800 0.072 0.000 2.061 4226 Q HA -0.116 4.222 4.340 -0.003 0.000 0.204 4226 Q C 2.545 178.575 176.000 0.050 0.000 0.984 4226 Q CA 0.995 56.832 55.803 0.057 0.000 0.846 4226 Q CB -0.124 28.650 28.738 0.060 0.000 0.902 4226 Q HN 0.169 nan 8.270 nan 0.000 0.421 4227 V N 0.898 120.845 119.914 0.054 0.000 2.287 4227 V HA -0.285 3.833 4.120 -0.003 0.000 0.248 4227 V C 2.298 178.415 176.094 0.039 0.000 1.053 4227 V CA 1.506 63.833 62.300 0.045 0.000 1.027 4227 V CB -0.477 31.374 31.823 0.047 0.000 0.646 4227 V HN 0.423 nan 8.190 nan 0.000 0.447 4228 M N -0.497 119.127 119.600 0.041 0.000 2.159 4228 M HA -0.160 4.318 4.480 -0.003 0.000 0.263 4228 M C 2.178 178.496 176.300 0.031 0.000 1.063 4228 M CA 1.712 57.033 55.300 0.035 0.000 1.110 4228 M CB -1.136 31.485 32.600 0.036 0.000 1.374 4228 M HN 0.240 nan 8.290 nan 0.000 0.411 4229 K N 0.783 121.203 120.400 0.033 0.000 2.002 4229 K HA -0.022 4.296 4.320 -0.003 0.000 0.209 4229 K C 1.936 178.551 176.600 0.026 0.000 1.048 4229 K CA 1.219 57.524 56.287 0.029 0.000 0.930 4229 K CB -0.577 31.941 32.500 0.030 0.000 0.714 4229 K HN 0.274 nan 8.250 nan 0.000 0.438 4230 L N 0.262 121.501 121.223 0.028 0.000 2.131 4230 L HA -0.139 4.199 4.340 -0.003 0.000 0.210 4230 L C 1.651 178.535 176.870 0.022 0.000 1.092 4230 L CA 1.700 56.555 54.840 0.025 0.000 0.759 4230 L CB -0.655 41.421 42.059 0.028 0.000 0.903 4230 L HN 0.385 nan 8.230 nan 0.000 0.435 4231 T N -4.335 110.233 114.554 0.023 0.000 3.186 4231 T HA 0.058 4.405 4.350 -0.003 0.000 0.257 4231 T C 0.884 175.595 174.700 0.018 0.000 1.029 4231 T CA -0.361 61.751 62.100 0.020 0.000 0.916 4231 T CB -0.257 68.624 68.868 0.022 0.000 1.041 4231 T HN 0.332 nan 8.240 nan 0.000 0.562 4232 N N 1.442 120.153 118.700 0.018 0.000 2.725 4232 N HA -0.223 4.515 4.740 -0.003 0.000 0.251 4232 N C 1.063 176.583 175.510 0.017 0.000 1.031 4232 N CA 1.141 54.200 53.050 0.016 0.000 0.720 4232 N CB -1.593 36.902 38.487 0.013 0.000 0.930 4232 N HN 1.123 nan 8.380 nan 0.000 0.543 4233 G N -0.317 108.495 108.800 0.020 0.000 2.166 4233 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.260 4233 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.260 4233 G C 1.009 175.921 174.900 0.019 0.000 0.986 4233 G CA 0.935 46.047 45.100 0.021 0.000 0.683 4233 G HN 0.518 nan 8.290 nan 0.000 0.527 4234 K N 0.383 120.794 120.400 0.018 0.000 2.356 4234 K HA 0.364 4.682 4.320 -0.003 0.000 0.195 4234 K C 1.694 178.306 176.600 0.020 0.000 1.037 4234 K CA 0.999 57.296 56.287 0.017 0.000 1.014 4234 K CB -0.084 32.424 32.500 0.014 0.000 0.815 4234 K HN 1.623 nan 8.250 nan 0.000 0.507 4235 G N 1.185 109.999 108.800 0.024 0.000 2.796 4235 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.226 4235 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.226 4235 G C -0.186 174.729 174.900 0.025 0.000 1.381 4235 G CA -0.244 44.873 45.100 0.028 0.000 0.867 4235 G HN 0.191 nan 8.290 nan 0.000 0.552 4236 V N -3.033 116.898 119.914 0.028 0.000 2.994 4236 V HA 0.774 4.892 4.120 -0.003 0.000 0.318 4236 V C 0.945 177.054 176.094 0.025 0.000 1.085 4236 V CA 0.300 62.615 62.300 0.025 0.000 0.998 4236 V CB 1.944 33.782 31.823 0.026 0.000 1.063 4236 V HN 0.690 nan 8.190 nan 0.000 0.447 4237 D N 0.635 121.047 120.400 0.020 0.000 2.149 4237 D HA 0.054 4.692 4.640 -0.003 0.000 0.201 4237 D C 0.547 176.861 176.300 0.023 0.000 0.972 4237 D CA 1.307 55.318 54.000 0.019 0.000 0.835 4237 D CB 0.250 41.056 40.800 0.011 0.000 0.966 4237 D HN 0.474 nan 8.370 nan 0.000 0.476 4238 R N -0.137 120.376 120.500 0.021 0.000 2.771 4238 R HA 0.602 4.940 4.340 -0.003 0.000 0.274 4238 R C -0.929 175.385 176.300 0.024 0.000 0.987 4238 R CA -0.788 55.326 56.100 0.022 0.000 0.908 4238 R CB 2.435 32.743 30.300 0.012 0.000 1.213 4238 R HN -0.231 nan 8.270 nan 0.000 0.468 4239 V N 2.964 122.894 119.914 0.027 0.000 2.623 4239 V HA 0.516 4.634 4.120 -0.003 0.000 0.304 4239 V C -0.168 175.940 176.094 0.023 0.000 1.054 4239 V CA -0.723 61.593 62.300 0.027 0.000 0.882 4239 V CB 2.382 34.225 31.823 0.032 0.000 1.002 4239 V HN 0.568 nan 8.190 nan 0.000 0.424 4240 I N 4.951 125.533 120.570 0.020 0.000 2.362 4240 I HA 0.450 4.618 4.170 -0.003 0.000 0.289 4240 I C -0.193 175.938 176.117 0.022 0.000 0.994 4240 I CA -0.364 60.948 61.300 0.019 0.000 1.158 4240 I CB 1.704 39.714 38.000 0.015 0.000 1.315 4240 I HN 0.475 nan 8.210 nan 0.000 0.451 4241 M N 5.978 125.596 119.600 0.031 0.000 2.077 4241 M HA 0.361 4.838 4.480 -0.003 0.000 0.348 4241 M C 0.518 176.828 176.300 0.018 0.000 1.252 4241 M CA 0.008 55.328 55.300 0.034 0.000 1.096 4241 M CB 1.283 33.927 32.600 0.074 0.000 1.568 4241 M HN 0.750 nan 8.290 nan 0.000 0.456 4242 A N 2.860 125.677 122.820 -0.004 0.000 2.545 4242 A HA 0.697 5.015 4.320 -0.003 0.000 0.263 4242 A C 0.545 178.105 177.584 -0.040 0.000 1.202 4242 A CA 0.057 52.086 52.037 -0.015 0.000 0.959 4242 A CB 0.489 19.490 19.000 0.002 0.000 1.124 4242 A HN 0.848 nan 8.150 nan 0.000 0.543 4243 G N -2.457 106.307 108.800 -0.060 0.000 2.466 4243 G HA2 0.643 4.601 3.960 -0.003 0.000 0.291 4243 G HA3 0.643 4.601 3.960 -0.003 0.000 0.291 4243 G C -0.058 174.789 174.900 -0.088 0.000 1.460 4243 G CA 0.245 45.298 45.100 -0.078 0.000 0.791 4243 G HN 1.907 nan 8.290 nan 0.000 0.505 4244 G N -1.546 107.204 108.800 -0.083 0.000 2.631 4244 G HA2 0.507 4.465 3.960 -0.003 0.000 0.504 4244 G HA3 0.507 4.465 3.960 -0.003 0.000 0.504 4244 G C 0.515 175.418 174.900 0.005 0.000 1.306 4244 G CA 0.293 45.353 45.100 -0.066 0.000 0.897 4244 G HN 2.086 nan 8.290 nan 0.000 0.520 4245 G N -1.278 107.547 108.800 0.042 0.000 2.563 4245 G HA2 0.618 4.576 3.960 -0.003 0.000 0.283 4245 G HA3 0.618 4.576 3.960 -0.003 0.000 0.283 4245 G C 1.546 176.535 174.900 0.148 0.000 1.309 4245 G CA 1.033 46.187 45.100 0.091 0.000 1.022 4245 G HN 2.108 nan 8.290 nan 0.000 0.501 4246 S N -0.734 115.049 115.700 0.138 0.000 2.474 4246 S HA -0.129 4.339 4.470 -0.003 0.000 0.235 4246 S C 1.759 176.355 174.600 -0.005 0.000 0.997 4246 S CA 1.517 59.740 58.200 0.038 0.000 0.949 4246 S CB -0.193 62.964 63.200 -0.071 0.000 0.766 4246 S HN 0.758 nan 8.310 nan 0.000 0.517 4247 E N 2.323 122.535 120.200 0.020 0.000 2.338 4247 E HA -0.165 4.183 4.350 -0.003 0.000 0.197 4247 E C 1.707 178.312 176.600 0.010 0.000 1.007 4247 E CA 1.478 57.881 56.400 0.005 0.000 0.849 4247 E CB -1.367 28.347 29.700 0.024 0.000 0.774 4247 E HN 0.788 nan 8.360 nan 0.000 0.506 4248 T N -0.437 114.137 114.554 0.033 0.000 2.977 4248 T HA -0.130 4.218 4.350 -0.003 0.000 0.271 4248 T C 1.864 176.573 174.700 0.015 0.000 1.105 4248 T CA 0.954 63.073 62.100 0.033 0.000 1.116 4248 T CB -0.295 68.602 68.868 0.048 0.000 0.878 4248 T HN 0.126 nan 8.240 nan 0.000 0.509 4249 L N 1.581 122.797 121.223 -0.012 0.000 2.027 4249 L HA 0.102 4.440 4.340 -0.003 0.000 0.206 4249 L C 2.744 179.578 176.870 -0.059 0.000 1.074 4249 L CA 1.964 56.773 54.840 -0.052 0.000 0.745 4249 L CB -1.284 40.704 42.059 -0.118 0.000 0.898 4249 L HN 0.355 nan 8.230 nan 0.000 0.433 4250 S N -1.145 114.519 115.700 -0.060 0.000 2.368 4250 S HA -0.241 4.226 4.470 -0.003 0.000 0.225 4250 S C 1.917 176.502 174.600 -0.025 0.000 1.030 4250 S CA 1.553 59.720 58.200 -0.055 0.000 0.999 4250 S CB -0.232 62.935 63.200 -0.054 0.000 0.844 4250 S HN 0.692 nan 8.310 nan 0.000 0.459 4251 Q N 0.521 120.315 119.800 -0.009 0.000 2.084 4251 Q HA -0.059 4.279 4.340 -0.003 0.000 0.202 4251 Q C 2.565 178.576 176.000 0.019 0.000 0.978 4251 Q CA 1.484 57.293 55.803 0.011 0.000 0.844 4251 Q CB -0.447 28.308 28.738 0.029 0.000 0.898 4251 Q HN 0.692 nan 8.270 nan 0.000 0.426 4252 A N 0.706 123.535 122.820 0.016 0.000 1.877 4252 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 4252 A C 2.400 180.006 177.584 0.036 0.000 1.186 4252 A CA 1.427 53.479 52.037 0.025 0.000 0.620 4252 A CB -0.805 18.207 19.000 0.021 0.000 0.822 4252 A HN 0.210 nan 8.150 nan 0.000 0.443 4253 V N 0.249 120.178 119.914 0.026 0.000 2.332 4253 V HA -0.289 3.829 4.120 -0.003 0.000 0.248 4253 V C 2.386 178.525 176.094 0.076 0.000 1.055 4253 V CA 2.430 64.768 62.300 0.063 0.000 1.038 4253 V CB -0.678 31.160 31.823 0.025 0.000 0.651 4253 V HN 0.576 nan 8.190 nan 0.000 0.450 4254 K N 0.212 120.639 120.400 0.045 0.000 2.288 4254 K HA -0.051 4.267 4.320 -0.003 0.000 0.201 4254 K C 1.986 178.612 176.600 0.044 0.000 1.048 4254 K CA 1.591 57.904 56.287 0.042 0.000 0.956 4254 K CB -0.148 32.363 32.500 0.018 0.000 0.746 4254 K HN 0.643 nan 8.250 nan 0.000 0.461 4255 M N -1.168 118.459 119.600 0.044 0.000 2.492 4255 M HA 0.161 4.639 4.480 -0.003 0.000 0.255 4255 M C 0.602 176.929 176.300 0.045 0.000 1.139 4255 M CA 0.187 55.513 55.300 0.043 0.000 1.096 4255 M CB 0.458 33.084 32.600 0.042 0.000 1.360 4255 M HN -0.195 nan 8.290 nan 0.000 0.480 4256 V N 2.847 122.794 119.914 0.054 0.000 2.686 4256 V HA 0.272 4.390 4.120 -0.003 0.000 0.295 4256 V C -0.045 176.083 176.094 0.057 0.000 1.057 4256 V CA -0.611 61.722 62.300 0.055 0.000 1.012 4256 V CB 1.348 33.211 31.823 0.067 0.000 1.006 4256 V HN 0.375 nan 8.190 nan 0.000 0.477 4257 K N 5.665 126.093 120.400 0.046 0.000 2.219 4257 K HA 0.324 4.642 4.320 -0.003 0.000 0.258 4257 K C -2.482 174.145 176.600 0.045 0.000 1.008 4257 K CA -1.264 55.047 56.287 0.038 0.000 0.928 4257 K CB 0.211 32.726 32.500 0.026 0.000 0.983 4257 K HN 0.484 nan 8.250 nan 0.000 0.484 4258 P HA -0.016 nan 4.420 nan 0.000 0.268 4258 P C 0.388 177.709 177.300 0.035 0.000 1.204 4258 P CA 0.730 63.852 63.100 0.036 0.000 0.768 4258 P CB 0.685 32.398 31.700 0.021 0.000 0.842 4259 G N 1.640 110.477 108.800 0.063 0.000 2.199 4259 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.254 4259 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.254 4259 G C 0.674 175.604 174.900 0.050 0.000 0.982 4259 G CA -0.114 45.014 45.100 0.047 0.000 0.632 4259 G HN 0.874 nan 8.290 nan 0.000 0.529 4260 G N -0.600 108.235 108.800 0.058 0.000 2.588 4260 G HA2 0.600 4.558 3.960 -0.003 0.000 0.278 4260 G HA3 0.600 4.558 3.960 -0.003 0.000 0.278 4260 G C -0.150 174.793 174.900 0.072 0.000 1.307 4260 G CA -0.272 44.861 45.100 0.056 0.000 1.016 4260 G HN 0.788 nan 8.290 nan 0.000 0.503 4261 I N -0.381 120.224 120.570 0.060 0.000 2.582 4261 I HA 0.345 4.513 4.170 -0.003 0.000 0.292 4261 I C -0.750 175.400 176.117 0.055 0.000 1.066 4261 I CA -0.499 60.838 61.300 0.063 0.000 1.053 4261 I CB 2.440 40.467 38.000 0.044 0.000 1.241 4261 I HN 0.181 nan 8.210 nan 0.000 0.421 4262 I N 4.170 124.777 120.570 0.061 0.000 2.362 4262 I HA 0.282 4.449 4.170 -0.003 0.000 0.289 4262 I C -0.063 176.075 176.117 0.035 0.000 0.994 4262 I CA -0.291 61.037 61.300 0.047 0.000 1.158 4262 I CB 1.884 39.912 38.000 0.047 0.000 1.315 4262 I HN 0.465 nan 8.210 nan 0.000 0.451 4263 S N 5.553 121.268 115.700 0.025 0.000 2.566 4263 S HA 0.368 4.835 4.470 -0.003 0.000 0.324 4263 S C -0.645 173.971 174.600 0.027 0.000 1.081 4263 S CA -0.660 57.548 58.200 0.013 0.000 1.105 4263 S CB 0.574 63.766 63.200 -0.012 0.000 0.981 4263 S HN 0.637 nan 8.310 nan 0.000 0.464 4264 N N 3.940 122.666 118.700 0.043 0.000 2.438 4264 N HA 0.477 5.215 4.740 -0.003 0.000 0.282 4264 N C 0.433 175.985 175.510 0.070 0.000 1.037 4264 N CA -0.514 52.581 53.050 0.075 0.000 0.942 4264 N CB 0.703 39.264 38.487 0.124 0.000 1.136 4264 N HN 0.731 nan 8.380 nan 0.000 0.481 4265 I N -1.079 119.525 120.570 0.057 0.000 4.160 4265 I HA 0.430 4.598 4.170 -0.003 0.000 0.325 4265 I C -0.219 175.913 176.117 0.025 0.000 1.455 4265 I CA -0.623 60.709 61.300 0.054 0.000 1.142 4265 I CB -0.054 37.981 38.000 0.058 0.000 1.262 4265 I HN 0.260 nan 8.210 nan 0.000 0.483 4266 N N 2.294 120.988 118.700 -0.009 0.000 2.422 4266 N HA 0.050 4.788 4.740 -0.003 0.000 0.264 4266 N C -0.857 174.561 175.510 -0.154 0.000 1.063 4266 N CA -0.301 52.670 53.050 -0.132 0.000 0.959 4266 N CB 0.543 38.858 38.487 -0.285 0.000 1.087 4266 N HN 0.273 nan 8.380 nan 0.000 0.483 4267 Y N 5.824 125.998 120.300 -0.211 0.000 2.613 4267 Y HA 0.156 4.705 4.550 -0.002 0.000 0.354 4267 Y C -0.304 175.411 175.900 -0.308 0.000 1.063 4267 Y CA -0.815 57.185 58.100 -0.165 0.000 1.384 4267 Y CB -0.776 37.636 38.460 -0.080 0.000 1.199 4267 Y HN 0.484 nan 8.280 nan 0.000 0.517 4268 H N 4.912 124.054 119.070 0.120 0.000 3.160 4268 H HA 0.137 4.691 4.556 -0.004 0.000 0.257 4268 H C 0.983 176.217 175.328 -0.157 0.000 1.140 4268 H CA 0.710 56.709 56.048 -0.081 0.000 1.492 4268 H CB 0.578 30.333 29.762 -0.012 0.000 1.529 4268 H HN 0.935 nan 8.280 nan 0.000 0.490 4269 G N 2.209 110.689 108.800 -0.533 0.000 3.337 4269 G HA2 0.051 4.009 3.960 -0.003 0.000 0.246 4269 G HA3 0.051 4.009 3.960 -0.003 0.000 0.246 4269 G C 0.421 175.244 174.900 -0.127 0.000 1.131 4269 G CA -0.008 44.834 45.100 -0.431 0.000 0.773 4269 G HN 0.500 nan 8.290 nan 0.000 0.544 4270 S N -1.232 114.436 115.700 -0.052 0.000 2.579 4270 S HA 0.718 5.186 4.470 -0.003 0.000 0.272 4270 S C -0.220 174.394 174.600 0.023 0.000 1.141 4270 S CA 0.651 58.858 58.200 0.012 0.000 0.843 4270 S CB 1.309 64.530 63.200 0.034 0.000 1.122 4270 S HN 1.736 nan 8.310 nan 0.000 0.468 4271 G N 2.742 111.554 108.800 0.021 0.000 2.705 4271 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.686 4271 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.686 4271 G C -0.296 174.604 174.900 -0.000 0.000 1.285 4271 G CA 0.139 45.245 45.100 0.009 0.000 0.800 4271 G HN 0.722 nan 8.290 nan 0.000 0.611 4272 D N 0.193 120.588 120.400 -0.009 0.000 2.213 4272 D HA 0.469 5.107 4.640 -0.003 0.000 0.205 4272 D C 1.455 177.736 176.300 -0.033 0.000 0.961 4272 D CA 2.431 56.421 54.000 -0.015 0.000 0.853 4272 D CB 0.249 41.040 40.800 -0.014 0.000 0.967 4272 D HN 1.200 nan 8.370 nan 0.000 0.496 4273 A N -0.903 121.890 122.820 -0.047 0.000 2.599 4273 A HA 0.632 4.949 4.320 -0.003 0.000 0.290 4273 A C -1.969 175.554 177.584 -0.101 0.000 1.101 4273 A CA -0.647 51.346 52.037 -0.074 0.000 0.674 4273 A CB 0.802 19.761 19.000 -0.068 0.000 1.277 4273 A HN 0.008 nan 8.150 nan 0.000 0.419 4274 L N 0.405 121.544 121.223 -0.139 0.000 2.341 4274 L HA 0.627 4.965 4.340 -0.003 0.000 0.278 4274 L C -0.874 175.903 176.870 -0.156 0.000 1.005 4274 L CA -0.225 54.512 54.840 -0.172 0.000 0.818 4274 L CB 1.439 43.343 42.059 -0.258 0.000 1.259 4274 L HN 0.568 nan 8.230 nan 0.000 0.418 4275 L N 4.228 125.370 121.223 -0.135 0.000 2.312 4275 L HA 0.482 4.820 4.340 -0.003 0.000 0.281 4275 L C -0.231 176.536 176.870 -0.172 0.000 1.070 4275 L CA 0.068 54.827 54.840 -0.136 0.000 0.805 4275 L CB 1.142 43.145 42.059 -0.093 0.000 1.174 4275 L HN 0.404 nan 8.230 nan 0.000 0.434 4276 I N 5.288 125.726 120.570 -0.221 0.000 2.354 4276 I HA 0.276 4.444 4.170 -0.003 0.000 0.286 4276 I C -1.873 174.137 176.117 -0.178 0.000 1.007 4276 I CA -1.775 59.342 61.300 -0.305 0.000 1.167 4276 I CB 1.591 39.230 38.000 -0.603 0.000 1.320 4276 I HN 0.452 nan 8.210 nan 0.000 0.458 4277 P HA 0.061 nan 4.420 nan 0.000 0.265 4277 P C 0.492 177.822 177.300 0.050 0.000 1.222 4277 P CA -0.066 63.020 63.100 -0.024 0.000 0.767 4277 P CB 0.958 32.650 31.700 -0.012 0.000 0.801 4278 R N 3.031 123.568 120.500 0.061 0.000 2.097 4278 R HA -0.148 4.190 4.340 -0.003 0.000 0.236 4278 R C 1.674 178.063 176.300 0.147 0.000 1.135 4278 R CA 2.160 58.340 56.100 0.133 0.000 0.934 4278 R CB -0.707 29.644 30.300 0.086 0.000 0.846 4278 R HN 0.245 nan 8.270 nan 0.000 0.431 4279 V N 1.052 121.019 119.914 0.088 0.000 2.255 4279 V HA -0.243 3.875 4.120 -0.003 0.000 0.247 4279 V C 1.930 178.077 176.094 0.089 0.000 1.051 4279 V CA 2.296 64.638 62.300 0.070 0.000 1.018 4279 V CB -0.612 31.236 31.823 0.042 0.000 0.641 4279 V HN 0.392 nan 8.190 nan 0.000 0.445 4280 E N -1.491 118.768 120.200 0.098 0.000 2.472 4280 E HA -0.174 4.174 4.350 -0.003 0.000 0.200 4280 E C 1.407 178.124 176.600 0.195 0.000 1.046 4280 E CA 0.558 57.025 56.400 0.110 0.000 0.871 4280 E CB -0.194 29.556 29.700 0.082 0.000 0.806 4280 E HN 0.783 nan 8.360 nan 0.000 0.533 4281 W N 0.517 121.812 121.300 -0.009 0.000 3.194 4281 W HA 0.312 4.970 4.660 -0.003 0.000 0.408 4281 W C 0.840 177.352 176.519 -0.011 0.000 1.072 4281 W CA 0.256 57.594 57.345 -0.010 0.000 1.953 4281 W CB -0.047 29.403 29.460 -0.017 0.000 1.091 4281 W HN 0.080 nan 8.180 nan 0.000 0.699 4282 G N 1.278 110.100 108.800 0.036 0.000 2.341 4282 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.292 4282 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.292 4282 G C 0.797 175.642 174.900 -0.092 0.000 1.021 4282 G CA 0.163 45.228 45.100 -0.058 0.000 0.905 4282 G HN 0.656 nan 8.290 nan 0.000 0.508 4283 C N -2.447 116.858 119.300 0.009 0.000 4.331 4283 C HA -0.001 4.457 4.460 -0.003 0.000 0.293 4283 C C 2.350 177.298 174.990 -0.071 0.000 1.436 4283 C CA 1.417 60.450 59.018 0.025 0.000 1.993 4283 C CB -1.756 25.981 27.740 -0.005 0.000 1.266 4283 C HN 2.752 nan 8.230 nan 0.000 0.795 4284 G N -1.195 107.422 108.800 -0.306 0.000 2.132 4284 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.234 4284 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.234 4284 G C 0.147 174.566 174.900 -0.801 0.000 0.989 4284 G CA 0.508 45.051 45.100 -0.928 0.000 0.676 4284 G HN 0.724 nan 8.290 nan 0.000 0.522 4285 M N -0.483 118.765 119.600 -0.585 0.000 2.414 4285 M HA 0.419 4.897 4.480 -0.003 0.000 0.357 4285 M C 1.732 177.816 176.300 -0.359 0.000 1.059 4285 M CA 0.580 55.618 55.300 -0.438 0.000 0.959 4285 M CB 1.089 33.545 32.600 -0.239 0.000 1.522 4285 M HN 0.407 nan 8.290 nan 0.000 0.551 4286 A N -0.960 121.606 122.820 -0.423 0.000 2.278 4286 A HA 0.089 4.407 4.320 -0.003 0.000 0.212 4286 A C 0.198 177.739 177.584 -0.073 0.000 1.213 4286 A CA 0.249 52.170 52.037 -0.193 0.000 0.840 4286 A CB -0.871 18.027 19.000 -0.169 0.000 0.866 4286 A HN 0.717 nan 8.150 nan 0.000 0.489 4287 H N -0.778 118.143 119.070 -0.248 0.000 2.741 4287 H HA -0.152 4.402 4.556 -0.004 0.000 0.305 4287 H C -0.222 175.068 175.328 -0.063 0.000 1.169 4287 H CA 1.351 57.317 56.048 -0.137 0.000 1.144 4287 H CB -1.590 28.123 29.762 -0.081 0.000 1.397 4287 H HN 0.556 nan 8.280 nan 0.000 0.409 4288 K N 1.350 121.747 120.400 -0.006 0.000 2.231 4288 K HA 0.184 4.502 4.320 -0.003 0.000 0.255 4288 K C 0.046 176.828 176.600 0.302 0.000 1.108 4288 K CA -0.243 56.146 56.287 0.170 0.000 0.997 4288 K CB 0.863 33.524 32.500 0.269 0.000 1.549 4288 K HN 0.134 nan 8.250 nan 0.000 0.419 4289 T N 3.115 117.785 114.554 0.193 0.000 2.916 4289 T HA 0.185 4.533 4.350 -0.003 0.000 0.303 4289 T C 0.466 175.264 174.700 0.162 0.000 1.025 4289 T CA 0.127 62.335 62.100 0.180 0.000 1.142 4289 T CB 0.438 69.376 68.868 0.117 0.000 0.947 4289 T HN 0.322 nan 8.240 nan 0.000 0.544 4290 I N 3.603 124.260 120.570 0.145 0.000 2.389 4290 I HA 0.401 4.569 4.170 -0.003 0.000 0.288 4290 I C 0.240 176.389 176.117 0.052 0.000 0.999 4290 I CA -0.692 60.653 61.300 0.074 0.000 1.129 4290 I CB 1.374 39.383 38.000 0.014 0.000 1.288 4290 I HN 0.391 nan 8.210 nan 0.000 0.444 4291 K N 3.964 124.389 120.400 0.042 0.000 2.340 4291 K HA 0.881 5.199 4.320 -0.003 0.000 0.244 4291 K C -0.438 176.184 176.600 0.036 0.000 0.973 4291 K CA -1.028 55.282 56.287 0.039 0.000 0.828 4291 K CB 2.643 35.163 32.500 0.034 0.000 1.226 4291 K HN 0.764 nan 8.250 nan 0.000 0.437 4292 G N 0.081 108.911 108.800 0.050 0.000 2.505 4292 G HA2 0.540 4.498 3.960 -0.003 0.000 0.292 4292 G HA3 0.540 4.498 3.960 -0.003 0.000 0.292 4292 G C -1.203 173.763 174.900 0.110 0.000 1.332 4292 G CA -0.546 44.596 45.100 0.070 0.000 1.286 4292 G HN 0.699 nan 8.290 nan 0.000 0.606 4293 G N 0.461 109.349 108.800 0.148 0.000 2.718 4293 G HA2 0.671 4.629 3.960 -0.003 0.000 0.295 4293 G HA3 0.671 4.629 3.960 -0.003 0.000 0.295 4293 G C -1.070 173.967 174.900 0.228 0.000 1.421 4293 G CA -0.865 44.380 45.100 0.241 0.000 0.902 4293 G HN 1.127 nan 8.290 nan 0.000 0.501 4294 L N 1.779 123.087 121.223 0.143 0.000 2.456 4294 L HA 0.485 4.823 4.340 -0.003 0.000 0.272 4294 L C 1.284 178.093 176.870 -0.102 0.000 1.189 4294 L CA -0.887 53.938 54.840 -0.026 0.000 0.846 4294 L CB 0.325 42.329 42.059 -0.091 0.000 1.111 4294 L HN 0.821 nan 8.230 nan 0.000 0.475 4295 C N 4.256 123.452 119.300 -0.174 0.000 2.662 4295 C HA 0.498 4.956 4.460 -0.003 0.000 0.420 4295 C C -2.074 172.729 174.990 -0.313 0.000 1.314 4295 C CA -1.408 57.449 59.018 -0.268 0.000 1.963 4295 C CB -0.369 27.268 27.740 -0.172 0.000 2.686 4295 C HN 0.768 nan 8.230 nan 0.000 0.609 4296 P HA 0.548 nan 4.420 nan 0.000 0.274 4296 P C 0.375 177.615 177.300 -0.100 0.000 1.231 4296 P CA 0.561 63.527 63.100 -0.224 0.000 0.790 4296 P CB 0.830 32.410 31.700 -0.200 0.000 0.951 4297 G N -0.618 108.170 108.800 -0.021 0.000 3.166 4297 G HA2 0.709 4.666 3.960 -0.003 0.000 0.267 4297 G HA3 0.709 4.666 3.960 -0.003 0.000 0.267 4297 G C -0.435 174.576 174.900 0.185 0.000 1.256 4297 G CA -0.624 44.505 45.100 0.049 0.000 0.859 4297 G HN 0.793 nan 8.290 nan 0.000 0.590 4298 G N -1.378 107.563 108.800 0.235 0.000 2.699 4298 G HA2 -0.044 3.914 3.960 -0.003 0.000 0.686 4298 G HA3 -0.044 3.914 3.960 -0.003 0.000 0.686 4298 G C 0.708 175.718 174.900 0.183 0.000 1.301 4298 G CA 0.613 45.936 45.100 0.373 0.000 0.816 4298 G HN 0.927 nan 8.290 nan 0.000 0.595 4299 R N 0.186 120.756 120.500 0.116 0.000 2.096 4299 R HA -0.105 4.233 4.340 -0.003 0.000 0.240 4299 R C 2.732 179.057 176.300 0.043 0.000 1.139 4299 R CA 2.394 58.535 56.100 0.069 0.000 0.952 4299 R CB -0.339 29.998 30.300 0.061 0.000 0.854 4299 R HN 0.763 nan 8.270 nan 0.000 0.436 4300 L N 1.154 122.371 121.223 -0.010 0.000 2.012 4300 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 4300 L C 2.505 179.396 176.870 0.036 0.000 1.073 4300 L CA 2.027 56.864 54.840 -0.005 0.000 0.748 4300 L CB -0.682 41.348 42.059 -0.049 0.000 0.891 4300 L HN 0.139 nan 8.230 nan 0.000 0.431 4301 R N 0.089 120.624 120.500 0.058 0.000 2.091 4301 R HA -0.088 4.250 4.340 -0.003 0.000 0.238 4301 R C 2.116 178.444 176.300 0.046 0.000 1.136 4301 R CA 1.871 58.008 56.100 0.061 0.000 0.959 4301 R CB -0.987 29.354 30.300 0.068 0.000 0.856 4301 R HN 0.487 nan 8.270 nan 0.000 0.437 4302 A N 0.437 123.287 122.820 0.050 0.000 1.930 4302 A HA -0.109 4.209 4.320 -0.003 0.000 0.217 4302 A C 1.966 179.573 177.584 0.038 0.000 1.175 4302 A CA 1.568 53.627 52.037 0.037 0.000 0.627 4302 A CB -0.426 18.604 19.000 0.050 0.000 0.815 4302 A HN 0.544 nan 8.150 nan 0.000 0.443 4303 E N -0.506 119.724 120.200 0.050 0.000 2.106 4303 E HA -0.148 4.200 4.350 -0.003 0.000 0.192 4303 E C 2.304 178.933 176.600 0.048 0.000 0.984 4303 E CA 0.852 57.281 56.400 0.049 0.000 0.806 4303 E CB -0.134 29.597 29.700 0.053 0.000 0.750 4303 E HN 0.532 nan 8.360 nan 0.000 0.458 4304 R N 0.479 121.012 120.500 0.056 0.000 2.075 4304 R HA -0.051 4.287 4.340 -0.003 0.000 0.232 4304 R C 2.466 178.816 176.300 0.083 0.000 1.126 4304 R CA 0.913 57.060 56.100 0.077 0.000 0.963 4304 R CB -0.191 30.157 30.300 0.081 0.000 0.858 4304 R HN 0.151 nan 8.270 nan 0.000 0.435 4305 L N 0.116 121.370 121.223 0.053 0.000 2.056 4305 L HA -0.117 4.221 4.340 -0.003 0.000 0.207 4305 L C 2.791 179.666 176.870 0.009 0.000 1.078 4305 L CA 1.141 55.993 54.840 0.019 0.000 0.749 4305 L CB -0.504 41.519 42.059 -0.061 0.000 0.901 4305 L HN 0.204 nan 8.230 nan 0.000 0.433 4306 R N 0.633 121.137 120.500 0.005 0.000 2.083 4306 R HA -0.201 4.137 4.340 -0.003 0.000 0.237 4306 R C 1.788 178.074 176.300 -0.023 0.000 1.137 4306 R CA 2.184 58.279 56.100 -0.008 0.000 0.951 4306 R CB -0.248 30.052 30.300 -0.000 0.000 0.851 4306 R HN 0.293 nan 8.270 nan 0.000 0.434 4307 D N 0.412 120.807 120.400 -0.009 0.000 2.144 4307 D HA -0.174 4.463 4.640 -0.003 0.000 0.199 4307 D C 1.993 178.307 176.300 0.024 0.000 0.984 4307 D CA 1.406 55.370 54.000 -0.060 0.000 0.834 4307 D CB -0.178 40.657 40.800 0.057 0.000 0.955 4307 D HN 0.365 nan 8.370 nan 0.000 0.465 4308 M N -0.005 119.674 119.600 0.133 0.000 2.117 4308 M HA -0.135 4.343 4.480 -0.003 0.000 0.262 4308 M C 2.236 178.624 176.300 0.146 0.000 1.065 4308 M CA 0.853 56.276 55.300 0.204 0.000 1.114 4308 M CB -0.067 32.666 32.600 0.221 0.000 1.361 4308 M HN -0.087 nan 8.290 nan 0.000 0.408 4309 V N -0.428 119.527 119.914 0.068 0.000 2.295 4309 V HA -0.206 3.912 4.120 -0.003 0.000 0.246 4309 V C 2.313 178.414 176.094 0.013 0.000 1.049 4309 V CA 1.527 63.858 62.300 0.050 0.000 1.024 4309 V CB -0.632 31.201 31.823 0.017 0.000 0.648 4309 V HN 0.271 nan 8.190 nan 0.000 0.447 4310 V N -1.213 118.649 119.914 -0.088 0.000 2.469 4310 V HA -0.239 3.879 4.120 -0.003 0.000 0.251 4310 V C 1.924 177.912 176.094 -0.176 0.000 1.064 4310 V CA 1.732 63.917 62.300 -0.192 0.000 1.066 4310 V CB -0.764 30.837 31.823 -0.371 0.000 0.667 4310 V HN 0.603 nan 8.190 nan 0.000 0.461 4311 Y N 0.044 120.375 120.300 0.052 0.000 2.495 4311 Y HA 0.249 4.797 4.550 -0.004 0.000 0.293 4311 Y C 1.170 177.104 175.900 0.056 0.000 1.186 4311 Y CA -0.889 57.241 58.100 0.049 0.000 1.266 4311 Y CB -1.583 36.905 38.460 0.046 0.000 1.101 4311 Y HN 0.441 nan 8.280 nan 0.000 0.517 4312 N N -0.367 118.437 118.700 0.173 0.000 2.721 4312 N HA -0.243 4.495 4.740 -0.003 0.000 0.249 4312 N C 0.845 176.446 175.510 0.151 0.000 1.072 4312 N CA 0.183 53.321 53.050 0.146 0.000 0.710 4312 N CB -0.296 38.266 38.487 0.124 0.000 0.993 4312 N HN 0.171 nan 8.380 nan 0.000 0.547 4313 R N -0.098 120.506 120.500 0.174 0.000 2.153 4313 R HA 0.188 4.526 4.340 -0.003 0.000 0.218 4313 R C 0.679 177.085 176.300 0.176 0.000 1.072 4313 R CA 0.625 56.821 56.100 0.159 0.000 0.990 4313 R CB 0.124 30.533 30.300 0.181 0.000 0.889 4313 R HN 0.300 nan 8.270 nan 0.000 0.452 4314 V N 0.860 120.900 119.914 0.211 0.000 2.969 4314 V HA 0.232 4.350 4.120 -0.003 0.000 0.304 4314 V C -1.892 174.367 176.094 0.275 0.000 1.192 4314 V CA -1.085 61.376 62.300 0.269 0.000 0.962 4314 V CB 2.687 34.707 31.823 0.329 0.000 1.045 4314 V HN -0.019 nan 8.190 nan 0.000 0.428 4315 D N 4.863 125.502 120.400 0.397 0.000 2.443 4315 D HA 0.347 4.984 4.640 -0.003 0.000 0.221 4315 D C 0.872 177.424 176.300 0.420 0.000 1.097 4315 D CA -0.162 54.059 54.000 0.369 0.000 0.865 4315 D CB 1.290 42.353 40.800 0.440 0.000 1.034 4315 D HN 0.527 nan 8.370 nan 0.000 0.511 4316 L N 2.531 123.904 121.223 0.250 0.000 2.478 4316 L HA -0.073 4.265 4.340 -0.003 0.000 0.223 4316 L C 2.323 179.288 176.870 0.158 0.000 1.140 4316 L CA 0.474 55.436 54.840 0.203 0.000 0.842 4316 L CB -0.345 41.766 42.059 0.086 0.000 0.953 4316 L HN 0.373 nan 8.230 nan 0.000 0.452 4317 S N -0.351 115.413 115.700 0.108 0.000 2.400 4317 S HA -0.181 4.287 4.470 -0.003 0.000 0.232 4317 S C 1.911 176.511 174.600 0.000 0.000 1.025 4317 S CA 0.751 58.971 58.200 0.033 0.000 0.993 4317 S CB -0.224 62.973 63.200 -0.004 0.000 0.808 4317 S HN 0.297 nan 8.310 nan 0.000 0.478 4318 K N 1.296 121.684 120.400 -0.020 0.000 2.360 4318 K HA 0.141 4.459 4.320 -0.003 0.000 0.201 4318 K C 1.884 178.518 176.600 0.056 0.000 1.046 4318 K CA 0.657 56.876 56.287 -0.113 0.000 0.945 4318 K CB -0.597 31.660 32.500 -0.406 0.000 0.750 4318 K HN 0.510 nan 8.250 nan 0.000 0.464 4319 L N 0.502 121.814 121.223 0.148 0.000 2.179 4319 L HA -0.028 4.310 4.340 -0.003 0.000 0.208 4319 L C 0.664 177.581 176.870 0.079 0.000 1.096 4319 L CA 0.276 55.196 54.840 0.134 0.000 0.779 4319 L CB -0.000 42.129 42.059 0.118 0.000 0.922 4319 L HN -0.224 nan 8.230 nan 0.000 0.443 4320 V N 0.722 120.668 119.914 0.053 0.000 2.372 4320 V HA 0.041 4.159 4.120 -0.003 0.000 0.261 4320 V C 1.297 177.410 176.094 0.033 0.000 1.055 4320 V CA 0.399 62.725 62.300 0.043 0.000 0.930 4320 V CB 0.677 32.512 31.823 0.021 0.000 1.031 4320 V HN 0.380 nan 8.190 nan 0.000 0.479 4321 T N 0.675 115.283 114.554 0.091 0.000 3.039 4321 T HA 0.120 4.468 4.350 -0.003 0.000 0.250 4321 T C 0.510 175.209 174.700 -0.002 0.000 1.052 4321 T CA 0.351 62.501 62.100 0.082 0.000 1.125 4321 T CB 0.025 69.022 68.868 0.214 0.000 0.908 4321 T HN 0.582 nan 8.240 nan 0.000 0.473 4322 H N 0.448 119.483 119.070 -0.057 0.000 2.587 4322 H HA 0.718 5.272 4.556 -0.004 0.000 0.325 4322 H C -1.178 174.048 175.328 -0.170 0.000 1.012 4322 H CA -0.822 55.142 56.048 -0.140 0.000 1.213 4322 H CB 1.664 31.412 29.762 -0.023 0.000 1.431 4322 H HN 0.054 nan 8.280 nan 0.000 0.492 4323 V N 4.838 124.597 119.914 -0.257 0.000 2.448 4323 V HA 0.346 4.464 4.120 -0.003 0.000 0.295 4323 V C -0.883 174.961 176.094 -0.417 0.000 1.025 4323 V CA -0.773 61.395 62.300 -0.219 0.000 0.859 4323 V CB 0.638 32.367 31.823 -0.158 0.000 0.988 4323 V HN 0.650 nan 8.190 nan 0.000 0.431 4324 Y N 2.272 122.433 120.300 -0.231 0.000 2.524 4324 Y HA 0.660 5.207 4.550 -0.004 0.000 0.344 4324 Y C -0.098 175.553 175.900 -0.416 0.000 1.012 4324 Y CA -0.877 57.028 58.100 -0.326 0.000 1.068 4324 Y CB 1.830 40.068 38.460 -0.370 0.000 1.249 4324 Y HN 0.627 nan 8.280 nan 0.000 0.468 4325 H N 0.286 119.306 119.070 -0.083 0.000 2.646 4325 H HA 0.642 5.195 4.556 -0.004 0.000 0.328 4325 H C -0.243 175.154 175.328 0.115 0.000 0.998 4325 H CA -0.450 55.599 56.048 0.002 0.000 1.225 4325 H CB 1.475 31.229 29.762 -0.014 0.000 1.457 4325 H HN 0.890 nan 8.280 nan 0.000 0.505 4326 G N 2.046 110.974 108.800 0.213 0.000 3.101 4326 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.672 4326 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.672 4326 G C -0.086 174.976 174.900 0.269 0.000 1.331 4326 G CA -0.865 44.392 45.100 0.263 0.000 0.925 4326 G HN 0.431 nan 8.290 nan 0.000 0.596 4327 F N 1.415 121.403 119.950 0.063 0.000 2.087 4327 F HA -0.117 4.408 4.527 -0.004 0.000 0.299 4327 F C 2.383 178.209 175.800 0.043 0.000 1.100 4327 F CA 2.436 60.467 58.000 0.052 0.000 1.226 4327 F CB 0.009 39.017 39.000 0.013 0.000 0.983 4327 F HN 0.565 nan 8.300 nan 0.000 0.479 4328 D N -1.365 119.124 120.400 0.148 0.000 2.228 4328 D HA -0.214 4.424 4.640 -0.003 0.000 0.203 4328 D C 1.801 178.047 176.300 -0.090 0.000 0.988 4328 D CA 1.506 55.462 54.000 -0.073 0.000 0.864 4328 D CB -0.690 39.964 40.800 -0.245 0.000 0.928 4328 D HN 0.466 nan 8.370 nan 0.000 0.469 4329 H N -0.153 118.901 119.070 -0.027 0.000 2.563 4329 H HA 0.134 4.688 4.556 -0.004 0.000 0.272 4329 H C 2.050 177.166 175.328 -0.355 0.000 1.005 4329 H CA 0.014 55.941 56.048 -0.201 0.000 1.171 4329 H CB 0.009 29.643 29.762 -0.214 0.000 1.351 4329 H HN 0.158 nan 8.280 nan 0.000 0.602 4330 I N 0.327 120.792 120.570 -0.175 0.000 2.286 4330 I HA -0.266 3.901 4.170 -0.003 0.000 0.248 4330 I C 2.480 178.167 176.117 -0.717 0.000 1.115 4330 I CA 1.356 62.367 61.300 -0.482 0.000 1.392 4330 I CB -0.132 37.556 38.000 -0.519 0.000 1.065 4330 I HN 0.441 nan 8.210 nan 0.000 0.418 4331 E N 1.105 120.847 120.200 -0.763 0.000 2.023 4331 E HA -0.318 4.029 4.350 -0.003 0.000 0.196 4331 E C 2.126 178.504 176.600 -0.370 0.000 1.003 4331 E CA 1.791 57.685 56.400 -0.843 0.000 0.809 4331 E CB -0.099 29.299 29.700 -0.503 0.000 0.755 4331 E HN 0.436 nan 8.360 nan 0.000 0.449 4332 E N -0.048 119.984 120.200 -0.280 0.000 2.085 4332 E HA -0.247 4.101 4.350 -0.003 0.000 0.194 4332 E C 1.934 178.384 176.600 -0.250 0.000 0.994 4332 E CA 1.148 57.428 56.400 -0.201 0.000 0.801 4332 E CB -0.198 29.401 29.700 -0.169 0.000 0.743 4332 E HN 0.331 nan 8.360 nan 0.000 0.453 4333 A N 1.185 123.761 122.820 -0.408 0.000 1.883 4333 A HA -0.196 4.122 4.320 -0.003 0.000 0.217 4333 A C 2.182 179.652 177.584 -0.189 0.000 1.186 4333 A CA 1.550 53.369 52.037 -0.364 0.000 0.624 4333 A CB -0.819 17.925 19.000 -0.427 0.000 0.822 4333 A HN 0.412 nan 8.150 nan 0.000 0.444 4334 L N -0.124 120.983 121.223 -0.192 0.000 2.042 4334 L HA -0.097 4.241 4.340 -0.003 0.000 0.210 4334 L C 2.190 179.068 176.870 0.012 0.000 1.076 4334 L CA 1.663 56.476 54.840 -0.045 0.000 0.749 4334 L CB -0.540 41.537 42.059 0.030 0.000 0.893 4334 L HN 0.413 nan 8.230 nan 0.000 0.432 4335 L N -1.276 119.945 121.223 -0.003 0.000 2.353 4335 L HA -0.208 4.130 4.340 -0.003 0.000 0.220 4335 L C 2.396 179.260 176.870 -0.011 0.000 1.133 4335 L CA 0.667 55.523 54.840 0.027 0.000 0.798 4335 L CB -0.454 41.618 42.059 0.021 0.000 0.922 4335 L HN 0.358 nan 8.230 nan 0.000 0.445 4336 L N -1.100 120.098 121.223 -0.043 0.000 2.109 4336 L HA -0.175 4.163 4.340 -0.003 0.000 0.207 4336 L C 2.516 179.355 176.870 -0.053 0.000 1.086 4336 L CA 0.756 55.560 54.840 -0.060 0.000 0.760 4336 L CB -0.287 41.709 42.059 -0.104 0.000 0.910 4336 L HN 0.314 nan 8.230 nan 0.000 0.437 4337 M N -0.373 119.206 119.600 -0.035 0.000 2.446 4337 M HA -0.185 4.293 4.480 -0.003 0.000 0.263 4337 M C 2.034 178.317 176.300 -0.027 0.000 1.066 4337 M CA 1.434 56.717 55.300 -0.028 0.000 1.087 4337 M CB -0.965 31.631 32.600 -0.007 0.000 1.406 4337 M HN 0.227 nan 8.290 nan 0.000 0.459 4338 K N 0.377 120.769 120.400 -0.013 0.000 2.078 4338 K HA -0.076 4.241 4.320 -0.003 0.000 0.203 4338 K C 1.262 177.829 176.600 -0.055 0.000 1.043 4338 K CA 0.932 57.201 56.287 -0.029 0.000 0.960 4338 K CB 0.298 32.788 32.500 -0.017 0.000 0.761 4338 K HN 0.148 nan 8.250 nan 0.000 0.448 4339 D N 1.283 121.654 120.400 -0.048 0.000 2.234 4339 D HA -0.066 4.571 4.640 -0.003 0.000 0.205 4339 D C -0.418 175.863 176.300 -0.032 0.000 0.962 4339 D CA 0.584 54.558 54.000 -0.044 0.000 0.855 4339 D CB 0.095 40.874 40.800 -0.035 0.000 0.951 4339 D HN 0.151 nan 8.370 nan 0.000 0.500 4340 K N 1.590 121.969 120.400 -0.035 0.000 5.294 4340 K HA -0.131 4.187 4.320 -0.003 0.000 0.344 4340 K C -2.439 174.152 176.600 -0.015 0.000 0.909 4340 K CA 0.004 56.273 56.287 -0.030 0.000 1.081 4340 K CB -0.989 31.499 32.500 -0.020 0.000 1.814 4340 K HN 0.277 nan 8.250 nan 0.000 0.407 4341 P HA 0.070 nan 4.420 nan 0.000 0.276 4341 P C 0.415 177.731 177.300 0.027 0.000 1.244 4341 P CA -0.484 62.622 63.100 0.010 0.000 0.801 4341 P CB 0.840 32.553 31.700 0.022 0.000 1.006 4342 K N 1.218 121.641 120.400 0.038 0.000 2.103 4342 K HA -0.152 4.166 4.320 -0.003 0.000 0.207 4342 K C 0.972 177.609 176.600 0.062 0.000 1.048 4342 K CA 1.847 58.161 56.287 0.045 0.000 0.930 4342 K CB -0.903 31.620 32.500 0.037 0.000 0.716 4342 K HN 0.628 nan 8.250 nan 0.000 0.444 4343 D N 0.006 120.460 120.400 0.089 0.000 2.370 4343 D HA 0.033 4.671 4.640 -0.003 0.000 0.230 4343 D C 0.132 176.562 176.300 0.218 0.000 1.143 4343 D CA -0.260 53.814 54.000 0.123 0.000 0.834 4343 D CB -0.387 40.479 40.800 0.110 0.000 0.944 4343 D HN -0.049 nan 8.370 nan 0.000 0.504 4344 L N -0.302 121.000 121.223 0.131 0.000 2.341 4344 L HA 0.491 4.829 4.340 -0.003 0.000 0.278 4344 L C -0.242 176.656 176.870 0.046 0.000 1.005 4344 L CA -0.594 54.287 54.840 0.068 0.000 0.818 4344 L CB 1.517 43.475 42.059 -0.169 0.000 1.259 4344 L HN -0.053 nan 8.230 nan 0.000 0.418 4345 I N 1.665 122.276 120.570 0.069 0.000 4.083 4345 I HA 0.302 4.470 4.170 -0.003 0.000 0.240 4345 I C 0.096 176.237 176.117 0.040 0.000 1.088 4345 I CA -0.356 60.980 61.300 0.059 0.000 1.651 4345 I CB 0.203 38.253 38.000 0.083 0.000 1.573 4345 I HN 0.414 nan 8.210 nan 0.000 0.451 4346 K N 1.442 121.877 120.400 0.058 0.000 2.426 4346 K HA 0.729 5.047 4.320 -0.003 0.000 0.251 4346 K C -1.277 175.367 176.600 0.073 0.000 0.941 4346 K CA -0.527 55.787 56.287 0.044 0.000 0.808 4346 K CB 2.517 35.042 32.500 0.041 0.000 1.265 4346 K HN 0.191 nan 8.250 nan 0.000 0.432 4347 A N 1.490 124.349 122.820 0.066 0.000 2.350 4347 A HA 0.720 5.038 4.320 -0.003 0.000 0.324 4347 A C -0.938 176.708 177.584 0.103 0.000 1.118 4347 A CA -0.664 51.456 52.037 0.138 0.000 0.783 4347 A CB 1.162 20.263 19.000 0.169 0.000 1.236 4347 A HN 0.304 nan 8.150 nan 0.000 0.457 4348 V N 2.421 122.404 119.914 0.116 0.000 2.588 4348 V HA 0.411 4.529 4.120 -0.003 0.000 0.304 4348 V C -0.583 175.541 176.094 0.049 0.000 1.042 4348 V CA -0.531 61.797 62.300 0.047 0.000 0.877 4348 V CB 1.832 33.655 31.823 -0.000 0.000 0.996 4348 V HN 0.655 nan 8.190 nan 0.000 0.425 4349 V N 6.325 126.233 119.914 -0.009 0.000 2.328 4349 V HA 0.451 4.569 4.120 -0.003 0.000 0.278 4349 V C 0.009 176.030 176.094 -0.121 0.000 1.021 4349 V CA -0.310 61.962 62.300 -0.046 0.000 0.838 4349 V CB 1.336 33.107 31.823 -0.087 0.000 0.999 4349 V HN 0.655 nan 8.190 nan 0.000 0.447 4350 I N 5.973 126.415 120.570 -0.213 0.000 2.325 4350 I HA 0.226 4.394 4.170 -0.003 0.000 0.291 4350 I C 0.182 176.216 176.117 -0.138 0.000 1.019 4350 I CA -0.428 60.742 61.300 -0.216 0.000 1.302 4350 I CB 1.022 38.806 38.000 -0.361 0.000 1.401 4350 I HN 0.325 nan 8.210 nan 0.000 0.485 4351 L N 0.000 121.146 121.223 -0.128 0.000 2.949 4351 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 4351 L CA 0.000 54.769 54.840 -0.118 0.000 0.813 4351 L CB 0.000 41.914 42.059 -0.241 0.000 0.961 4351 L HN 0.000 nan 8.230 nan 0.000 0.502