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 1pjl_1_E DATA FIRST_RESID 4023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 4023 E HA 0.000 nan 4.350 nan 0.000 0.291 4023 E C 0.000 176.581 176.600 -0.031 0.000 1.382 4023 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 4023 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 4024 K N 0.463 120.837 120.400 -0.043 0.000 2.428 4024 K HA 0.903 5.224 4.320 0.001 0.000 0.279 4024 K C 0.493 177.046 176.600 -0.077 0.000 1.041 4024 K CA -0.456 55.793 56.287 -0.064 0.000 0.887 4024 K CB 0.666 33.127 32.500 -0.065 0.000 1.535 4024 K HN 0.972 nan 8.250 nan 0.000 0.417 4025 G N 0.905 109.640 108.800 -0.107 0.000 2.539 4025 G HA2 -0.368 3.593 3.960 0.001 0.000 0.256 4025 G HA3 -0.368 3.593 3.960 0.001 0.000 0.256 4025 G C 0.528 175.359 174.900 -0.114 0.000 1.233 4025 G CA 0.623 45.658 45.100 -0.108 0.000 0.936 4025 G HN 0.860 nan 8.290 nan 0.000 0.571 4026 K N 1.261 121.611 120.400 -0.083 0.000 2.103 4026 K HA -0.008 4.313 4.320 0.001 0.000 0.207 4026 K C -0.176 176.395 176.600 -0.047 0.000 1.048 4026 K CA 2.181 58.428 56.287 -0.066 0.000 0.930 4026 K CB -0.854 31.618 32.500 -0.045 0.000 0.716 4026 K HN 0.334 nan 8.250 nan 0.000 0.444 4027 P HA -0.159 nan 4.420 nan 0.000 0.224 4027 P C -0.081 177.209 177.300 -0.016 0.000 1.142 4027 P CA 0.617 63.700 63.100 -0.027 0.000 0.778 4027 P CB 0.137 31.820 31.700 -0.030 0.000 0.764 4031 N N 3.858 122.565 118.700 0.011 0.000 2.408 4031 N HA 0.160 4.901 4.740 0.001 0.000 0.257 4031 N C -1.821 173.702 175.510 0.021 0.000 1.064 4031 N CA -1.455 51.595 53.050 0.000 0.000 0.952 4031 N CB 1.975 40.459 38.487 -0.005 0.000 1.093 4031 N HN -0.019 nan 8.380 nan 0.000 0.490 4032 P HA -0.157 nan 4.420 nan 0.000 0.218 4032 P C 0.861 178.191 177.300 0.050 0.000 1.146 4032 P CA 1.172 64.279 63.100 0.012 0.000 0.813 4032 P CB 0.394 32.073 31.700 -0.035 0.000 0.778 4033 R N -0.280 120.248 120.500 0.046 0.000 2.092 4033 R HA -0.037 4.304 4.340 0.001 0.000 0.231 4033 R C 2.370 178.737 176.300 0.112 0.000 1.119 4033 R CA 2.103 58.257 56.100 0.089 0.000 0.970 4033 R CB -1.207 29.126 30.300 0.056 0.000 0.864 4033 R HN 0.378 nan 8.270 nan 0.000 0.440 4034 T N -1.750 112.859 114.554 0.090 0.000 3.033 4034 T HA -0.028 4.323 4.350 0.001 0.000 0.248 4034 T C 0.973 175.746 174.700 0.123 0.000 1.040 4034 T CA -0.257 61.910 62.100 0.112 0.000 1.133 4034 T CB -0.397 68.543 68.868 0.119 0.000 0.895 4034 T HN -0.002 nan 8.240 nan 0.000 0.465 4035 N N 2.129 120.905 118.700 0.127 0.000 2.359 4035 N HA 0.016 4.757 4.740 0.001 0.000 0.261 4035 N C 0.582 176.006 175.510 -0.144 0.000 1.267 4035 N CA 0.384 53.509 53.050 0.124 0.000 0.864 4035 N CB 0.498 39.052 38.487 0.111 0.000 1.063 4035 N HN 0.332 nan 8.380 nan 0.000 0.474 4036 K N 2.264 122.282 120.400 -0.638 0.000 2.380 4036 K HA 0.194 4.515 4.320 0.001 0.000 0.198 4036 K C 0.771 177.038 176.600 -0.555 0.000 1.070 4036 K CA 0.303 56.024 56.287 -0.944 0.000 1.040 4036 K CB 0.205 31.611 32.500 -1.823 0.000 0.903 4036 K HN 0.817 nan 8.250 nan 0.000 0.549 4040 F N 3.023 122.890 119.950 -0.138 0.000 2.494 4040 F HA 0.317 4.845 4.527 0.001 0.000 0.369 4040 F C 1.670 177.424 175.800 -0.077 0.000 1.098 4040 F CA 1.187 59.113 58.000 -0.124 0.000 1.154 4040 F CB 0.820 39.763 39.000 -0.095 0.000 1.103 4040 F HN 0.260 nan 8.300 nan 0.000 0.549 4041 T N 3.084 117.697 114.554 0.097 0.000 2.908 4041 T HA -0.090 4.261 4.350 0.001 0.000 0.325 4041 T C 1.258 175.998 174.700 0.066 0.000 1.092 4041 T CA -0.694 61.441 62.100 0.058 0.000 1.125 4041 T CB 0.652 69.542 68.868 0.037 0.000 1.016 4041 T HN 0.615 nan 8.240 nan 0.000 0.550 4042 L N 2.358 123.604 121.223 0.039 0.000 2.013 4042 L HA -0.100 4.241 4.340 0.001 0.000 0.212 4042 L C 2.870 179.747 176.870 0.012 0.000 1.073 4042 L CA 2.559 57.413 54.840 0.024 0.000 0.753 4042 L CB -1.259 40.808 42.059 0.014 0.000 0.890 4042 L HN 0.997 nan 8.230 nan 0.000 0.432 4043 Q N -0.561 119.247 119.800 0.013 0.000 2.152 4043 Q HA -0.253 4.088 4.340 0.001 0.000 0.206 4043 Q C 2.019 178.018 176.000 -0.001 0.000 0.985 4043 Q CA 2.355 58.160 55.803 0.003 0.000 0.863 4043 Q CB -0.094 28.649 28.738 0.007 0.000 0.904 4043 Q HN 0.711 nan 8.270 nan 0.000 0.422 4044 E N -0.373 119.838 120.200 0.019 0.000 2.046 4044 E HA -0.161 4.190 4.350 0.001 0.000 0.190 4044 E C 2.147 178.709 176.600 -0.063 0.000 0.982 4044 E CA 0.885 57.291 56.400 0.010 0.000 0.800 4044 E CB -0.119 29.647 29.700 0.109 0.000 0.756 4044 E HN 0.338 nan 8.360 nan 0.000 0.449 4045 R N 1.316 121.781 120.500 -0.059 0.000 2.112 4045 R HA -0.153 4.188 4.340 0.001 0.000 0.242 4045 R C 1.535 177.773 176.300 -0.104 0.000 1.137 4045 R CA 1.167 57.192 56.100 -0.124 0.000 0.944 4045 R CB -0.473 29.791 30.300 -0.060 0.000 0.857 4045 R HN 0.223 nan 8.270 nan 0.000 0.435 4049 G N 1.809 110.535 108.800 -0.124 0.000 2.291 4049 G HA2 -0.253 3.708 3.960 0.001 0.000 0.271 4049 G HA3 -0.253 3.708 3.960 0.001 0.000 0.271 4049 G C 0.487 175.305 174.900 -0.137 0.000 1.099 4049 G CA 0.602 45.636 45.100 -0.111 0.000 0.919 4049 G HN 0.331 nan 8.290 nan 0.000 0.496 4050 L N -1.077 120.047 121.223 -0.164 0.000 2.966 4050 L HA 0.287 4.628 4.340 0.001 0.000 0.262 4050 L C 1.227 178.028 176.870 -0.115 0.000 1.165 4050 L CA -0.434 54.297 54.840 -0.182 0.000 0.978 4050 L CB 0.181 42.040 42.059 -0.333 0.000 1.337 4050 L HN 0.192 nan 8.230 nan 0.000 0.563 4051 Q N 1.532 121.279 119.800 -0.087 0.000 2.255 4051 Q HA 0.179 4.520 4.340 0.001 0.000 0.280 4051 Q C 1.140 177.114 176.000 -0.043 0.000 1.068 4051 Q CA 1.308 57.079 55.803 -0.054 0.000 0.911 4051 Q CB 1.060 29.772 28.738 -0.044 0.000 1.157 4051 Q HN 0.471 nan 8.270 nan 0.000 0.380 4052 G N 2.511 111.293 108.800 -0.030 0.000 2.279 4052 G HA2 -0.254 3.707 3.960 0.001 0.000 0.223 4052 G HA3 -0.254 3.707 3.960 0.001 0.000 0.223 4052 G C 0.663 175.550 174.900 -0.022 0.000 1.015 4052 G CA 0.071 45.158 45.100 -0.023 0.000 0.621 4052 G HN 0.553 nan 8.290 nan 0.000 0.506 4053 L N 0.769 121.973 121.223 -0.032 0.000 2.599 4053 L HA 0.441 4.782 4.340 0.001 0.000 0.230 4053 L C 0.697 177.561 176.870 -0.010 0.000 1.141 4053 L CA 0.586 55.409 54.840 -0.029 0.000 0.877 4053 L CB -0.176 41.852 42.059 -0.051 0.000 1.009 4053 L HN 0.215 nan 8.230 nan 0.000 0.447 4054 L N -0.092 121.130 121.223 -0.002 0.000 2.434 4054 L HA 0.465 4.806 4.340 0.001 0.000 0.260 4054 L C -2.332 174.550 176.870 0.020 0.000 0.983 4054 L CA -1.941 52.913 54.840 0.023 0.000 0.820 4054 L CB 2.079 44.169 42.059 0.051 0.000 1.361 4054 L HN -0.204 nan 8.230 nan 0.000 0.410 4055 P HA 0.077 nan 4.420 nan 0.000 0.264 4055 P C -2.464 174.848 177.300 0.020 0.000 1.183 4055 P CA -0.860 62.252 63.100 0.020 0.000 0.763 4055 P CB -0.383 31.331 31.700 0.024 0.000 0.807 4056 P HA 0.106 nan 4.420 nan 0.000 0.258 4056 P C -0.074 177.235 177.300 0.015 0.000 1.563 4056 P CA 0.712 63.819 63.100 0.012 0.000 1.241 4056 P CB 0.092 31.797 31.700 0.007 0.000 1.811 4057 K N 3.404 123.817 120.400 0.021 0.000 2.688 4057 K HA 0.215 4.535 4.320 0.001 0.000 0.270 4057 K C -1.451 175.166 176.600 0.028 0.000 1.013 4057 K CA -0.502 55.798 56.287 0.022 0.000 0.924 4057 K CB 1.687 34.199 32.500 0.021 0.000 1.378 4057 K HN 0.141 nan 8.250 nan 0.000 0.402 4058 I N 2.232 122.818 120.570 0.026 0.000 2.330 4058 I HA 0.399 4.570 4.170 0.001 0.000 0.289 4058 I C 0.051 176.182 176.117 0.024 0.000 1.001 4058 I CA -0.640 60.677 61.300 0.028 0.000 1.193 4058 I CB 1.281 39.297 38.000 0.026 0.000 1.345 4058 I HN 0.540 nan 8.210 nan 0.000 0.461 4059 E N 3.726 123.941 120.200 0.026 0.000 2.214 4059 E HA 0.421 4.772 4.350 0.001 0.000 0.274 4059 E C -0.063 176.559 176.600 0.037 0.000 0.977 4059 E CA -0.471 55.946 56.400 0.029 0.000 0.827 4059 E CB 1.722 31.443 29.700 0.035 0.000 1.130 4059 E HN 0.721 nan 8.360 nan 0.000 0.394 4060 T N -0.477 114.099 114.554 0.037 0.000 2.902 4060 T HA 0.069 4.420 4.350 0.001 0.000 0.280 4060 T C 1.032 175.768 174.700 0.060 0.000 0.992 4060 T CA -0.645 61.484 62.100 0.049 0.000 1.015 4060 T CB 1.471 70.352 68.868 0.023 0.000 1.044 4060 T HN 0.553 nan 8.240 nan 0.000 0.520 4061 Q N 0.076 119.922 119.800 0.076 0.000 2.234 4061 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 4061 Q C 1.044 177.021 176.000 -0.039 0.000 0.980 4061 Q CA 2.066 57.876 55.803 0.011 0.000 0.869 4061 Q CB -0.269 28.359 28.738 -0.184 0.000 0.912 4061 Q HN 0.823 nan 8.270 nan 0.000 0.436 4062 D N -0.063 120.314 120.400 -0.039 0.000 2.144 4062 D HA -0.116 4.525 4.640 0.001 0.000 0.200 4062 D C 1.564 177.839 176.300 -0.041 0.000 0.978 4062 D CA 0.993 54.959 54.000 -0.057 0.000 0.833 4062 D CB 0.034 40.803 40.800 -0.051 0.000 0.961 4062 D HN 0.297 nan 8.370 nan 0.000 0.470 4063 I N 0.918 121.482 120.570 -0.009 0.000 2.233 4063 I HA -0.265 3.906 4.170 0.001 0.000 0.243 4063 I C 2.362 178.495 176.117 0.027 0.000 1.093 4063 I CA 1.032 62.335 61.300 0.005 0.000 1.380 4063 I CB -0.273 37.738 38.000 0.018 0.000 1.067 4063 I HN 0.063 nan 8.210 nan 0.000 0.413 4064 Q N 1.082 120.908 119.800 0.043 0.000 2.124 4064 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 4064 Q C 2.204 178.264 176.000 0.101 0.000 0.977 4064 Q CA 1.627 57.477 55.803 0.078 0.000 0.850 4064 Q CB -0.532 28.254 28.738 0.081 0.000 0.901 4064 Q HN 0.497 nan 8.270 nan 0.000 0.429 4065 A N 1.160 124.001 122.820 0.036 0.000 2.014 4065 A HA -0.039 4.282 4.320 0.001 0.000 0.218 4065 A C 2.040 179.620 177.584 -0.008 0.000 1.163 4065 A CA 0.906 52.951 52.037 0.014 0.000 0.652 4065 A CB -0.320 18.624 19.000 -0.092 0.000 0.808 4065 A HN 0.382 nan 8.150 nan 0.000 0.449 4066 L N -0.334 120.863 121.223 -0.043 0.000 2.102 4066 L HA 0.080 4.421 4.340 0.001 0.000 0.202 4066 L C 2.332 179.253 176.870 0.084 0.000 1.076 4066 L CA 2.056 56.854 54.840 -0.070 0.000 0.761 4066 L CB -0.567 41.459 42.059 -0.055 0.000 0.921 4066 L HN 0.394 nan 8.230 nan 0.000 0.444 4067 R N -0.924 119.640 120.500 0.107 0.000 2.103 4067 R HA -0.283 4.057 4.340 0.001 0.000 0.242 4067 R C 2.333 178.758 176.300 0.208 0.000 1.142 4067 R CA 2.275 58.451 56.100 0.127 0.000 0.960 4067 R CB -0.794 29.578 30.300 0.121 0.000 0.858 4067 R HN 0.488 nan 8.270 nan 0.000 0.439 4068 F N 1.041 121.091 119.950 0.168 0.000 2.171 4068 F HA -0.224 4.303 4.527 0.001 0.000 0.300 4068 F C 1.918 177.915 175.800 0.328 0.000 1.090 4068 F CA 1.974 60.131 58.000 0.262 0.000 1.293 4068 F CB -0.146 38.967 39.000 0.188 0.000 1.013 4068 F HN 0.167 nan 8.300 nan 0.000 0.486 4069 H N -0.245 118.983 119.070 0.262 0.000 2.326 4069 H HA -0.019 4.538 4.556 0.001 0.000 0.301 4069 H C 2.349 177.677 175.328 0.000 0.000 1.081 4069 H CA 1.671 57.806 56.048 0.145 0.000 1.334 4069 H CB -0.617 29.232 29.762 0.145 0.000 1.385 4069 H HN 0.095 nan 8.280 nan 0.000 0.504 4070 R N 0.454 121.040 120.500 0.143 0.000 2.103 4070 R HA -0.115 4.226 4.340 0.001 0.000 0.242 4070 R C 2.110 178.383 176.300 -0.045 0.000 1.142 4070 R CA 1.674 57.798 56.100 0.040 0.000 0.960 4070 R CB -0.183 30.138 30.300 0.035 0.000 0.858 4070 R HN 0.472 nan 8.270 nan 0.000 0.439 4071 N N -0.328 118.314 118.700 -0.097 0.000 2.216 4071 N HA -0.144 4.597 4.740 0.001 0.000 0.183 4071 N C 1.549 176.863 175.510 -0.326 0.000 1.017 4071 N CA 0.792 53.707 53.050 -0.225 0.000 0.861 4071 N CB -0.039 38.277 38.487 -0.284 0.000 0.986 4071 N HN 0.073 nan 8.380 nan 0.000 0.428 4072 L N 2.010 123.032 121.223 -0.337 0.000 2.201 4072 L HA -0.083 4.258 4.340 0.001 0.000 0.212 4072 L C 2.153 178.931 176.870 -0.153 0.000 1.105 4072 L CA 1.427 56.094 54.840 -0.288 0.000 0.775 4072 L CB -0.300 41.575 42.059 -0.306 0.000 0.913 4072 L HN -0.088 nan 8.230 nan 0.000 0.440 4073 K N 0.466 120.800 120.400 -0.109 0.000 2.063 4073 K HA -0.141 4.180 4.320 0.001 0.000 0.208 4073 K C 0.740 177.298 176.600 -0.070 0.000 1.048 4073 K CA 1.364 57.616 56.287 -0.058 0.000 0.928 4073 K CB -0.121 32.364 32.500 -0.025 0.000 0.713 4073 K HN 0.351 nan 8.250 nan 0.000 0.442 4077 S N 3.580 119.273 115.700 -0.012 0.000 2.562 4077 S HA 0.348 4.819 4.470 0.001 0.000 0.281 4077 S C -1.525 173.084 174.600 0.014 0.000 1.333 4077 S CA -1.140 57.059 58.200 -0.003 0.000 1.052 4077 S CB 1.058 64.256 63.200 -0.003 0.000 0.884 4077 S HN 0.275 nan 8.310 nan 0.000 0.506 4078 P HA 0.012 nan 4.420 nan 0.000 0.227 4078 P C 1.391 178.734 177.300 0.072 0.000 1.161 4078 P CA 0.336 63.461 63.100 0.041 0.000 0.788 4078 P CB 0.064 31.777 31.700 0.021 0.000 0.822 4079 L N 0.177 121.420 121.223 0.033 0.000 2.313 4079 L HA 0.057 4.398 4.340 0.001 0.000 0.214 4079 L C 2.331 179.267 176.870 0.109 0.000 1.119 4079 L CA 1.494 56.346 54.840 0.021 0.000 0.809 4079 L CB -0.831 41.196 42.059 -0.053 0.000 0.933 4079 L HN -0.150 nan 8.230 nan 0.000 0.449 4080 E N -0.496 119.753 120.200 0.082 0.000 2.107 4080 E HA -0.176 4.175 4.350 0.001 0.000 0.191 4080 E C 1.741 178.421 176.600 0.135 0.000 0.982 4080 E CA 0.724 57.173 56.400 0.081 0.000 0.809 4080 E CB 0.147 29.860 29.700 0.021 0.000 0.756 4080 E HN 0.479 nan 8.360 nan 0.000 0.459 4081 K N 0.042 120.527 120.400 0.141 0.000 2.097 4081 K HA -0.180 4.141 4.320 0.001 0.000 0.205 4081 K C 2.094 178.852 176.600 0.264 0.000 1.050 4081 K CA 0.994 57.395 56.287 0.190 0.000 0.938 4081 K CB -0.615 31.970 32.500 0.141 0.000 0.718 4081 K HN 0.261 nan 8.250 nan 0.000 0.442 4082 Y N 2.573 122.937 120.300 0.106 0.000 2.006 4082 Y HA -0.286 4.265 4.550 0.001 0.000 0.266 4082 Y C 2.237 178.205 175.900 0.114 0.000 1.133 4082 Y CA 1.812 59.973 58.100 0.102 0.000 1.098 4082 Y CB -0.539 37.965 38.460 0.074 0.000 0.969 4082 Y HN -0.137 nan 8.280 nan 0.000 0.482 4083 I N -0.563 120.261 120.570 0.424 0.000 2.181 4083 I HA -0.413 3.758 4.170 0.001 0.000 0.247 4083 I C 2.266 178.471 176.117 0.146 0.000 1.081 4083 I CA 1.904 63.339 61.300 0.225 0.000 1.340 4083 I CB -0.880 37.236 38.000 0.194 0.000 1.036 4083 I HN 0.411 nan 8.210 nan 0.000 0.417 4084 Y N 1.676 122.007 120.300 0.053 0.000 2.036 4084 Y HA -0.181 4.369 4.550 0.001 0.000 0.273 4084 Y C 1.655 177.634 175.900 0.131 0.000 1.135 4084 Y CA 0.666 58.800 58.100 0.056 0.000 1.106 4084 Y CB -0.675 37.791 38.460 0.011 0.000 0.976 4084 Y HN 0.042 nan 8.280 nan 0.000 0.483 4088 I N 2.109 122.669 120.570 -0.018 0.000 2.916 4088 I HA -0.029 4.142 4.170 0.001 0.000 0.267 4088 I C 2.275 178.417 176.117 0.041 0.000 1.263 4088 I CA 1.208 62.528 61.300 0.033 0.000 1.471 4088 I CB -0.857 37.148 38.000 0.008 0.000 1.089 4088 I HN 0.427 nan 8.210 nan 0.000 0.468 4089 Q N 1.516 121.224 119.800 -0.153 0.000 1.922 4089 Q HA -0.132 4.209 4.340 0.001 0.000 0.201 4089 Q C 1.261 177.059 176.000 -0.337 0.000 0.979 4089 Q CA 1.147 56.535 55.803 -0.691 0.000 0.841 4089 Q CB 0.053 28.177 28.738 -1.023 0.000 0.903 4089 Q HN 0.305 nan 8.270 nan 0.000 0.431 4090 E N 0.474 120.519 120.200 -0.259 0.000 2.445 4090 E HA -0.148 4.203 4.350 0.001 0.000 0.204 4090 E C 0.961 177.503 176.600 -0.098 0.000 1.194 4090 E CA 0.527 56.828 56.400 -0.165 0.000 0.950 4090 E CB 0.050 29.655 29.700 -0.158 0.000 0.976 4090 E HN 0.340 nan 8.360 nan 0.000 0.519 4091 R N 0.195 120.651 120.500 -0.073 0.000 2.562 4091 R HA 0.054 4.394 4.340 0.001 0.000 0.191 4091 R C 0.004 176.310 176.300 0.010 0.000 0.835 4091 R CA 0.129 56.216 56.100 -0.021 0.000 1.036 4091 R CB 0.718 31.017 30.300 -0.002 0.000 1.437 4091 R HN -0.043 nan 8.270 nan 0.000 0.654 4092 N N 1.360 120.073 118.700 0.021 0.000 2.827 4092 N HA -0.011 4.730 4.740 0.001 0.000 0.240 4092 N C -0.356 175.219 175.510 0.109 0.000 1.352 4092 N CA -0.022 53.070 53.050 0.071 0.000 0.760 4092 N CB 1.401 39.940 38.487 0.086 0.000 1.426 4092 N HN 0.256 nan 8.380 nan 0.000 0.561 4093 E N 2.548 122.810 120.200 0.104 0.000 2.048 4093 E HA -0.251 4.100 4.350 0.001 0.000 0.202 4093 E C 0.888 177.720 176.600 0.386 0.000 1.021 4093 E CA 1.479 57.978 56.400 0.165 0.000 0.825 4093 E CB 0.272 30.082 29.700 0.182 0.000 0.756 4093 E HN 0.502 nan 8.360 nan 0.000 0.454 4094 K N 0.236 120.876 120.400 0.400 0.000 1.987 4094 K HA -0.231 4.090 4.320 0.001 0.000 0.216 4094 K C 2.400 179.112 176.600 0.187 0.000 1.051 4094 K CA 1.495 57.994 56.287 0.353 0.000 0.942 4094 K CB -0.792 31.830 32.500 0.204 0.000 0.722 4094 K HN 0.174 nan 8.250 nan 0.000 0.444 4095 L N 1.189 122.464 121.223 0.088 0.000 1.976 4095 L HA -0.274 4.067 4.340 0.001 0.000 0.223 4095 L C 2.252 179.104 176.870 -0.030 0.000 1.081 4095 L CA 1.933 56.760 54.840 -0.022 0.000 0.784 4095 L CB -0.974 41.110 42.059 0.042 0.000 0.896 4095 L HN 0.237 nan 8.230 nan 0.000 0.438 4096 F N -0.514 119.351 119.950 -0.141 0.000 2.050 4096 F HA -0.442 4.086 4.527 0.002 0.000 0.294 4096 F C 2.218 177.863 175.800 -0.257 0.000 1.113 4096 F CA 2.591 60.422 58.000 -0.280 0.000 1.225 4096 F CB -1.034 37.758 39.000 -0.345 0.000 0.953 4096 F HN 0.258 nan 8.300 nan 0.000 0.501 4097 Y N -0.082 120.306 120.300 0.147 0.000 2.181 4097 Y HA -0.287 4.264 4.550 0.001 0.000 0.288 4097 Y C 2.741 178.576 175.900 -0.109 0.000 1.146 4097 Y CA 1.769 59.900 58.100 0.052 0.000 1.164 4097 Y CB -0.629 38.069 38.460 0.397 0.000 0.982 4097 Y HN 0.156 nan 8.280 nan 0.000 0.515 4098 R N 0.899 121.423 120.500 0.039 0.000 2.115 4098 R HA -0.235 4.106 4.340 0.001 0.000 0.239 4098 R C 1.979 178.198 176.300 -0.135 0.000 1.133 4098 R CA 2.418 58.469 56.100 -0.082 0.000 0.935 4098 R CB -1.006 29.195 30.300 -0.165 0.000 0.853 4098 R HN 0.344 nan 8.270 nan 0.000 0.433 4099 I N 0.404 120.831 120.570 -0.238 0.000 2.091 4099 I HA -0.355 3.816 4.170 0.001 0.000 0.240 4099 I C 2.306 178.253 176.117 -0.284 0.000 1.046 4099 I CA 1.484 62.602 61.300 -0.304 0.000 1.306 4099 I CB -0.478 37.118 38.000 -0.673 0.000 1.018 4099 I HN 0.293 nan 8.210 nan 0.000 0.404 4100 L N 0.465 121.447 121.223 -0.402 0.000 1.941 4100 L HA -0.332 4.009 4.340 0.001 0.000 0.224 4100 L C 2.564 179.361 176.870 -0.122 0.000 1.081 4100 L CA 2.037 56.697 54.840 -0.300 0.000 0.784 4100 L CB -0.987 40.877 42.059 -0.324 0.000 0.894 4100 L HN 0.286 nan 8.230 nan 0.000 0.436 4101 Q N -1.090 118.680 119.800 -0.049 0.000 2.217 4101 Q HA -0.300 4.040 4.340 0.001 0.000 0.209 4101 Q C 1.890 177.871 176.000 -0.032 0.000 0.988 4101 Q CA 1.797 57.589 55.803 -0.018 0.000 0.878 4101 Q CB -0.350 28.390 28.738 0.005 0.000 0.909 4101 Q HN 0.567 nan 8.270 nan 0.000 0.424 4102 D N 0.356 120.730 120.400 -0.043 0.000 2.158 4102 D HA -0.147 4.494 4.640 0.001 0.000 0.197 4102 D C 0.393 176.707 176.300 0.023 0.000 0.995 4102 D CA 1.280 55.277 54.000 -0.005 0.000 0.846 4102 D CB 0.025 40.842 40.800 0.028 0.000 0.941 4102 D HN 0.146 nan 8.370 nan 0.000 0.456 4103 D N -1.560 118.837 120.400 -0.005 0.000 3.078 4103 D HA 0.064 4.705 4.640 0.001 0.000 0.363 4103 D C 1.069 177.352 176.300 -0.030 0.000 1.391 4103 D CA -0.296 53.701 54.000 -0.004 0.000 0.754 4103 D CB -0.380 40.420 40.800 0.000 0.000 1.238 4103 D HN -0.024 nan 8.370 nan 0.000 0.500 4104 I N 0.798 121.348 120.570 -0.032 0.000 2.093 4104 I HA -0.301 3.870 4.170 0.001 0.000 0.239 4104 I C 2.029 178.128 176.117 -0.029 0.000 1.026 4104 I CA 1.981 63.260 61.300 -0.035 0.000 1.295 4104 I CB 0.045 38.026 38.000 -0.032 0.000 1.007 4104 I HN 0.318 nan 8.210 nan 0.000 0.401 4105 E N -0.316 119.868 120.200 -0.026 0.000 2.130 4105 E HA -0.254 4.097 4.350 0.001 0.000 0.196 4105 E C 2.031 178.624 176.600 -0.011 0.000 0.998 4105 E CA 1.871 58.258 56.400 -0.023 0.000 0.806 4105 E CB -0.082 29.610 29.700 -0.014 0.000 0.738 4105 E HN 0.681 nan 8.360 nan 0.000 0.459 4106 S N 0.038 115.733 115.700 -0.008 0.000 2.425 4106 S HA 0.041 4.512 4.470 0.001 0.000 0.225 4106 S C 0.883 175.482 174.600 -0.002 0.000 1.024 4106 S CA -0.008 58.190 58.200 -0.004 0.000 0.951 4106 S CB 0.259 63.456 63.200 -0.004 0.000 0.796 4106 S HN 0.107 nan 8.310 nan 0.000 0.498 4110 I N 0.394 121.032 120.570 0.114 0.000 2.429 4110 I HA -0.019 4.152 4.170 0.001 0.000 0.247 4110 I C 2.274 178.562 176.117 0.284 0.000 1.099 4110 I CA 0.711 62.115 61.300 0.174 0.000 1.422 4110 I CB -0.656 37.425 38.000 0.136 0.000 1.112 4110 I HN -0.232 nan 8.210 nan 0.000 0.430 4111 V N 0.157 120.191 119.914 0.199 0.000 2.307 4111 V HA -0.224 3.897 4.120 0.001 0.000 0.245 4111 V C 1.538 177.855 176.094 0.371 0.000 1.045 4111 V CA 1.607 64.034 62.300 0.212 0.000 1.024 4111 V CB -0.508 31.392 31.823 0.129 0.000 0.651 4111 V HN 0.281 nan 8.190 nan 0.000 0.449 4112 Y N 0.688 121.081 120.300 0.155 0.000 3.135 4112 Y HA 0.419 4.970 4.550 0.001 0.000 0.343 4112 Y C 1.270 177.240 175.900 0.116 0.000 1.322 4112 Y CA -0.878 57.309 58.100 0.145 0.000 0.993 4112 Y CB 0.108 38.644 38.460 0.126 0.000 1.306 4112 Y HN 0.190 nan 8.280 nan 0.000 0.798 4113 T N 1.158 115.405 114.554 -0.511 0.000 2.855 4113 T HA 0.150 4.501 4.350 0.001 0.000 0.314 4113 T C -2.040 172.604 174.700 -0.094 0.000 1.077 4113 T CA -0.911 60.983 62.100 -0.345 0.000 1.095 4113 T CB 0.934 69.575 68.868 -0.378 0.000 0.987 4113 T HN 0.458 nan 8.240 nan 0.000 0.546 4114 P HA 0.068 nan 4.420 nan 0.000 0.228 4114 P C 1.511 178.748 177.300 -0.106 0.000 1.166 4114 P CA 0.524 63.558 63.100 -0.110 0.000 0.812 4114 P CB -0.286 31.367 31.700 -0.078 0.000 0.857 4115 T N 0.971 115.490 114.554 -0.060 0.000 2.680 4115 T HA -0.202 4.149 4.350 0.001 0.000 0.268 4115 T C 1.829 176.441 174.700 -0.147 0.000 1.033 4115 T CA 1.703 63.761 62.100 -0.070 0.000 1.152 4115 T CB -1.423 67.454 68.868 0.015 0.000 0.859 4115 T HN -0.052 nan 8.240 nan 0.000 0.452 4116 V N 1.819 121.671 119.914 -0.104 0.000 2.277 4116 V HA -0.239 3.882 4.120 0.001 0.000 0.253 4116 V C 2.564 178.570 176.094 -0.146 0.000 1.067 4116 V CA 2.680 64.916 62.300 -0.107 0.000 1.047 4116 V CB -1.307 30.449 31.823 -0.112 0.000 0.649 4116 V HN 0.607 nan 8.190 nan 0.000 0.447 4117 G N -0.749 107.963 108.800 -0.147 0.000 2.469 4117 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 4117 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 4117 G C 1.631 176.473 174.900 -0.095 0.000 1.150 4117 G CA 1.241 46.275 45.100 -0.110 0.000 0.763 4117 G HN 0.543 nan 8.290 nan 0.000 0.561 4118 L N 0.378 121.527 121.223 -0.123 0.000 2.042 4118 L HA -0.111 4.230 4.340 0.001 0.000 0.210 4118 L C 3.361 180.143 176.870 -0.147 0.000 1.076 4118 L CA 1.329 56.096 54.840 -0.121 0.000 0.749 4118 L CB -0.278 41.701 42.059 -0.133 0.000 0.893 4118 L HN 0.351 nan 8.230 nan 0.000 0.432 4119 A N -1.407 121.255 122.820 -0.263 0.000 1.898 4119 A HA -0.219 4.102 4.320 0.001 0.000 0.216 4119 A C 2.345 179.971 177.584 0.071 0.000 1.181 4119 A CA 1.588 53.463 52.037 -0.271 0.000 0.620 4119 A CB -1.142 17.394 19.000 -0.773 0.000 0.819 4119 A HN 0.562 nan 8.150 nan 0.000 0.442 4120 C N -1.252 118.066 119.300 0.032 0.000 2.429 4120 C HA -0.060 4.401 4.460 0.001 0.000 0.277 4120 C C 3.256 178.326 174.990 0.134 0.000 1.262 4120 C CA 1.483 60.515 59.018 0.023 0.000 1.733 4120 C CB -1.121 26.581 27.740 -0.064 0.000 2.010 4120 C HN 0.605 nan 8.230 nan 0.000 0.483 4121 S N -0.561 115.197 115.700 0.097 0.000 2.423 4121 S HA -0.129 4.341 4.470 0.001 0.000 0.231 4121 S C 2.013 176.728 174.600 0.192 0.000 1.014 4121 S CA 1.201 59.492 58.200 0.152 0.000 0.965 4121 S CB -0.192 63.037 63.200 0.049 0.000 0.785 4121 S HN 0.618 nan 8.310 nan 0.000 0.495 4122 Q N -0.874 118.981 119.800 0.092 0.000 2.339 4122 Q HA 0.146 4.487 4.340 0.001 0.000 0.205 4122 Q C -0.082 175.944 176.000 0.044 0.000 0.925 4122 Q CA -0.074 55.757 55.803 0.047 0.000 0.898 4122 Q CB -0.194 28.534 28.738 -0.016 0.000 1.013 4122 Q HN 0.542 nan 8.270 nan 0.000 0.504 4123 Y N 1.279 121.451 120.300 -0.212 0.000 3.214 4123 Y HA -0.151 4.400 4.550 0.001 0.000 0.351 4123 Y C 1.649 177.155 175.900 -0.656 0.000 1.262 4123 Y CA 2.268 60.146 58.100 -0.371 0.000 1.541 4123 Y CB 0.209 38.417 38.460 -0.421 0.000 1.211 4123 Y HN 0.509 nan 8.280 nan 0.000 0.637 4124 G N 1.780 110.420 108.800 -0.266 0.000 2.234 4124 G HA2 -0.394 3.567 3.960 0.001 0.000 0.260 4124 G HA3 -0.394 3.567 3.960 0.001 0.000 0.260 4124 G C 0.776 175.616 174.900 -0.100 0.000 0.987 4124 G CA 0.937 45.938 45.100 -0.164 0.000 0.625 4124 G HN 0.805 nan 8.290 nan 0.000 0.532 4125 H N -0.380 118.608 119.070 -0.136 0.000 2.545 4125 H HA 0.425 4.982 4.556 0.001 0.000 0.283 4125 H C 2.593 177.798 175.328 -0.204 0.000 0.997 4125 H CA 1.162 57.099 56.048 -0.186 0.000 1.269 4125 H CB 0.138 29.888 29.762 -0.020 0.000 1.451 4125 H HN 0.580 nan 8.280 nan 0.000 0.508 4126 I N -2.769 117.787 120.570 -0.022 0.000 3.968 4126 I HA 0.169 4.340 4.170 0.001 0.000 0.328 4126 I C 0.197 176.258 176.117 -0.094 0.000 1.290 4126 I CA -0.340 60.926 61.300 -0.057 0.000 1.163 4126 I CB -0.007 37.969 38.000 -0.039 0.000 1.024 4126 I HN -0.097 nan 8.210 nan 0.000 0.413 4127 F N 2.739 122.523 119.950 -0.277 0.000 2.637 4127 F HA -0.054 4.474 4.527 0.002 0.000 0.372 4127 F C 1.237 176.921 175.800 -0.193 0.000 1.107 4127 F CA 0.841 58.666 58.000 -0.292 0.000 1.325 4127 F CB 0.462 39.302 39.000 -0.267 0.000 1.016 4127 F HN 0.032 nan 8.300 nan 0.000 0.593 4128 R N 2.069 121.979 120.500 -0.982 0.000 2.840 4128 R HA 0.372 4.713 4.340 0.001 0.000 0.173 4128 R C -0.558 175.258 176.300 -0.808 0.000 0.791 4128 R CA -0.163 55.576 56.100 -0.602 0.000 1.069 4128 R CB 0.423 30.509 30.300 -0.357 0.000 1.537 4128 R HN 0.634 nan 8.270 nan 0.000 0.609 4129 R N 0.417 120.241 120.500 -1.128 0.000 2.698 4129 R HA 0.406 4.747 4.340 0.001 0.000 0.275 4129 R C -2.706 173.226 176.300 -0.614 0.000 1.001 4129 R CA -2.062 53.638 56.100 -0.667 0.000 0.896 4129 R CB 2.439 32.553 30.300 -0.310 0.000 1.218 4129 R HN -0.039 nan 8.270 nan 0.000 0.462 4130 P HA 0.131 nan 4.420 nan 0.000 0.272 4130 P C -0.658 176.754 177.300 0.187 0.000 1.230 4130 P CA -0.125 63.125 63.100 0.251 0.000 0.788 4130 P CB 1.132 32.952 31.700 0.201 0.000 0.949 4131 K N -0.340 120.267 120.400 0.345 0.000 2.529 4131 K HA 0.371 4.691 4.320 0.001 0.000 0.215 4131 K C 0.721 177.498 176.600 0.296 0.000 1.286 4131 K CA 0.172 56.612 56.287 0.256 0.000 0.997 4131 K CB 0.928 33.531 32.500 0.172 0.000 1.063 4131 K HN 0.688 nan 8.250 nan 0.000 0.590 4132 G N -0.406 108.620 108.800 0.378 0.000 2.947 4132 G HA2 0.431 4.392 3.960 0.001 0.000 0.293 4132 G HA3 0.431 4.392 3.960 0.001 0.000 0.293 4132 G C -1.906 173.014 174.900 0.034 0.000 1.243 4132 G CA -0.588 44.560 45.100 0.080 0.000 0.802 4132 G HN -0.047 nan 8.290 nan 0.000 0.560 4133 L N -0.065 120.916 121.223 -0.404 0.000 2.334 4133 L HA 0.719 5.060 4.340 0.001 0.000 0.277 4133 L C -1.240 175.474 176.870 -0.260 0.000 1.075 4133 L CA -1.030 53.660 54.840 -0.250 0.000 0.804 4133 L CB 0.892 42.666 42.059 -0.475 0.000 1.174 4133 L HN 0.292 nan 8.230 nan 0.000 0.438 4134 F N 5.533 125.447 119.950 -0.060 0.000 2.443 4134 F HA 0.456 4.984 4.527 0.001 0.000 0.369 4134 F C 0.092 175.865 175.800 -0.044 0.000 1.090 4134 F CA -0.407 57.560 58.000 -0.054 0.000 1.129 4134 F CB 0.598 39.587 39.000 -0.018 0.000 1.367 4134 F HN 0.206 nan 8.300 nan 0.000 0.465 4135 I N 2.404 122.963 120.570 -0.019 0.000 2.353 4135 I HA 0.374 4.545 4.170 0.001 0.000 0.293 4135 I C 0.428 176.532 176.117 -0.022 0.000 0.992 4135 I CA -0.118 61.176 61.300 -0.010 0.000 1.268 4135 I CB 1.451 39.411 38.000 -0.068 0.000 1.387 4135 I HN 0.573 nan 8.210 nan 0.000 0.478 4136 S N 5.309 121.020 115.700 0.019 0.000 2.806 4136 S HA 0.457 4.928 4.470 0.001 0.000 0.315 4136 S C 0.344 174.952 174.600 0.014 0.000 1.127 4136 S CA -0.575 57.634 58.200 0.016 0.000 0.918 4136 S CB 1.447 64.674 63.200 0.046 0.000 1.240 4136 S HN 0.576 nan 8.310 nan 0.000 0.552 4137 I N 0.875 121.460 120.570 0.026 0.000 3.603 4137 I HA 0.320 4.491 4.170 0.001 0.000 0.297 4137 I C 1.732 177.879 176.117 0.050 0.000 1.269 4137 I CA 0.609 61.929 61.300 0.034 0.000 1.361 4137 I CB 0.180 38.212 38.000 0.053 0.000 1.063 4137 I HN 0.633 nan 8.210 nan 0.000 0.448 4138 S N -0.044 115.691 115.700 0.058 0.000 2.631 4138 S HA 0.068 4.539 4.470 0.001 0.000 0.217 4138 S C 0.844 175.497 174.600 0.088 0.000 0.958 4138 S CA 0.246 58.487 58.200 0.069 0.000 0.920 4138 S CB -0.314 62.925 63.200 0.066 0.000 0.776 4138 S HN 0.396 nan 8.310 nan 0.000 0.517 4139 D N 1.859 122.312 120.400 0.088 0.000 2.501 4139 D HA 0.102 4.743 4.640 0.001 0.000 0.226 4139 D C 0.196 176.557 176.300 0.103 0.000 1.198 4139 D CA -0.165 53.912 54.000 0.129 0.000 0.830 4139 D CB 0.376 41.238 40.800 0.104 0.000 1.014 4139 D HN 0.546 nan 8.370 nan 0.000 0.496 4140 R N -0.487 120.043 120.500 0.050 0.000 2.489 4140 R HA 0.408 4.749 4.340 0.001 0.000 0.287 4140 R C 0.985 177.178 176.300 -0.179 0.000 1.053 4140 R CA 0.409 56.495 56.100 -0.025 0.000 1.036 4140 R CB 0.198 30.494 30.300 -0.007 0.000 0.966 4140 R HN -0.058 nan 8.270 nan 0.000 0.432 4141 G N 1.802 110.469 108.800 -0.222 0.000 2.136 4141 G HA2 -0.241 3.720 3.960 0.001 0.000 0.242 4141 G HA3 -0.241 3.720 3.960 0.001 0.000 0.242 4141 G C 0.054 174.549 174.900 -0.674 0.000 0.989 4141 G CA 0.238 45.088 45.100 -0.416 0.000 0.682 4141 G HN 0.849 nan 8.290 nan 0.000 0.522 4142 H N -1.879 117.203 119.070 0.021 0.000 3.474 4142 H HA 0.187 4.744 4.556 0.001 0.000 0.259 4142 H C 1.971 177.310 175.328 0.019 0.000 1.164 4142 H CA 0.372 56.431 56.048 0.018 0.000 1.078 4142 H CB -0.241 29.534 29.762 0.022 0.000 1.957 4142 H HN 0.202 nan 8.280 nan 0.000 0.765 4143 V N 1.420 121.387 119.914 0.089 0.000 2.231 4143 V HA -0.378 3.743 4.120 0.001 0.000 0.250 4143 V C 2.868 178.993 176.094 0.051 0.000 1.058 4143 V CA 2.739 65.083 62.300 0.073 0.000 1.022 4143 V CB -0.452 31.404 31.823 0.055 0.000 0.640 4143 V HN 0.278 nan 8.190 nan 0.000 0.445 4144 R N 1.268 121.777 120.500 0.015 0.000 2.115 4144 R HA -0.256 4.085 4.340 0.001 0.000 0.239 4144 R C 2.578 178.889 176.300 0.018 0.000 1.133 4144 R CA 2.609 58.701 56.100 -0.014 0.000 0.935 4144 R CB -1.175 29.111 30.300 -0.024 0.000 0.853 4144 R HN 0.602 nan 8.270 nan 0.000 0.433 4145 S N 0.046 115.779 115.700 0.055 0.000 2.372 4145 S HA -0.185 4.286 4.470 0.001 0.000 0.227 4145 S C 2.069 176.706 174.600 0.061 0.000 1.044 4145 S CA 1.746 59.978 58.200 0.054 0.000 1.050 4145 S CB -0.493 62.746 63.200 0.065 0.000 0.901 4145 S HN 0.430 nan 8.310 nan 0.000 0.447 4146 I N 1.281 121.899 120.570 0.080 0.000 2.179 4146 I HA -0.111 4.059 4.170 0.001 0.000 0.242 4146 I C 2.550 178.733 176.117 0.109 0.000 1.088 4146 I CA 1.221 62.579 61.300 0.097 0.000 1.357 4146 I CB -1.311 36.750 38.000 0.102 0.000 1.051 4146 I HN 0.270 nan 8.210 nan 0.000 0.409 4147 V N 1.280 121.238 119.914 0.073 0.000 2.392 4147 V HA -0.284 3.837 4.120 0.001 0.000 0.249 4147 V C 2.102 178.266 176.094 0.117 0.000 1.059 4147 V CA 1.944 64.286 62.300 0.070 0.000 1.051 4147 V CB -0.736 31.068 31.823 -0.031 0.000 0.658 4147 V HN 0.375 nan 8.190 nan 0.000 0.455 4148 D N 0.027 120.465 120.400 0.063 0.000 2.218 4148 D HA -0.114 4.527 4.640 0.001 0.000 0.204 4148 D C 1.843 178.217 176.300 0.124 0.000 0.976 4148 D CA 0.783 54.817 54.000 0.057 0.000 0.853 4148 D CB -0.409 40.400 40.800 0.015 0.000 0.939 4148 D HN 0.359 nan 8.370 nan 0.000 0.481 4149 N N -0.027 118.764 118.700 0.153 0.000 2.609 4149 N HA -0.100 4.641 4.740 0.001 0.000 0.190 4149 N C 0.022 175.685 175.510 0.255 0.000 1.157 4149 N CA 0.047 53.194 53.050 0.163 0.000 0.918 4149 N CB -0.087 38.491 38.487 0.152 0.000 0.978 4149 N HN 0.388 nan 8.380 nan 0.000 0.448 4150 W N 2.252 123.598 121.300 0.076 0.000 2.303 4150 W HA 0.101 4.762 4.660 0.001 0.000 0.318 4150 W C -1.746 174.826 176.519 0.090 0.000 1.362 4150 W CA -1.583 55.819 57.345 0.095 0.000 1.234 4150 W CB 0.995 30.545 29.460 0.149 0.000 1.248 4150 W HN 0.047 nan 8.180 nan 0.000 0.546 4151 P HA -0.024 nan 4.420 nan 0.000 0.252 4151 P C -0.762 176.337 177.300 -0.335 0.000 1.265 4151 P CA 0.989 63.855 63.100 -0.391 0.000 0.775 4151 P CB 0.137 31.572 31.700 -0.443 0.000 1.128 4152 E N -0.512 119.511 120.200 -0.296 0.000 2.187 4152 E HA 0.251 4.601 4.350 0.001 0.000 0.268 4152 E C 0.803 177.525 176.600 0.205 0.000 0.896 4152 E CA -0.515 55.856 56.400 -0.050 0.000 0.766 4152 E CB 0.597 30.274 29.700 -0.039 0.000 1.142 4152 E HN -0.181 nan 8.360 nan 0.000 0.408 4153 N N 0.970 119.777 118.700 0.177 0.000 2.132 4153 N HA -0.098 4.643 4.740 0.001 0.000 0.187 4153 N C -0.073 175.665 175.510 0.380 0.000 1.038 4153 N CA 0.888 54.097 53.050 0.264 0.000 0.846 4153 N CB -0.190 38.381 38.487 0.141 0.000 1.012 4153 N HN 0.429 nan 8.380 nan 0.000 0.429 4154 H N 0.867 120.003 119.070 0.111 0.000 2.652 4154 H HA 0.416 4.973 4.556 0.001 0.000 0.298 4154 H C -1.012 174.270 175.328 -0.076 0.000 1.076 4154 H CA -0.414 55.672 56.048 0.064 0.000 1.360 4154 H CB 0.264 30.049 29.762 0.038 0.000 1.421 4154 H HN -0.271 nan 8.280 nan 0.000 0.464 4155 V N 6.994 126.762 119.914 -0.243 0.000 2.531 4155 V HA 0.261 4.381 4.120 0.001 0.000 0.301 4155 V C 0.406 176.241 176.094 -0.432 0.000 1.034 4155 V CA -0.671 61.295 62.300 -0.556 0.000 0.865 4155 V CB 1.882 32.851 31.823 -1.423 0.000 0.995 4155 V HN 0.804 nan 8.190 nan 0.000 0.424 4156 K N 2.710 122.895 120.400 -0.358 0.000 2.462 4156 K HA 0.482 4.803 4.320 0.001 0.000 0.201 4156 K C 0.383 176.886 176.600 -0.162 0.000 1.268 4156 K CA 0.347 56.482 56.287 -0.254 0.000 0.933 4156 K CB 1.738 34.080 32.500 -0.262 0.000 1.162 4156 K HN 0.597 nan 8.250 nan 0.000 0.527 4157 A N 2.019 124.736 122.820 -0.171 0.000 2.330 4157 A HA 0.619 4.940 4.320 0.001 0.000 0.313 4157 A C -0.679 176.773 177.584 -0.220 0.000 1.124 4157 A CA -0.516 51.448 52.037 -0.123 0.000 0.774 4157 A CB 1.395 20.378 19.000 -0.028 0.000 1.198 4157 A HN -0.060 nan 8.150 nan 0.000 0.465 4158 V N 2.109 121.891 119.914 -0.220 0.000 2.864 4158 V HA 0.659 4.780 4.120 0.001 0.000 0.314 4158 V C -0.666 175.230 176.094 -0.331 0.000 1.073 4158 V CA -0.538 61.595 62.300 -0.278 0.000 0.956 4158 V CB 2.163 33.855 31.823 -0.217 0.000 1.023 4158 V HN 0.679 nan 8.190 nan 0.000 0.435 4159 V N 3.947 123.631 119.914 -0.385 0.000 2.524 4159 V HA 0.502 4.622 4.120 0.001 0.000 0.297 4159 V C -0.549 175.310 176.094 -0.392 0.000 1.035 4159 V CA -0.510 61.545 62.300 -0.409 0.000 0.867 4159 V CB 2.016 33.557 31.823 -0.471 0.000 1.004 4159 V HN 0.714 nan 8.190 nan 0.000 0.426 4160 V N 2.150 121.815 119.914 -0.414 0.000 2.769 4160 V HA 0.997 5.117 4.120 0.001 0.000 0.312 4160 V C -0.168 175.814 176.094 -0.187 0.000 1.058 4160 V CA -0.438 61.608 62.300 -0.423 0.000 0.952 4160 V CB 1.803 33.221 31.823 -0.673 0.000 1.019 4160 V HN 0.855 nan 8.190 nan 0.000 0.445 4161 T N 0.127 114.508 114.554 -0.288 0.000 2.802 4161 T HA 0.422 4.773 4.350 0.001 0.000 0.311 4161 T C -0.900 173.430 174.700 -0.617 0.000 1.405 4161 T CA 0.260 62.083 62.100 -0.462 0.000 1.016 4161 T CB 2.191 70.855 68.868 -0.341 0.000 1.352 4161 T HN 1.018 nan 8.240 nan 0.000 0.498 4162 D N 0.017 119.925 120.400 -0.819 0.000 2.500 4162 D HA 0.232 4.872 4.640 0.001 0.000 0.217 4162 D C 1.314 177.426 176.300 -0.312 0.000 1.159 4162 D CA 0.673 54.377 54.000 -0.494 0.000 0.828 4162 D CB -0.031 40.516 40.800 -0.422 0.000 1.039 4162 D HN 1.338 nan 8.370 nan 0.000 0.512 4163 G N 1.537 110.139 108.800 -0.329 0.000 2.176 4163 G HA2 -0.333 3.628 3.960 0.001 0.000 0.252 4163 G HA3 -0.333 3.628 3.960 0.001 0.000 0.252 4163 G C 0.639 175.457 174.900 -0.136 0.000 1.024 4163 G CA 0.534 45.520 45.100 -0.191 0.000 0.755 4163 G HN 0.408 nan 8.290 nan 0.000 0.507 4164 E N -0.653 119.457 120.200 -0.149 0.000 2.051 4164 E HA 0.034 4.384 4.350 0.001 0.000 0.189 4164 E C 1.817 178.387 176.600 -0.050 0.000 0.979 4164 E CA 0.425 56.782 56.400 -0.071 0.000 0.803 4164 E CB 0.154 29.839 29.700 -0.024 0.000 0.761 4164 E HN 0.393 nan 8.360 nan 0.000 0.451 4165 R N 1.108 121.580 120.500 -0.047 0.000 2.983 4165 R HA 0.161 4.502 4.340 0.001 0.000 0.300 4165 R C -0.832 175.446 176.300 -0.037 0.000 1.367 4165 R CA -0.414 55.672 56.100 -0.023 0.000 1.564 4165 R CB 0.184 30.493 30.300 0.014 0.000 1.314 4165 R HN 0.013 nan 8.270 nan 0.000 0.622 4166 I N 3.812 124.349 120.570 -0.056 0.000 2.664 4166 I HA -0.101 4.070 4.170 0.001 0.000 0.284 4166 I C 1.321 177.410 176.117 -0.046 0.000 1.154 4166 I CA 0.658 61.922 61.300 -0.059 0.000 1.402 4166 I CB -0.851 37.111 38.000 -0.063 0.000 1.395 4166 I HN 0.545 nan 8.210 nan 0.000 0.545 4167 L N 5.624 126.822 121.223 -0.041 0.000 6.057 4167 L HA -0.331 4.010 4.340 0.001 0.000 0.053 4167 L C 1.696 178.547 176.870 -0.031 0.000 1.767 4167 L CA 1.313 56.130 54.840 -0.039 0.000 1.858 4167 L CB -1.617 40.403 42.059 -0.064 0.000 2.520 4167 L HN 0.686 nan 8.230 nan 0.000 0.944 4168 G N -1.029 107.750 108.800 -0.035 0.000 2.848 4168 G HA2 0.240 4.201 3.960 0.001 0.000 0.208 4168 G HA3 0.240 4.201 3.960 0.001 0.000 0.208 4168 G C 0.975 175.857 174.900 -0.030 0.000 1.152 4168 G CA 0.348 45.431 45.100 -0.029 0.000 0.789 4168 G HN 0.258 nan 8.290 nan 0.000 0.531 4169 L N -0.295 120.908 121.223 -0.034 0.000 2.513 4169 L HA 0.369 4.710 4.340 0.001 0.000 0.222 4169 L C 1.854 178.703 176.870 -0.034 0.000 1.096 4169 L CA 1.015 55.835 54.840 -0.033 0.000 0.857 4169 L CB -0.331 41.709 42.059 -0.032 0.000 1.026 4169 L HN 0.364 nan 8.230 nan 0.000 0.469 4170 G N -0.444 108.336 108.800 -0.034 0.000 2.512 4170 G HA2 -0.325 3.636 3.960 0.001 0.000 0.254 4170 G HA3 -0.325 3.636 3.960 0.001 0.000 0.254 4170 G C -0.219 174.652 174.900 -0.048 0.000 1.199 4170 G CA -0.024 45.055 45.100 -0.035 0.000 0.941 4170 G HN 0.193 nan 8.290 nan 0.000 0.569 4171 D N 1.383 121.751 120.400 -0.054 0.000 2.348 4171 D HA 0.329 4.970 4.640 0.001 0.000 0.259 4171 D C 1.202 177.448 176.300 -0.090 0.000 1.296 4171 D CA 0.104 54.062 54.000 -0.069 0.000 0.931 4171 D CB -0.129 40.631 40.800 -0.068 0.000 1.067 4171 D HN 0.400 nan 8.370 nan 0.000 0.503 4172 L N 3.544 124.721 121.223 -0.078 0.000 3.017 4172 L HA 0.282 4.623 4.340 0.001 0.000 0.255 4172 L C 1.669 178.507 176.870 -0.052 0.000 1.247 4172 L CA -0.296 54.501 54.840 -0.072 0.000 1.038 4172 L CB -0.007 42.054 42.059 0.004 0.000 1.380 4172 L HN 0.605 nan 8.230 nan 0.000 0.548 4173 G N 1.335 110.101 108.800 -0.057 0.000 2.627 4173 G HA2 -0.418 3.543 3.960 0.001 0.000 0.312 4173 G HA3 -0.418 3.543 3.960 0.001 0.000 0.312 4173 G C 0.854 175.830 174.900 0.127 0.000 1.299 4173 G CA 0.701 45.846 45.100 0.075 0.000 0.989 4173 G HN 0.363 nan 8.290 nan 0.000 0.547 4174 V N -1.097 118.958 119.914 0.235 0.000 3.510 4174 V HA 0.259 4.380 4.120 0.001 0.000 0.270 4174 V C 1.920 178.191 176.094 0.294 0.000 1.201 4174 V CA 2.004 64.400 62.300 0.160 0.000 1.166 4174 V CB -0.944 30.937 31.823 0.097 0.000 0.825 4174 V HN 0.686 nan 8.190 nan 0.000 0.484 4175 Y N 1.434 121.775 120.300 0.067 0.000 2.457 4175 Y HA 0.275 4.825 4.550 0.001 0.000 0.292 4175 Y C 2.158 177.849 175.900 -0.349 0.000 1.125 4175 Y CA -0.181 57.895 58.100 -0.039 0.000 1.254 4175 Y CB 0.008 38.533 38.460 0.108 0.000 1.012 4175 Y HN 0.502 nan 8.280 nan 0.000 0.555 4179 I N 1.663 122.204 120.570 -0.049 0.000 2.206 4179 I HA 0.033 4.204 4.170 0.001 0.000 0.239 4179 I C -0.257 175.904 176.117 0.072 0.000 1.078 4179 I CA 1.039 62.397 61.300 0.096 0.000 1.367 4179 I CB -1.508 36.517 38.000 0.041 0.000 1.078 4179 I HN -0.044 nan 8.210 nan 0.000 0.413 4180 P HA -0.155 nan 4.420 nan 0.000 0.217 4180 P C 2.076 179.282 177.300 -0.157 0.000 1.158 4180 P CA 1.699 64.691 63.100 -0.180 0.000 0.887 4180 P CB -0.209 31.344 31.700 -0.245 0.000 0.792 4181 V N -0.479 119.388 119.914 -0.078 0.000 2.252 4181 V HA -0.237 3.884 4.120 0.001 0.000 0.249 4181 V C 2.604 178.703 176.094 0.008 0.000 1.056 4181 V CA 2.506 64.787 62.300 -0.031 0.000 1.022 4181 V CB -2.352 29.502 31.823 0.052 0.000 0.641 4181 V HN 0.169 nan 8.190 nan 0.000 0.445 4182 G N -0.055 108.818 108.800 0.122 0.000 2.440 4182 G HA2 -0.333 3.628 3.960 0.001 0.000 0.218 4182 G HA3 -0.333 3.628 3.960 0.001 0.000 0.218 4182 G C 1.643 176.456 174.900 -0.144 0.000 1.154 4182 G CA 1.159 46.392 45.100 0.223 0.000 0.767 4182 G HN 0.569 nan 8.290 nan 0.000 0.552 4183 K N -0.581 119.594 120.400 -0.374 0.000 2.097 4183 K HA 0.040 4.360 4.320 0.001 0.000 0.205 4183 K C 2.304 178.766 176.600 -0.231 0.000 1.050 4183 K CA 0.659 56.581 56.287 -0.608 0.000 0.938 4183 K CB -0.215 31.970 32.500 -0.525 0.000 0.718 4183 K HN 0.172 nan 8.250 nan 0.000 0.442 4184 L N 1.129 122.192 121.223 -0.267 0.000 2.109 4184 L HA -0.147 4.193 4.340 0.001 0.000 0.207 4184 L C 2.287 179.192 176.870 0.058 0.000 1.086 4184 L CA 1.222 55.906 54.840 -0.260 0.000 0.760 4184 L CB -1.057 40.804 42.059 -0.329 0.000 0.910 4184 L HN 0.383 nan 8.230 nan 0.000 0.437 4185 C N -0.503 118.855 119.300 0.096 0.000 2.398 4185 C HA -0.228 4.233 4.460 0.001 0.000 0.276 4185 C C 2.812 177.989 174.990 0.313 0.000 1.222 4185 C CA 0.618 59.807 59.018 0.286 0.000 1.746 4185 C CB -1.179 26.713 27.740 0.254 0.000 2.039 4185 C HN 0.461 nan 8.230 nan 0.000 0.470 4186 L N -1.112 120.242 121.223 0.218 0.000 2.083 4186 L HA -0.179 4.161 4.340 0.001 0.000 0.209 4186 L C 2.556 179.577 176.870 0.251 0.000 1.083 4186 L CA 1.580 56.544 54.840 0.207 0.000 0.752 4186 L CB -0.778 41.399 42.059 0.197 0.000 0.899 4186 L HN 0.293 nan 8.230 nan 0.000 0.433 4187 Y N 0.598 120.980 120.300 0.136 0.000 2.128 4187 Y HA -0.277 4.274 4.550 0.002 0.000 0.284 4187 Y C 2.851 178.743 175.900 -0.013 0.000 1.154 4187 Y CA 2.004 60.166 58.100 0.103 0.000 1.149 4187 Y CB -0.777 37.712 38.460 0.049 0.000 0.976 4187 Y HN 0.131 nan 8.280 nan 0.000 0.505 4188 T N -0.849 113.778 114.554 0.121 0.000 2.894 4188 T HA -0.022 4.329 4.350 0.001 0.000 0.258 4188 T C 2.142 176.775 174.700 -0.112 0.000 1.043 4188 T CA 0.979 62.991 62.100 -0.147 0.000 1.141 4188 T CB -0.500 68.067 68.868 -0.501 0.000 0.873 4188 T HN 0.360 nan 8.240 nan 0.000 0.449 4189 A N 0.457 123.319 122.820 0.071 0.000 2.015 4189 A HA -0.055 4.265 4.320 0.001 0.000 0.219 4189 A C 2.324 179.933 177.584 0.042 0.000 1.163 4189 A CA 1.398 53.512 52.037 0.130 0.000 0.646 4189 A CB -0.797 18.344 19.000 0.235 0.000 0.806 4189 A HN 0.687 nan 8.150 nan 0.000 0.448 4190 C N -2.779 116.519 119.300 -0.003 0.000 3.097 4190 C HA 0.606 5.067 4.460 0.001 0.000 0.335 4190 C C 2.696 177.639 174.990 -0.079 0.000 1.283 4190 C CA -0.043 58.938 59.018 -0.061 0.000 1.778 4190 C CB -0.281 27.381 27.740 -0.130 0.000 2.365 4190 C HN 0.640 nan 8.230 nan 0.000 0.627 4191 A N 0.554 123.327 122.820 -0.078 0.000 1.973 4191 A HA 0.509 4.829 4.320 0.001 0.000 0.210 4191 A C 1.799 179.350 177.584 -0.055 0.000 1.200 4191 A CA 1.348 53.332 52.037 -0.088 0.000 0.707 4191 A CB -0.689 18.239 19.000 -0.119 0.000 0.862 4191 A HN 1.368 nan 8.150 nan 0.000 0.461 4192 G N -0.766 108.013 108.800 -0.035 0.000 2.141 4192 G HA2 -0.141 3.820 3.960 0.001 0.000 0.195 4192 G HA3 -0.141 3.820 3.960 0.001 0.000 0.195 4192 G C -0.079 174.817 174.900 -0.007 0.000 1.012 4192 G CA 0.035 45.142 45.100 0.013 0.000 0.696 4192 G HN 0.384 nan 8.290 nan 0.000 0.508 4193 I N 0.738 121.256 120.570 -0.086 0.000 2.428 4193 I HA 0.300 4.471 4.170 0.001 0.000 0.289 4193 I C 1.312 177.240 176.117 -0.315 0.000 1.019 4193 I CA -0.787 60.438 61.300 -0.126 0.000 1.351 4193 I CB 0.772 38.738 38.000 -0.057 0.000 1.412 4193 I HN 0.033 nan 8.210 nan 0.000 0.513 4194 R N 6.981 127.290 120.500 -0.318 0.000 2.483 4194 R HA 0.021 4.361 4.340 0.001 0.000 0.329 4194 R C -1.606 174.377 176.300 -0.529 0.000 0.961 4194 R CA -1.105 54.662 56.100 -0.555 0.000 1.041 4194 R CB 0.029 30.174 30.300 -0.259 0.000 0.930 4194 R HN 0.382 nan 8.270 nan 0.000 0.413 4195 P HA -0.195 nan 4.420 nan 0.000 0.218 4195 P C 0.113 177.273 177.300 -0.233 0.000 1.146 4195 P CA 1.232 64.067 63.100 -0.442 0.000 0.813 4195 P CB 0.257 31.679 31.700 -0.463 0.000 0.778 4196 D N -1.030 119.236 120.400 -0.223 0.000 2.183 4196 D HA -0.075 4.566 4.640 0.001 0.000 0.203 4196 D C 1.502 177.750 176.300 -0.087 0.000 0.969 4196 D CA 0.804 54.743 54.000 -0.102 0.000 0.842 4196 D CB -0.495 40.270 40.800 -0.058 0.000 0.957 4196 D HN 0.207 nan 8.370 nan 0.000 0.484 4197 R N 0.121 120.532 120.500 -0.147 0.000 2.335 4197 R HA 0.161 4.502 4.340 0.001 0.000 0.223 4197 R C -0.011 176.174 176.300 -0.192 0.000 0.940 4197 R CA -0.054 55.936 56.100 -0.183 0.000 1.086 4197 R CB -0.564 29.604 30.300 -0.219 0.000 1.073 4197 R HN 0.159 nan 8.270 nan 0.000 0.504 4198 C N 1.181 120.390 119.300 -0.150 0.000 2.411 4198 C HA 0.682 5.143 4.460 0.001 0.000 0.330 4198 C C -0.164 174.753 174.990 -0.122 0.000 1.224 4198 C CA -1.091 57.827 59.018 -0.166 0.000 1.770 4198 C CB 1.274 28.912 27.740 -0.169 0.000 2.297 4198 C HN 0.392 nan 8.230 nan 0.000 0.507 4199 L N 5.253 126.338 121.223 -0.229 0.000 2.528 4199 L HA 0.653 4.994 4.340 0.001 0.000 0.267 4199 L C -2.855 173.789 176.870 -0.376 0.000 0.961 4199 L CA -1.197 53.458 54.840 -0.309 0.000 0.866 4199 L CB 2.209 43.962 42.059 -0.509 0.000 1.248 4199 L HN 0.448 nan 8.230 nan 0.000 0.404 4200 P HA 0.362 nan 4.420 nan 0.000 0.297 4200 P C -1.292 175.751 177.300 -0.427 0.000 1.319 4200 P CA -0.306 62.583 63.100 -0.351 0.000 0.810 4200 P CB 1.926 33.475 31.700 -0.253 0.000 0.947 4201 V N 4.021 123.672 119.914 -0.439 0.000 2.628 4201 V HA 0.432 4.553 4.120 0.001 0.000 0.306 4201 V C 0.153 175.929 176.094 -0.530 0.000 1.045 4201 V CA -0.519 61.485 62.300 -0.493 0.000 0.905 4201 V CB 2.168 33.722 31.823 -0.448 0.000 0.997 4201 V HN 0.776 nan 8.190 nan 0.000 0.436 4202 C N 6.698 125.635 119.300 -0.604 0.000 2.441 4202 C HA 0.711 5.172 4.460 0.001 0.000 0.318 4202 C C -0.547 174.161 174.990 -0.470 0.000 1.222 4202 C CA -0.512 58.173 59.018 -0.554 0.000 1.474 4202 C CB -0.205 27.148 27.740 -0.644 0.000 2.125 4202 C HN 0.808 nan 8.230 nan 0.000 0.479 4203 I N 4.710 125.042 120.570 -0.396 0.000 2.377 4203 I HA 0.352 4.523 4.170 0.001 0.000 0.293 4203 I C -0.717 175.282 176.117 -0.197 0.000 0.987 4203 I CA 0.064 61.181 61.300 -0.305 0.000 1.185 4203 I CB 1.659 39.444 38.000 -0.359 0.000 1.341 4203 I HN 0.636 nan 8.210 nan 0.000 0.455 4204 D N 6.166 126.500 120.400 -0.110 0.000 2.441 4204 D HA 0.331 4.971 4.640 0.001 0.000 0.231 4204 D C -0.042 176.261 176.300 0.004 0.000 1.073 4204 D CA -0.417 53.560 54.000 -0.038 0.000 0.850 4204 D CB 1.444 42.243 40.800 -0.002 0.000 1.062 4204 D HN 0.299 nan 8.370 nan 0.000 0.524 4205 V N 2.232 122.168 119.914 0.038 0.000 2.894 4205 V HA 0.719 4.840 4.120 0.001 0.000 0.373 4205 V C 1.093 177.241 176.094 0.090 0.000 1.286 4205 V CA -0.047 62.308 62.300 0.092 0.000 1.331 4205 V CB -0.449 31.495 31.823 0.202 0.000 1.415 4205 V HN 0.722 nan 8.190 nan 0.000 0.585 4206 G N 0.596 109.440 108.800 0.072 0.000 2.750 4206 G HA2 -0.022 3.939 3.960 0.001 0.000 0.228 4206 G HA3 -0.022 3.939 3.960 0.001 0.000 0.228 4206 G C -0.212 174.717 174.900 0.047 0.000 1.367 4206 G CA 0.270 45.412 45.100 0.071 0.000 0.871 4206 G HN 1.214 nan 8.290 nan 0.000 0.560 4207 T N -2.903 111.653 114.554 0.003 0.000 2.654 4207 T HA 0.659 5.010 4.350 0.001 0.000 0.289 4207 T C -0.228 174.436 174.700 -0.061 0.000 1.062 4207 T CA 0.684 62.755 62.100 -0.049 0.000 1.041 4207 T CB 1.810 70.592 68.868 -0.144 0.000 1.417 4207 T HN 0.482 nan 8.240 nan 0.000 0.510 4208 D N 0.241 120.592 120.400 -0.083 0.000 2.448 4208 D HA 0.188 4.829 4.640 0.001 0.000 0.256 4208 D C 0.160 176.403 176.300 -0.094 0.000 1.108 4208 D CA -0.066 53.893 54.000 -0.068 0.000 0.848 4208 D CB 0.142 40.914 40.800 -0.047 0.000 1.281 4208 D HN 0.476 nan 8.370 nan 0.000 0.509 4209 N N 2.629 121.249 118.700 -0.134 0.000 2.429 4209 N HA -0.069 4.672 4.740 0.001 0.000 0.271 4209 N C 1.354 176.761 175.510 -0.171 0.000 1.272 4209 N CA 0.042 53.001 53.050 -0.151 0.000 0.921 4209 N CB 0.374 38.744 38.487 -0.195 0.000 1.128 4209 N HN -0.039 nan 8.380 nan 0.000 0.481 4210 I N 3.564 124.066 120.570 -0.114 0.000 2.076 4210 I HA -0.301 3.870 4.170 0.001 0.000 0.237 4210 I C 2.354 178.403 176.117 -0.113 0.000 1.059 4210 I CA 1.469 62.713 61.300 -0.095 0.000 1.317 4210 I CB -2.160 35.806 38.000 -0.057 0.000 1.037 4210 I HN 0.592 nan 8.210 nan 0.000 0.398 4211 A N 1.275 124.035 122.820 -0.100 0.000 1.929 4211 A HA -0.252 4.069 4.320 0.001 0.000 0.221 4211 A C 2.485 179.989 177.584 -0.133 0.000 1.211 4211 A CA 2.238 54.223 52.037 -0.087 0.000 0.657 4211 A CB -1.160 17.798 19.000 -0.070 0.000 0.827 4211 A HN 0.475 nan 8.150 nan 0.000 0.462 4212 L N -1.278 119.785 121.223 -0.267 0.000 1.976 4212 L HA -0.166 4.175 4.340 0.001 0.000 0.209 4212 L C 2.355 178.945 176.870 -0.467 0.000 1.071 4212 L CA 1.344 55.883 54.840 -0.502 0.000 0.746 4212 L CB -0.595 40.926 42.059 -0.896 0.000 0.890 4212 L HN 0.364 nan 8.230 nan 0.000 0.432 4213 L N -0.244 120.733 121.223 -0.410 0.000 2.563 4213 L HA -0.241 4.100 4.340 0.001 0.000 0.230 4213 L C 1.661 178.613 176.870 0.136 0.000 1.162 4213 L CA 1.248 55.996 54.840 -0.153 0.000 0.812 4213 L CB -0.458 41.558 42.059 -0.072 0.000 0.935 4213 L HN 0.251 nan 8.230 nan 0.000 0.451 4214 K N -2.151 118.277 120.400 0.046 0.000 2.402 4214 K HA 0.118 4.439 4.320 0.001 0.000 0.203 4214 K C 0.104 176.759 176.600 0.092 0.000 1.077 4214 K CA -0.226 56.109 56.287 0.080 0.000 1.051 4214 K CB 0.433 32.944 32.500 0.018 0.000 0.907 4214 K HN -0.066 nan 8.250 nan 0.000 0.554 4215 D N 2.446 122.908 120.400 0.103 0.000 2.343 4215 D HA 0.043 4.684 4.640 0.001 0.000 0.255 4215 D C -1.649 174.746 176.300 0.157 0.000 1.187 4215 D CA -2.220 51.859 54.000 0.131 0.000 0.875 4215 D CB 1.218 42.145 40.800 0.211 0.000 1.136 4215 D HN -0.046 nan 8.370 nan 0.000 0.469 4216 P HA -0.030 nan 4.420 nan 0.000 0.244 4216 P C 0.146 177.259 177.300 -0.312 0.000 1.211 4216 P CA 0.425 63.365 63.100 -0.266 0.000 0.760 4216 P CB -0.032 31.349 31.700 -0.530 0.000 0.961 4217 F N -3.224 116.824 119.950 0.163 0.000 2.798 4217 F HA 0.242 4.770 4.527 0.002 0.000 0.328 4217 F C 1.347 177.312 175.800 0.276 0.000 1.098 4217 F CA -1.725 56.332 58.000 0.095 0.000 1.172 4217 F CB -0.838 38.073 39.000 -0.149 0.000 1.072 4217 F HN -0.163 nan 8.300 nan 0.000 0.555 4221 L N 0.601 121.781 121.223 -0.072 0.000 2.349 4221 L HA 0.445 4.786 4.340 0.001 0.000 0.275 4221 L C -0.602 176.355 176.870 0.145 0.000 1.115 4221 L CA -0.959 53.938 54.840 0.095 0.000 0.820 4221 L CB 0.342 42.456 42.059 0.092 0.000 1.135 4221 L HN 0.448 nan 8.230 nan 0.000 0.445 4222 Y N 3.386 123.776 120.300 0.150 0.000 2.691 4222 Y HA 0.445 4.996 4.550 0.002 0.000 0.338 4222 Y C 0.454 176.395 175.900 0.068 0.000 1.148 4222 Y CA -0.364 57.813 58.100 0.129 0.000 1.430 4222 Y CB 0.032 38.547 38.460 0.092 0.000 1.303 4222 Y HN 0.635 nan 8.280 nan 0.000 0.499 4223 Q N -0.488 119.395 119.800 0.138 0.000 2.738 4223 Q HA 0.517 4.858 4.340 0.001 0.000 0.301 4223 Q C -1.563 174.465 176.000 0.047 0.000 0.901 4223 Q CA -1.503 54.356 55.803 0.093 0.000 0.756 4223 Q CB 1.247 30.041 28.738 0.093 0.000 1.463 4223 Q HN -0.072 nan 8.270 nan 0.000 0.432 4224 K N 0.994 121.417 120.400 0.037 0.000 2.218 4224 K HA 0.359 4.679 4.320 0.001 0.000 0.276 4224 K C -0.412 176.206 176.600 0.030 0.000 1.022 4224 K CA -0.589 55.709 56.287 0.019 0.000 0.946 4224 K CB 0.935 33.444 32.500 0.014 0.000 1.000 4224 K HN 0.571 nan 8.250 nan 0.000 0.468 4225 R N 1.805 122.317 120.500 0.020 0.000 2.500 4225 R HA -0.131 4.210 4.340 0.001 0.000 0.281 4225 R C 0.145 176.475 176.300 0.050 0.000 0.953 4225 R CA 0.803 56.926 56.100 0.039 0.000 1.108 4225 R CB 0.171 30.480 30.300 0.015 0.000 0.901 4225 R HN 0.510 nan 8.270 nan 0.000 0.410 4226 D N 3.156 123.615 120.400 0.099 0.000 2.249 4226 D HA 0.100 4.741 4.640 0.001 0.000 0.246 4226 D C 0.027 176.382 176.300 0.092 0.000 1.114 4226 D CA -0.179 53.885 54.000 0.105 0.000 0.854 4226 D CB 0.942 41.828 40.800 0.143 0.000 1.132 4226 D HN 0.478 nan 8.370 nan 0.000 0.461 4227 R N 1.306 121.810 120.500 0.006 0.000 2.344 4227 R HA 0.077 4.418 4.340 0.001 0.000 0.209 4227 R C 1.225 177.505 176.300 -0.033 0.000 0.886 4227 R CA -0.056 55.976 56.100 -0.114 0.000 1.040 4227 R CB 0.390 30.608 30.300 -0.137 0.000 1.114 4227 R HN 0.553 nan 8.270 nan 0.000 0.547 4228 T N -0.850 113.728 114.554 0.039 0.000 2.589 4228 T HA -0.117 4.234 4.350 0.001 0.000 0.342 4228 T C 1.418 176.185 174.700 0.111 0.000 1.044 4228 T CA -0.112 62.023 62.100 0.057 0.000 1.020 4228 T CB 0.665 69.568 68.868 0.058 0.000 1.070 4228 T HN -0.048 nan 8.240 nan 0.000 0.524 4229 Q N 0.387 120.246 119.800 0.098 0.000 2.082 4229 Q HA -0.212 4.129 4.340 0.001 0.000 0.211 4229 Q C 2.548 178.647 176.000 0.164 0.000 1.002 4229 Q CA 2.578 58.455 55.803 0.122 0.000 0.868 4229 Q CB -1.009 27.782 28.738 0.088 0.000 0.931 4229 Q HN 0.873 nan 8.270 nan 0.000 0.414 4230 Q N -1.652 118.230 119.800 0.137 0.000 2.268 4230 Q HA -0.270 4.071 4.340 0.001 0.000 0.213 4230 Q C 1.815 177.918 176.000 0.173 0.000 0.995 4230 Q CA 1.974 57.855 55.803 0.129 0.000 0.901 4230 Q CB -0.470 28.332 28.738 0.107 0.000 0.921 4230 Q HN 0.578 nan 8.270 nan 0.000 0.421 4231 Y N 1.195 121.552 120.300 0.094 0.000 2.176 4231 Y HA -0.169 4.382 4.550 0.001 0.000 0.291 4231 Y C 1.476 177.481 175.900 0.175 0.000 1.122 4231 Y CA 1.717 59.892 58.100 0.125 0.000 1.128 4231 Y CB 0.046 38.585 38.460 0.132 0.000 1.005 4231 Y HN 0.022 nan 8.280 nan 0.000 0.509 4232 D N 0.376 121.089 120.400 0.522 0.000 2.182 4232 D HA -0.172 4.469 4.640 0.001 0.000 0.201 4232 D C 1.460 177.928 176.300 0.281 0.000 0.986 4232 D CA 1.742 56.017 54.000 0.458 0.000 0.847 4232 D CB -0.187 40.818 40.800 0.342 0.000 0.942 4232 D HN 0.463 nan 8.370 nan 0.000 0.467 4233 D N -0.172 120.345 120.400 0.196 0.000 2.091 4233 D HA -0.085 4.556 4.640 0.001 0.000 0.199 4233 D C 1.919 178.273 176.300 0.090 0.000 0.980 4233 D CA 0.268 54.350 54.000 0.135 0.000 0.831 4233 D CB -0.564 40.297 40.800 0.101 0.000 0.987 4233 D HN 0.076 nan 8.370 nan 0.000 0.460 4234 L N 0.909 122.158 121.223 0.044 0.000 2.189 4234 L HA -0.144 4.197 4.340 0.001 0.000 0.214 4234 L C 1.809 178.667 176.870 -0.021 0.000 1.097 4234 L CA 1.267 56.102 54.840 -0.009 0.000 0.764 4234 L CB -0.212 41.809 42.059 -0.064 0.000 0.900 4234 L HN 0.064 nan 8.230 nan 0.000 0.436 4235 I N -1.929 118.613 120.570 -0.048 0.000 2.716 4235 I HA -0.112 4.059 4.170 0.001 0.000 0.259 4235 I C 1.881 178.018 176.117 0.033 0.000 1.172 4235 I CA 0.807 62.065 61.300 -0.069 0.000 1.478 4235 I CB -1.282 36.564 38.000 -0.256 0.000 1.104 4235 I HN 0.208 nan 8.210 nan 0.000 0.439 4236 D N 1.157 121.647 120.400 0.149 0.000 2.144 4236 D HA -0.189 4.452 4.640 0.001 0.000 0.200 4236 D C 2.216 178.560 176.300 0.073 0.000 0.978 4236 D CA 0.987 55.108 54.000 0.201 0.000 0.833 4236 D CB 0.202 41.159 40.800 0.262 0.000 0.961 4236 D HN 0.361 nan 8.370 nan 0.000 0.470 4237 E N -0.531 119.703 120.200 0.056 0.000 2.047 4237 E HA -0.125 4.226 4.350 0.001 0.000 0.191 4237 E C 0.775 177.358 176.600 -0.028 0.000 0.987 4237 E CA 0.090 56.500 56.400 0.016 0.000 0.799 4237 E CB 0.000 29.712 29.700 0.019 0.000 0.752 4237 E HN 0.202 nan 8.360 nan 0.000 0.449 4241 A N 2.505 125.175 122.820 -0.249 0.000 1.909 4241 A HA -0.251 4.070 4.320 0.001 0.000 0.221 4241 A C 1.935 179.331 177.584 -0.313 0.000 1.223 4241 A CA 2.169 54.065 52.037 -0.234 0.000 0.658 4241 A CB -0.823 18.055 19.000 -0.203 0.000 0.831 4241 A HN 0.385 nan 8.150 nan 0.000 0.462 4242 I N 0.339 120.602 120.570 -0.512 0.000 2.127 4242 I HA -0.236 3.935 4.170 0.001 0.000 0.241 4242 I C 2.827 178.769 176.117 -0.292 0.000 1.075 4242 I CA 2.445 63.463 61.300 -0.469 0.000 1.334 4242 I CB -1.688 35.806 38.000 -0.843 0.000 1.040 4242 I HN 0.593 nan 8.210 nan 0.000 0.405 4243 T N -1.102 113.251 114.554 -0.335 0.000 2.788 4243 T HA -0.175 4.176 4.350 0.001 0.000 0.268 4243 T C 1.531 176.169 174.700 -0.104 0.000 1.044 4243 T CA 1.331 63.320 62.100 -0.185 0.000 1.139 4243 T CB -0.506 68.256 68.868 -0.177 0.000 0.867 4243 T HN 0.215 nan 8.240 nan 0.000 0.454 4244 D N 1.461 121.785 120.400 -0.126 0.000 2.106 4244 D HA -0.136 4.504 4.640 0.001 0.000 0.191 4244 D C 2.247 178.469 176.300 -0.130 0.000 0.997 4244 D CA 1.480 55.424 54.000 -0.094 0.000 0.834 4244 D CB -0.372 40.370 40.800 -0.097 0.000 0.956 4244 D HN 0.477 nan 8.370 nan 0.000 0.448 4245 R N -0.555 119.803 120.500 -0.237 0.000 2.073 4245 R HA -0.097 4.244 4.340 0.001 0.000 0.229 4245 R C 1.879 177.933 176.300 -0.411 0.000 1.120 4245 R CA 1.065 56.936 56.100 -0.381 0.000 0.967 4245 R CB -0.202 29.733 30.300 -0.608 0.000 0.862 4245 R HN 0.272 nan 8.270 nan 0.000 0.436 4246 Y N -0.564 119.715 120.300 -0.035 0.000 2.462 4246 Y HA 0.346 4.897 4.550 0.001 0.000 0.261 4246 Y C 0.882 176.791 175.900 0.014 0.000 1.146 4246 Y CA 0.092 58.193 58.100 0.001 0.000 1.283 4246 Y CB 1.373 39.814 38.460 -0.032 0.000 1.090 4246 Y HN 0.424 nan 8.280 nan 0.000 0.526 4247 G N 0.142 108.997 108.800 0.091 0.000 2.371 4247 G HA2 -0.090 3.871 3.960 0.001 0.000 0.663 4247 G HA3 -0.090 3.871 3.960 0.001 0.000 0.663 4247 G C -0.460 174.475 174.900 0.059 0.000 1.311 4247 G CA -0.848 44.303 45.100 0.085 0.000 0.985 4247 G HN 0.023 nan 8.290 nan 0.000 0.566 4248 R N 0.088 120.637 120.500 0.082 0.000 2.404 4248 R HA 0.209 4.550 4.340 0.001 0.000 0.237 4248 R C 2.059 178.408 176.300 0.081 0.000 0.907 4248 R CA 0.890 57.054 56.100 0.106 0.000 1.063 4248 R CB 0.076 30.460 30.300 0.140 0.000 1.134 4248 R HN 0.558 nan 8.270 nan 0.000 0.529 4249 N N -1.096 117.643 118.700 0.065 0.000 2.353 4249 N HA -0.022 4.719 4.740 0.001 0.000 0.185 4249 N C -0.309 175.208 175.510 0.012 0.000 1.098 4249 N CA 0.205 53.274 53.050 0.032 0.000 0.872 4249 N CB 0.021 38.547 38.487 0.066 0.000 0.970 4249 N HN -0.204 nan 8.380 nan 0.000 0.467 4250 T N 2.476 117.038 114.554 0.013 0.000 2.822 4250 T HA -0.025 4.326 4.350 0.001 0.000 0.288 4250 T C -0.077 174.602 174.700 -0.035 0.000 0.991 4250 T CA -0.150 61.938 62.100 -0.021 0.000 1.176 4250 T CB 0.011 68.865 68.868 -0.024 0.000 0.951 4250 T HN 0.141 nan 8.240 nan 0.000 0.526 4251 L N 7.547 128.754 121.223 -0.027 0.000 2.385 4251 L HA 0.405 4.746 4.340 0.001 0.000 0.281 4251 L C -0.445 176.413 176.870 -0.020 0.000 1.106 4251 L CA 0.255 55.109 54.840 0.023 0.000 0.856 4251 L CB -0.365 41.735 42.059 0.067 0.000 1.186 4251 L HN 0.550 nan 8.230 nan 0.000 0.453 4252 I N 5.361 125.920 120.570 -0.018 0.000 2.382 4252 I HA 0.318 4.489 4.170 0.001 0.000 0.286 4252 I C -0.260 175.779 176.117 -0.131 0.000 1.002 4252 I CA -0.502 60.722 61.300 -0.128 0.000 1.135 4252 I CB 1.543 39.424 38.000 -0.198 0.000 1.288 4252 I HN 0.540 nan 8.210 nan 0.000 0.448 4253 Q N 6.298 125.939 119.800 -0.265 0.000 2.307 4253 Q HA 0.450 4.791 4.340 0.001 0.000 0.262 4253 Q C -1.413 174.340 176.000 -0.412 0.000 0.961 4253 Q CA -0.680 54.864 55.803 -0.432 0.000 0.882 4253 Q CB 1.739 30.189 28.738 -0.481 0.000 1.264 4253 Q HN 0.426 nan 8.270 nan 0.000 0.446 4254 F N 1.941 121.690 119.950 -0.334 0.000 2.382 4254 F HA 0.346 4.874 4.527 0.001 0.000 0.331 4254 F C 0.829 176.558 175.800 -0.119 0.000 1.121 4254 F CA 0.244 58.140 58.000 -0.173 0.000 1.183 4254 F CB 1.048 39.900 39.000 -0.247 0.000 1.207 4254 F HN 0.392 nan 8.300 nan 0.000 0.555 4255 E N 0.303 120.678 120.200 0.292 0.000 2.392 4255 E HA 0.124 4.475 4.350 0.001 0.000 0.279 4255 E C -1.502 175.211 176.600 0.188 0.000 0.964 4255 E CA -0.798 55.684 56.400 0.137 0.000 0.777 4255 E CB 1.949 31.619 29.700 -0.051 0.000 1.249 4255 E HN 0.456 nan 8.360 nan 0.000 0.449 4256 D N 1.209 121.660 120.400 0.086 0.000 2.829 4256 D HA -0.220 4.421 4.640 0.001 0.000 0.219 4256 D C -0.445 175.839 176.300 -0.027 0.000 1.239 4256 D CA 0.960 54.972 54.000 0.020 0.000 0.685 4256 D CB -0.948 39.818 40.800 -0.057 0.000 0.950 4256 D HN 0.229 nan 8.370 nan 0.000 0.398 4257 F N -0.252 119.722 119.950 0.040 0.000 2.537 4257 F HA 0.587 5.115 4.527 0.001 0.000 0.232 4257 F C 2.002 177.847 175.800 0.076 0.000 1.007 4257 F CA 0.177 58.232 58.000 0.092 0.000 1.042 4257 F CB 0.439 39.534 39.000 0.158 0.000 2.119 4257 F HN 0.002 nan 8.300 nan 0.000 0.625 4258 G N 0.422 109.459 108.800 0.394 0.000 5.001 4258 G HA2 0.206 4.167 3.960 0.001 0.000 0.304 4258 G HA3 0.206 4.167 3.960 0.001 0.000 0.304 4258 G C -0.003 175.016 174.900 0.198 0.000 1.400 4258 G CA -0.160 45.068 45.100 0.214 0.000 1.029 4258 G HN 0.564 nan 8.290 nan 0.000 0.584 4259 N N 0.679 119.495 118.700 0.193 0.000 2.906 4259 N HA -0.436 4.305 4.740 0.001 0.000 0.167 4259 N C 1.553 177.250 175.510 0.312 0.000 0.187 4259 N CA 2.549 55.743 53.050 0.240 0.000 2.060 4259 N CB -0.874 37.725 38.487 0.187 0.000 1.161 4259 N HN 0.515 nan 8.380 nan 0.000 0.425 4260 H N 2.962 122.086 119.070 0.091 0.000 2.261 4260 H HA -0.081 4.476 4.556 0.002 0.000 0.290 4260 H C 1.860 177.154 175.328 -0.055 0.000 1.081 4260 H CA 2.616 58.675 56.048 0.020 0.000 1.196 4260 H CB -0.871 28.868 29.762 -0.038 0.000 1.350 4260 H HN 0.469 nan 8.280 nan 0.000 0.498 4261 N N 0.628 119.285 118.700 -0.073 0.000 2.018 4261 N HA -0.213 4.527 4.740 0.001 0.000 0.196 4261 N C 2.108 177.426 175.510 -0.320 0.000 1.043 4261 N CA 1.403 54.173 53.050 -0.468 0.000 0.856 4261 N CB -0.517 37.916 38.487 -0.090 0.000 1.042 4261 N HN 0.461 nan 8.380 nan 0.000 0.423 4262 A N 0.808 123.591 122.820 -0.061 0.000 1.997 4262 A HA -0.176 4.145 4.320 0.001 0.000 0.221 4262 A C 1.910 179.333 177.584 -0.268 0.000 1.172 4262 A CA 1.477 53.406 52.037 -0.181 0.000 0.645 4262 A CB -0.803 18.150 19.000 -0.079 0.000 0.813 4262 A HN 0.285 nan 8.150 nan 0.000 0.454 4263 F N -0.560 119.300 119.950 -0.150 0.000 2.262 4263 F HA 0.016 4.544 4.527 0.001 0.000 0.292 4263 F C 2.557 178.325 175.800 -0.054 0.000 1.081 4263 F CA 1.188 59.104 58.000 -0.140 0.000 1.355 4263 F CB -0.135 38.712 39.000 -0.255 0.000 1.069 4263 F HN 0.285 nan 8.300 nan 0.000 0.506 4264 R N 0.033 120.584 120.500 0.085 0.000 2.062 4264 R HA -0.154 4.187 4.340 0.001 0.000 0.231 4264 R C 2.053 178.267 176.300 -0.143 0.000 1.136 4264 R CA 1.921 57.993 56.100 -0.047 0.000 0.948 4264 R CB -1.557 28.629 30.300 -0.190 0.000 0.845 4264 R HN 0.210 nan 8.270 nan 0.000 0.430 4265 F N 1.032 120.841 119.950 -0.236 0.000 2.202 4265 F HA -0.180 4.348 4.527 0.001 0.000 0.301 4265 F C 2.295 177.891 175.800 -0.340 0.000 1.082 4265 F CA 0.257 58.013 58.000 -0.407 0.000 1.313 4265 F CB -0.157 38.423 39.000 -0.701 0.000 1.024 4265 F HN 0.113 nan 8.300 nan 0.000 0.495 4266 L N 0.576 121.735 121.223 -0.107 0.000 2.027 4266 L HA -0.129 4.212 4.340 0.001 0.000 0.206 4266 L C 2.361 179.276 176.870 0.076 0.000 1.074 4266 L CA 1.686 56.510 54.840 -0.027 0.000 0.745 4266 L CB -0.968 41.050 42.059 -0.067 0.000 0.898 4266 L HN -0.045 nan 8.230 nan 0.000 0.433 4267 R N 0.025 120.570 120.500 0.076 0.000 2.073 4267 R HA -0.201 4.139 4.340 0.001 0.000 0.234 4267 R C 2.310 178.630 176.300 0.033 0.000 1.134 4267 R CA 1.797 57.951 56.100 0.091 0.000 0.952 4267 R CB -0.267 30.101 30.300 0.112 0.000 0.850 4267 R HN 0.460 nan 8.270 nan 0.000 0.433 4268 K N -0.072 120.293 120.400 -0.058 0.000 1.963 4268 K HA -0.170 4.151 4.320 0.001 0.000 0.216 4268 K C 1.844 178.398 176.600 -0.077 0.000 1.045 4268 K CA 1.794 57.976 56.287 -0.176 0.000 0.954 4268 K CB -0.354 31.863 32.500 -0.472 0.000 0.732 4268 K HN 0.182 nan 8.250 nan 0.000 0.442 4269 Y N 0.639 121.049 120.300 0.184 0.000 2.578 4269 Y HA 0.002 4.553 4.550 0.001 0.000 0.297 4269 Y C 2.201 178.259 175.900 0.263 0.000 1.176 4269 Y CA 0.379 58.629 58.100 0.249 0.000 1.315 4269 Y CB -0.078 38.640 38.460 0.431 0.000 1.031 4269 Y HN 0.242 nan 8.280 nan 0.000 0.524 4270 R N 1.010 121.701 120.500 0.320 0.000 2.105 4270 R HA -0.184 4.157 4.340 0.001 0.000 0.239 4270 R C 1.425 177.931 176.300 0.344 0.000 1.135 4270 R CA 1.875 58.163 56.100 0.315 0.000 0.967 4270 R CB -0.077 30.358 30.300 0.226 0.000 0.861 4270 R HN 0.119 nan 8.270 nan 0.000 0.442 4271 E N 0.001 120.331 120.200 0.216 0.000 2.476 4271 E HA 0.051 4.402 4.350 0.001 0.000 0.199 4271 E C 0.933 177.646 176.600 0.188 0.000 1.021 4271 E CA 0.347 56.772 56.400 0.042 0.000 0.907 4271 E CB 0.580 30.233 29.700 -0.079 0.000 0.974 4271 E HN 0.361 nan 8.360 nan 0.000 0.489 4272 K N -0.987 119.533 120.400 0.200 0.000 2.356 4272 K HA 0.100 4.421 4.320 0.001 0.000 0.195 4272 K C 0.097 176.531 176.600 -0.276 0.000 1.037 4272 K CA 0.446 56.683 56.287 -0.083 0.000 1.014 4272 K CB 0.641 32.965 32.500 -0.293 0.000 0.815 4272 K HN -0.002 nan 8.250 nan 0.000 0.507 4273 Y N -2.861 117.618 120.300 0.299 0.000 3.141 4273 Y HA 0.215 4.766 4.550 0.001 0.000 0.290 4273 Y C -0.462 175.395 175.900 -0.072 0.000 1.817 4273 Y CA -1.372 56.768 58.100 0.067 0.000 1.067 4273 Y CB 1.054 39.561 38.460 0.078 0.000 1.645 4273 Y HN -0.280 nan 8.280 nan 0.000 0.470 4274 C N 1.930 121.334 119.300 0.174 0.000 2.792 4274 C HA 0.555 5.015 4.460 0.001 0.000 0.306 4274 C C 0.131 175.245 174.990 0.208 0.000 1.462 4274 C CA 0.004 59.075 59.018 0.088 0.000 1.640 4274 C CB -1.886 25.859 27.740 0.009 0.000 2.434 4274 C HN 0.636 nan 8.230 nan 0.000 0.538 4275 T N 0.537 115.285 114.554 0.324 0.000 2.905 4275 T HA 0.896 5.247 4.350 0.001 0.000 0.283 4275 T C -0.730 174.306 174.700 0.560 0.000 1.031 4275 T CA -0.269 62.067 62.100 0.392 0.000 1.002 4275 T CB 1.538 70.665 68.868 0.431 0.000 1.200 4275 T HN 0.960 nan 8.240 nan 0.000 0.560 4276 F N -0.408 119.722 119.950 0.301 0.000 3.031 4276 F HA 0.561 5.089 4.527 0.002 0.000 0.326 4276 F C -2.106 173.822 175.800 0.214 0.000 1.143 4276 F CA -1.272 56.883 58.000 0.260 0.000 0.871 4276 F CB 0.909 40.118 39.000 0.348 0.000 1.377 4276 F HN 0.617 nan 8.300 nan 0.000 0.462 4277 N N 1.271 119.990 118.700 0.032 0.000 2.295 4277 N HA 0.211 4.952 4.740 0.001 0.000 0.293 4277 N C -0.629 174.850 175.510 -0.052 0.000 1.040 4277 N CA -0.215 52.733 53.050 -0.170 0.000 0.840 4277 N CB 2.126 40.527 38.487 -0.143 0.000 1.468 4277 N HN 0.921 nan 8.380 nan 0.000 0.478 4278 D N 2.012 122.340 120.400 -0.120 0.000 2.084 4278 D HA -0.115 4.526 4.640 0.001 0.000 0.196 4278 D C 0.640 176.950 176.300 0.017 0.000 0.985 4278 D CA 1.450 55.496 54.000 0.077 0.000 0.826 4278 D CB 0.255 41.057 40.800 0.004 0.000 0.978 4278 D HN 0.592 nan 8.370 nan 0.000 0.456 4279 D N -0.046 120.337 120.400 -0.028 0.000 2.220 4279 D HA -0.188 4.453 4.640 0.001 0.000 0.198 4279 D C 2.077 178.324 176.300 -0.088 0.000 1.001 4279 D CA 0.915 54.894 54.000 -0.034 0.000 0.875 4279 D CB -0.141 40.635 40.800 -0.039 0.000 0.921 4279 D HN 0.438 nan 8.370 nan 0.000 0.454 4280 I N -0.489 119.981 120.570 -0.167 0.000 2.681 4280 I HA -0.093 4.078 4.170 0.001 0.000 0.247 4280 I C 2.257 178.241 176.117 -0.223 0.000 1.091 4280 I CA 0.308 61.460 61.300 -0.247 0.000 1.442 4280 I CB -0.135 37.583 38.000 -0.469 0.000 1.219 4280 I HN -0.188 nan 8.210 nan 0.000 0.451 4281 Q N 0.913 120.534 119.800 -0.298 0.000 2.163 4281 Q HA 0.016 4.357 4.340 0.001 0.000 0.198 4281 Q C 2.176 177.822 176.000 -0.589 0.000 0.954 4281 Q CA 1.351 56.731 55.803 -0.706 0.000 0.851 4281 Q CB -0.183 27.744 28.738 -1.352 0.000 0.928 4281 Q HN 0.567 nan 8.270 nan 0.000 0.459 4282 G N 0.138 108.848 108.800 -0.150 0.000 2.524 4282 G HA2 -0.277 3.684 3.960 0.001 0.000 0.215 4282 G HA3 -0.277 3.684 3.960 0.001 0.000 0.215 4282 G C 1.351 176.297 174.900 0.076 0.000 1.239 4282 G CA 1.386 46.553 45.100 0.111 0.000 0.798 4282 G HN 0.251 nan 8.290 nan 0.000 0.557 4283 T N 1.847 116.437 114.554 0.061 0.000 2.594 4283 T HA -0.262 4.089 4.350 0.001 0.000 0.266 4283 T C 2.719 177.454 174.700 0.059 0.000 1.070 4283 T CA 2.653 64.790 62.100 0.062 0.000 1.166 4283 T CB -0.797 68.091 68.868 0.033 0.000 0.862 4283 T HN 0.485 nan 8.240 nan 0.000 0.436 4284 A N 1.682 124.511 122.820 0.015 0.000 1.870 4284 A HA -0.125 4.196 4.320 0.001 0.000 0.219 4284 A C 2.698 180.335 177.584 0.088 0.000 1.224 4284 A CA 2.991 55.053 52.037 0.040 0.000 0.650 4284 A CB -1.532 17.457 19.000 -0.018 0.000 0.836 4284 A HN 0.645 nan 8.150 nan 0.000 0.454 4285 A N -0.697 122.171 122.820 0.080 0.000 1.903 4285 A HA -0.116 4.205 4.320 0.001 0.000 0.219 4285 A C 2.284 179.953 177.584 0.142 0.000 1.191 4285 A CA 2.798 54.913 52.037 0.129 0.000 0.638 4285 A CB -1.455 17.649 19.000 0.173 0.000 0.823 4285 A HN 0.897 nan 8.150 nan 0.000 0.451 4286 V N -0.430 119.558 119.914 0.123 0.000 2.231 4286 V HA -0.294 3.827 4.120 0.001 0.000 0.248 4286 V C 2.916 179.144 176.094 0.223 0.000 1.054 4286 V CA 2.231 64.587 62.300 0.094 0.000 1.015 4286 V CB -1.956 29.866 31.823 -0.002 0.000 0.638 4286 V HN 0.651 nan 8.190 nan 0.000 0.444 4287 A N 0.501 123.458 122.820 0.228 0.000 1.869 4287 A HA -0.280 4.041 4.320 0.001 0.000 0.218 4287 A C 2.246 180.024 177.584 0.323 0.000 1.203 4287 A CA 2.603 54.844 52.037 0.339 0.000 0.638 4287 A CB -0.914 18.253 19.000 0.279 0.000 0.831 4287 A HN 0.466 nan 8.150 nan 0.000 0.450 4288 L N -0.370 120.981 121.223 0.212 0.000 1.997 4288 L HA -0.242 4.099 4.340 0.001 0.000 0.216 4288 L C 2.884 179.840 176.870 0.144 0.000 1.074 4288 L CA 2.580 57.510 54.840 0.150 0.000 0.763 4288 L CB -0.865 41.269 42.059 0.124 0.000 0.890 4288 L HN 0.445 nan 8.230 nan 0.000 0.434 4289 A N -0.940 121.987 122.820 0.178 0.000 1.958 4289 A HA -0.211 4.110 4.320 0.001 0.000 0.221 4289 A C 2.282 179.879 177.584 0.021 0.000 1.178 4289 A CA 1.997 54.117 52.037 0.139 0.000 0.642 4289 A CB -1.587 17.566 19.000 0.255 0.000 0.816 4289 A HN 0.589 nan 8.150 nan 0.000 0.453 4290 G N -0.020 108.888 108.800 0.181 0.000 2.524 4290 G HA2 -0.149 3.811 3.960 0.001 0.000 0.215 4290 G HA3 -0.149 3.811 3.960 0.001 0.000 0.215 4290 G C 1.509 176.508 174.900 0.164 0.000 1.239 4290 G CA 0.991 46.142 45.100 0.085 0.000 0.798 4290 G HN 0.439 nan 8.290 nan 0.000 0.557 4291 L N 0.280 121.584 121.223 0.134 0.000 2.021 4291 L HA -0.149 4.192 4.340 0.001 0.000 0.215 4291 L C 2.982 179.816 176.870 -0.060 0.000 1.074 4291 L CA 0.862 55.643 54.840 -0.097 0.000 0.760 4291 L CB -0.959 41.003 42.059 -0.161 0.000 0.889 4291 L HN 0.151 nan 8.230 nan 0.000 0.433 4292 L N 0.175 121.385 121.223 -0.022 0.000 1.997 4292 L HA -0.286 4.055 4.340 0.001 0.000 0.216 4292 L C 3.000 179.849 176.870 -0.035 0.000 1.074 4292 L CA 2.094 56.923 54.840 -0.018 0.000 0.763 4292 L CB -1.179 40.881 42.059 0.003 0.000 0.890 4292 L HN 0.345 nan 8.230 nan 0.000 0.434 4293 A N -0.247 122.533 122.820 -0.066 0.000 1.917 4293 A HA -0.202 4.119 4.320 0.001 0.000 0.219 4293 A C 2.518 180.068 177.584 -0.056 0.000 1.182 4293 A CA 2.061 54.044 52.037 -0.090 0.000 0.633 4293 A CB -0.648 18.234 19.000 -0.196 0.000 0.819 4293 A HN 0.477 nan 8.150 nan 0.000 0.448 4294 A N -0.853 121.944 122.820 -0.038 0.000 1.829 4294 A HA -0.260 4.061 4.320 0.001 0.000 0.216 4294 A C 2.113 179.686 177.584 -0.019 0.000 1.207 4294 A CA 2.321 54.346 52.037 -0.019 0.000 0.622 4294 A CB -1.003 17.980 19.000 -0.028 0.000 0.846 4294 A HN 0.562 nan 8.150 nan 0.000 0.447 4295 Q N -0.207 119.574 119.800 -0.030 0.000 2.224 4295 Q HA -0.300 4.040 4.340 0.001 0.000 0.213 4295 Q C 1.880 177.891 176.000 0.018 0.000 0.998 4295 Q CA 2.671 58.480 55.803 0.010 0.000 0.895 4295 Q CB -0.391 28.357 28.738 0.016 0.000 0.926 4295 Q HN 0.639 nan 8.270 nan 0.000 0.417 4296 K N -1.074 119.326 120.400 0.001 0.000 2.286 4296 K HA -0.155 4.166 4.320 0.001 0.000 0.203 4296 K C 1.626 178.228 176.600 0.003 0.000 1.045 4296 K CA 1.432 57.720 56.287 0.001 0.000 0.935 4296 K CB -0.061 32.432 32.500 -0.013 0.000 0.737 4296 K HN 0.334 nan 8.250 nan 0.000 0.460 4297 V N -2.156 117.759 119.914 0.002 0.000 3.455 4297 V HA 0.071 4.192 4.120 0.001 0.000 0.250 4297 V C 1.470 177.570 176.094 0.010 0.000 1.230 4297 V CA 0.060 62.362 62.300 0.002 0.000 1.105 4297 V CB -0.019 31.800 31.823 -0.008 0.000 0.850 4297 V HN 0.042 nan 8.190 nan 0.000 0.461 4298 I N 1.577 122.158 120.570 0.019 0.000 2.235 4298 I HA 0.144 4.315 4.170 0.001 0.000 0.241 4298 I C 1.368 177.510 176.117 0.041 0.000 1.085 4298 I CA 1.502 62.821 61.300 0.032 0.000 1.378 4298 I CB -1.292 36.738 38.000 0.049 0.000 1.076 4298 I HN 0.584 nan 8.210 nan 0.000 0.415 4299 S N 1.188 116.921 115.700 0.055 0.000 3.791 4299 S HA -0.179 4.292 4.470 0.001 0.000 0.393 4299 S C 0.315 174.942 174.600 0.045 0.000 0.936 4299 S CA 0.279 58.509 58.200 0.050 0.000 1.234 4299 S CB -1.711 61.506 63.200 0.027 0.000 0.891 4299 S HN 0.456 nan 8.310 nan 0.000 0.519 4300 K N 1.340 121.793 120.400 0.087 0.000 2.281 4300 K HA 0.316 4.637 4.320 0.001 0.000 0.272 4300 K C -2.731 173.769 176.600 -0.167 0.000 1.048 4300 K CA -2.522 53.748 56.287 -0.028 0.000 0.898 4300 K CB 0.789 33.296 32.500 0.012 0.000 1.128 4300 K HN -0.031 nan 8.250 nan 0.000 0.460 4301 P HA -0.096 nan 4.420 nan 0.000 0.237 4301 P C 0.437 177.611 177.300 -0.210 0.000 1.149 4301 P CA 0.457 63.487 63.100 -0.118 0.000 1.254 4301 P CB -0.240 31.412 31.700 -0.080 0.000 1.382 4302 I N 0.842 121.321 120.570 -0.151 0.000 3.128 4302 I HA -0.524 3.647 4.170 0.001 0.000 0.208 4302 I C 2.389 178.452 176.117 -0.090 0.000 0.807 4302 I CA 2.191 63.471 61.300 -0.034 0.000 1.159 4302 I CB -1.309 36.759 38.000 0.113 0.000 0.912 4302 I HN 0.272 nan 8.210 nan 0.000 0.348 4303 S N -0.235 115.427 115.700 -0.063 0.000 2.378 4303 S HA -0.310 4.160 4.470 0.001 0.000 0.229 4303 S C 1.700 176.272 174.600 -0.046 0.000 1.052 4303 S CA 2.317 60.501 58.200 -0.026 0.000 1.084 4303 S CB -0.377 62.809 63.200 -0.023 0.000 0.950 4303 S HN 0.670 nan 8.310 nan 0.000 0.440 4304 E N 0.419 120.536 120.200 -0.138 0.000 2.085 4304 E HA -0.108 4.243 4.350 0.001 0.000 0.194 4304 E C 0.635 177.207 176.600 -0.047 0.000 0.994 4304 E CA 1.073 57.406 56.400 -0.112 0.000 0.801 4304 E CB -0.755 28.854 29.700 -0.152 0.000 0.743 4304 E HN 0.710 nan 8.360 nan 0.000 0.453 4305 H N 0.859 119.946 119.070 0.029 0.000 3.135 4305 H HA -0.001 4.556 4.556 0.001 0.000 0.345 4305 H C 0.044 175.406 175.328 0.056 0.000 1.112 4305 H CA 0.782 56.847 56.048 0.030 0.000 1.349 4305 H CB 0.319 30.102 29.762 0.034 0.000 1.262 4305 H HN -0.010 nan 8.280 nan 0.000 0.603 4306 K N 2.063 122.579 120.400 0.192 0.000 2.729 4306 K HA 0.257 4.577 4.320 0.001 0.000 0.269 4306 K C -1.710 174.954 176.600 0.107 0.000 1.065 4306 K CA -0.347 56.031 56.287 0.152 0.000 1.000 4306 K CB 0.785 33.322 32.500 0.063 0.000 1.283 4306 K HN 0.377 nan 8.250 nan 0.000 0.491 4307 I N 4.365 125.039 120.570 0.173 0.000 2.331 4307 I HA 0.268 4.439 4.170 0.001 0.000 0.292 4307 I C -0.641 175.589 176.117 0.189 0.000 0.998 4307 I CA -0.744 60.617 61.300 0.101 0.000 1.267 4307 I CB 1.220 39.277 38.000 0.096 0.000 1.386 4307 I HN 0.408 nan 8.210 nan 0.000 0.476 4308 L N 7.852 129.115 121.223 0.066 0.000 2.346 4308 L HA 0.609 4.950 4.340 0.001 0.000 0.276 4308 L C -1.367 175.584 176.870 0.136 0.000 1.006 4308 L CA -0.140 54.818 54.840 0.197 0.000 0.817 4308 L CB 1.116 43.234 42.059 0.098 0.000 1.272 4308 L HN 0.268 nan 8.230 nan 0.000 0.421 4309 F N 4.298 124.436 119.950 0.312 0.000 2.458 4309 F HA 0.386 4.914 4.527 0.002 0.000 0.330 4309 F C 0.611 176.628 175.800 0.360 0.000 1.082 4309 F CA -0.447 57.718 58.000 0.276 0.000 0.995 4309 F CB 1.750 40.848 39.000 0.164 0.000 1.170 4309 F HN 0.409 nan 8.300 nan 0.000 0.478 4310 L N 1.975 123.443 121.223 0.409 0.000 2.628 4310 L HA 0.505 4.846 4.340 0.001 0.000 0.229 4310 L C 0.242 177.270 176.870 0.264 0.000 1.137 4310 L CA 0.398 55.404 54.840 0.276 0.000 0.909 4310 L CB -0.647 41.436 42.059 0.041 0.000 1.137 4310 L HN 0.532 nan 8.230 nan 0.000 0.470 4311 G N -1.651 107.322 108.800 0.289 0.000 2.718 4311 G HA2 0.587 4.548 3.960 0.001 0.000 0.295 4311 G HA3 0.587 4.548 3.960 0.001 0.000 0.295 4311 G C -1.243 173.730 174.900 0.121 0.000 1.421 4311 G CA -0.072 45.128 45.100 0.166 0.000 0.902 4311 G HN 0.134 nan 8.290 nan 0.000 0.501 4312 A N 0.456 123.302 122.820 0.042 0.000 3.105 4312 A HA 0.780 5.101 4.320 0.001 0.000 0.297 4312 A C 0.446 177.994 177.584 -0.060 0.000 0.977 4312 A CA 0.179 52.194 52.037 -0.037 0.000 1.020 4312 A CB 0.076 19.074 19.000 -0.003 0.000 1.098 4312 A HN 1.656 nan 8.150 nan 0.000 0.497 4313 G N -0.803 107.968 108.800 -0.048 0.000 2.662 4313 G HA2 0.505 4.465 3.960 0.001 0.000 0.302 4313 G HA3 0.505 4.465 3.960 0.001 0.000 0.302 4313 G C 0.108 175.005 174.900 -0.004 0.000 1.389 4313 G CA 0.392 45.473 45.100 -0.031 0.000 0.998 4313 G HN 0.528 nan 8.290 nan 0.000 0.502 4314 E N 1.304 121.535 120.200 0.051 0.000 3.858 4314 E HA -0.459 3.892 4.350 0.001 0.000 0.304 4314 E C 2.293 178.940 176.600 0.079 0.000 1.347 4314 E CA 3.628 60.139 56.400 0.184 0.000 1.913 4314 E CB -1.241 28.534 29.700 0.126 0.000 1.712 4314 E HN 1.309 nan 8.360 nan 0.000 0.299 4315 A N 0.817 123.654 122.820 0.029 0.000 1.896 4315 A HA -0.175 4.146 4.320 0.001 0.000 0.220 4315 A C 2.529 180.091 177.584 -0.037 0.000 1.206 4315 A CA 4.035 56.080 52.037 0.014 0.000 0.647 4315 A CB -1.407 17.619 19.000 0.044 0.000 0.828 4315 A HN 0.997 nan 8.150 nan 0.000 0.455 4316 A N -1.035 121.718 122.820 -0.113 0.000 1.933 4316 A HA 0.043 4.364 4.320 0.001 0.000 0.218 4316 A C 2.016 179.223 177.584 -0.628 0.000 1.175 4316 A CA 1.714 53.496 52.037 -0.426 0.000 0.628 4316 A CB -0.524 18.219 19.000 -0.428 0.000 0.814 4316 A HN 0.451 nan 8.150 nan 0.000 0.444 4317 L N -0.277 120.708 121.223 -0.398 0.000 2.156 4317 L HA 0.053 4.394 4.340 0.001 0.000 0.208 4317 L C 2.691 179.442 176.870 -0.199 0.000 1.095 4317 L CA 1.490 56.092 54.840 -0.397 0.000 0.770 4317 L CB -1.059 40.826 42.059 -0.289 0.000 0.914 4317 L HN 0.362 nan 8.230 nan 0.000 0.439 4318 G N 0.093 108.850 108.800 -0.072 0.000 2.434 4318 G HA2 -0.189 3.772 3.960 0.001 0.000 0.214 4318 G HA3 -0.189 3.772 3.960 0.001 0.000 0.214 4318 G C 1.662 176.535 174.900 -0.044 0.000 1.202 4318 G CA 0.885 45.969 45.100 -0.027 0.000 0.788 4318 G HN 0.323 nan 8.290 nan 0.000 0.539 4319 I N 1.739 122.279 120.570 -0.050 0.000 2.179 4319 I HA -0.134 4.037 4.170 0.001 0.000 0.242 4319 I C 3.297 179.428 176.117 0.023 0.000 1.088 4319 I CA 1.020 62.346 61.300 0.043 0.000 1.357 4319 I CB -0.327 37.783 38.000 0.183 0.000 1.051 4319 I HN 0.233 nan 8.210 nan 0.000 0.409 4320 A N 1.340 124.019 122.820 -0.235 0.000 1.869 4320 A HA -0.354 3.966 4.320 0.001 0.000 0.218 4320 A C 2.232 179.857 177.584 0.068 0.000 1.203 4320 A CA 2.589 54.468 52.037 -0.263 0.000 0.638 4320 A CB -1.169 17.180 19.000 -1.085 0.000 0.831 4320 A HN 0.564 nan 8.150 nan 0.000 0.450 4321 N N 0.206 118.946 118.700 0.066 0.000 2.037 4321 N HA -0.198 4.543 4.740 0.001 0.000 0.196 4321 N C 1.689 177.310 175.510 0.185 0.000 1.034 4321 N CA 2.281 55.468 53.050 0.227 0.000 0.861 4321 N CB -0.585 38.015 38.487 0.189 0.000 1.039 4321 N HN 0.364 nan 8.380 nan 0.000 0.427 4322 L N 1.004 122.308 121.223 0.136 0.000 2.013 4322 L HA -0.139 4.202 4.340 0.001 0.000 0.212 4322 L C 2.487 179.443 176.870 0.144 0.000 1.073 4322 L CA 1.208 56.128 54.840 0.134 0.000 0.753 4322 L CB -0.424 41.704 42.059 0.115 0.000 0.890 4322 L HN 0.236 nan 8.230 nan 0.000 0.432 4323 I N -1.514 119.153 120.570 0.161 0.000 2.151 4323 I HA -0.286 3.885 4.170 0.001 0.000 0.243 4323 I C 1.386 177.600 176.117 0.161 0.000 1.080 4323 I CA 0.569 61.965 61.300 0.161 0.000 1.339 4323 I CB -0.611 37.511 38.000 0.204 0.000 1.039 4323 I HN -0.062 nan 8.210 nan 0.000 0.409 4329 E N 0.976 121.218 120.200 0.071 0.000 2.396 4329 E HA -0.219 4.132 4.350 0.001 0.000 0.200 4329 E C 1.133 177.770 176.600 0.061 0.000 1.023 4329 E CA 1.969 58.410 56.400 0.068 0.000 0.857 4329 E CB -0.170 29.576 29.700 0.076 0.000 0.775 4329 E HN 0.665 nan 8.360 nan 0.000 0.525 4330 N N -0.335 118.403 118.700 0.063 0.000 2.412 4330 N HA 0.098 4.839 4.740 0.001 0.000 0.184 4330 N C 1.033 176.573 175.510 0.049 0.000 1.101 4330 N CA 0.984 54.069 53.050 0.059 0.000 0.881 4330 N CB 1.253 39.781 38.487 0.069 0.000 0.969 4330 N HN 0.455 nan 8.380 nan 0.000 0.459 4331 G N -0.484 108.344 108.800 0.046 0.000 2.905 4331 G HA2 -0.172 3.788 3.960 0.001 0.000 0.196 4331 G HA3 -0.172 3.788 3.960 0.001 0.000 0.196 4331 G C 0.067 174.988 174.900 0.034 0.000 1.044 4331 G CA -0.426 44.696 45.100 0.037 0.000 0.778 4331 G HN 0.125 nan 8.290 nan 0.000 0.474 4332 L N 1.976 123.223 121.223 0.041 0.000 2.367 4332 L HA 0.564 4.905 4.340 0.001 0.000 0.215 4332 L C 1.294 178.183 176.870 0.031 0.000 1.197 4332 L CA 1.305 56.167 54.840 0.037 0.000 0.836 4332 L CB 0.577 42.667 42.059 0.051 0.000 1.242 4332 L HN 0.714 nan 8.230 nan 0.000 0.553 4333 S N -2.011 113.703 115.700 0.022 0.000 2.538 4333 S HA 0.303 4.774 4.470 0.001 0.000 0.288 4333 S C 0.533 175.136 174.600 0.004 0.000 1.108 4333 S CA -0.671 57.537 58.200 0.013 0.000 0.971 4333 S CB 1.376 64.576 63.200 0.002 0.000 1.041 4333 S HN 0.646 nan 8.310 nan 0.000 0.483 4334 E N 0.682 120.885 120.200 0.005 0.000 2.245 4334 E HA -0.376 3.975 4.350 0.001 0.000 0.217 4334 E C 1.636 178.206 176.600 -0.050 0.000 1.069 4334 E CA 2.225 58.619 56.400 -0.009 0.000 0.877 4334 E CB -0.088 29.605 29.700 -0.012 0.000 0.757 4334 E HN 0.700 nan 8.360 nan 0.000 0.464 4335 Q N 0.638 120.404 119.800 -0.056 0.000 1.942 4335 Q HA -0.208 4.133 4.340 0.001 0.000 0.203 4335 Q C 1.791 177.735 176.000 -0.093 0.000 0.987 4335 Q CA 2.596 58.344 55.803 -0.091 0.000 0.844 4335 Q CB -0.289 28.403 28.738 -0.077 0.000 0.911 4335 Q HN 0.420 nan 8.270 nan 0.000 0.423 4336 E N 0.194 120.364 120.200 -0.050 0.000 2.058 4336 E HA -0.133 4.218 4.350 0.001 0.000 0.194 4336 E C 1.943 178.550 176.600 0.012 0.000 0.997 4336 E CA 1.365 57.749 56.400 -0.026 0.000 0.801 4336 E CB -0.706 28.993 29.700 -0.001 0.000 0.746 4336 E HN 0.405 nan 8.360 nan 0.000 0.450 4337 A N 1.935 124.771 122.820 0.027 0.000 1.892 4337 A HA -0.305 4.016 4.320 0.001 0.000 0.218 4337 A C 2.273 179.908 177.584 0.085 0.000 1.188 4337 A CA 2.080 54.161 52.037 0.072 0.000 0.631 4337 A CB -0.827 18.216 19.000 0.073 0.000 0.822 4337 A HN 0.468 nan 8.150 nan 0.000 0.447 4338 Q N -1.525 118.271 119.800 -0.006 0.000 2.444 4338 Q HA 0.081 4.422 4.340 0.001 0.000 0.206 4338 Q C 1.051 177.034 176.000 -0.027 0.000 0.948 4338 Q CA 0.672 56.412 55.803 -0.105 0.000 0.946 4338 Q CB 0.024 28.527 28.738 -0.393 0.000 1.027 4338 Q HN 0.467 nan 8.270 nan 0.000 0.513 4339 K N 0.779 121.182 120.400 0.004 0.000 2.374 4339 K HA 0.115 4.436 4.320 0.001 0.000 0.196 4339 K C 0.510 177.300 176.600 0.317 0.000 1.023 4339 K CA 0.171 56.422 56.287 -0.061 0.000 1.103 4339 K CB 0.555 32.920 32.500 -0.226 0.000 0.848 4339 K HN 0.214 nan 8.250 nan 0.000 0.528 4340 K N 0.334 120.925 120.400 0.319 0.000 2.358 4340 K HA 0.274 4.595 4.320 0.001 0.000 0.197 4340 K C 0.188 177.072 176.600 0.472 0.000 1.025 4340 K CA 0.150 56.668 56.287 0.385 0.000 1.104 4340 K CB 0.774 33.432 32.500 0.264 0.000 0.855 4340 K HN -0.020 nan 8.250 nan 0.000 0.531 4341 I N 0.403 121.230 120.570 0.429 0.000 2.465 4341 I HA 0.389 4.560 4.170 0.001 0.000 0.291 4341 I C -1.009 175.254 176.117 0.243 0.000 1.014 4341 I CA -1.021 60.562 61.300 0.471 0.000 1.093 4341 I CB 1.129 39.468 38.000 0.566 0.000 1.267 4341 I HN -0.072 nan 8.210 nan 0.000 0.431 4345 D N 2.491 122.888 120.400 -0.006 0.000 2.232 4345 D HA -0.084 4.557 4.640 0.001 0.000 0.242 4345 D C 1.294 177.437 176.300 -0.262 0.000 1.330 4345 D CA 0.297 54.256 54.000 -0.067 0.000 0.954 4345 D CB 0.491 41.290 40.800 -0.001 0.000 1.202 4345 D HN 0.535 nan 8.370 nan 0.000 0.530 4346 K N -0.697 119.556 120.400 -0.245 0.000 2.362 4346 K HA -0.171 4.150 4.320 0.001 0.000 0.200 4346 K C 0.121 176.433 176.600 -0.480 0.000 1.046 4346 K CA 0.580 56.640 56.287 -0.378 0.000 0.952 4346 K CB -0.330 31.887 32.500 -0.472 0.000 0.753 4346 K HN 0.514 nan 8.250 nan 0.000 0.466 4347 Y N 1.442 121.632 120.300 -0.184 0.000 2.850 4347 Y HA 0.271 4.822 4.550 0.001 0.000 0.360 4347 Y C 0.874 176.630 175.900 -0.239 0.000 1.174 4347 Y CA -0.067 57.939 58.100 -0.157 0.000 1.373 4347 Y CB 0.659 39.063 38.460 -0.093 0.000 1.487 4347 Y HN 0.331 nan 8.280 nan 0.000 0.553 4348 G N 0.811 109.423 108.800 -0.314 0.000 2.740 4348 G HA2 -0.328 3.633 3.960 0.001 0.000 0.250 4348 G HA3 -0.328 3.633 3.960 0.001 0.000 0.250 4348 G C -0.397 174.154 174.900 -0.581 0.000 1.358 4348 G CA -0.319 44.511 45.100 -0.450 0.000 0.897 4348 G HN 0.643 nan 8.290 nan 0.000 0.567 4349 L N -0.980 120.213 121.223 -0.050 0.000 2.464 4349 L HA 0.565 4.905 4.340 0.001 0.000 0.264 4349 L C 0.620 177.606 176.870 0.193 0.000 1.199 4349 L CA -1.044 53.999 54.840 0.338 0.000 0.818 4349 L CB 0.314 42.721 42.059 0.579 0.000 1.102 4349 L HN 0.559 nan 8.230 nan 0.000 0.473 4350 L N 5.312 126.677 121.223 0.235 0.000 2.466 4350 L HA 0.315 4.655 4.340 0.001 0.000 0.248 4350 L C -0.048 176.914 176.870 0.153 0.000 1.240 4350 L CA 0.211 55.144 54.840 0.154 0.000 1.180 4350 L CB 0.088 42.220 42.059 0.122 0.000 1.413 4350 L HN 0.426 nan 8.230 nan 0.000 0.406 4351 V N 2.193 122.208 119.914 0.167 0.000 2.837 4351 V HA 0.292 4.413 4.120 0.001 0.000 0.310 4351 V C 0.783 176.931 176.094 0.090 0.000 1.059 4351 V CA -1.087 61.311 62.300 0.164 0.000 1.004 4351 V CB 2.114 34.071 31.823 0.225 0.000 1.045 4351 V HN 0.473 nan 8.190 nan 0.000 0.465 4352 K N 2.341 122.784 120.400 0.072 0.000 2.466 4352 K HA 0.127 4.448 4.320 0.001 0.000 0.278 4352 K C 1.158 177.778 176.600 0.033 0.000 1.048 4352 K CA 1.080 57.389 56.287 0.036 0.000 1.088 4352 K CB -0.100 32.414 32.500 0.025 0.000 0.884 4352 K HN 1.148 nan 8.250 nan 0.000 0.478 4353 G N 2.989 111.798 108.800 0.014 0.000 2.184 4353 G HA2 -0.374 3.587 3.960 0.001 0.000 0.264 4353 G HA3 -0.374 3.587 3.960 0.001 0.000 0.264 4353 G C 0.230 175.135 174.900 0.008 0.000 0.975 4353 G CA 0.655 45.758 45.100 0.006 0.000 0.642 4353 G HN 0.776 nan 8.290 nan 0.000 0.536 4354 R N -0.282 120.231 120.500 0.021 0.000 2.777 4354 R HA 0.235 4.576 4.340 0.001 0.000 0.268 4354 R C 1.389 177.683 176.300 -0.010 0.000 0.979 4354 R CA 0.856 56.968 56.100 0.020 0.000 1.117 4354 R CB 0.278 30.599 30.300 0.035 0.000 0.985 4354 R HN 0.107 nan 8.270 nan 0.000 0.442 4355 K N 0.736 121.128 120.400 -0.013 0.000 2.063 4355 K HA -0.094 4.227 4.320 0.001 0.000 0.208 4355 K C 0.798 177.343 176.600 -0.091 0.000 1.048 4355 K CA 2.029 58.292 56.287 -0.039 0.000 0.928 4355 K CB -0.206 32.280 32.500 -0.025 0.000 0.713 4355 K HN 0.682 nan 8.250 nan 0.000 0.442 4356 A N 0.604 123.347 122.820 -0.128 0.000 2.257 4356 A HA 0.348 4.669 4.320 0.001 0.000 0.289 4356 A C -0.170 177.306 177.584 -0.181 0.000 1.095 4356 A CA -0.611 51.271 52.037 -0.258 0.000 0.836 4356 A CB 0.367 19.084 19.000 -0.471 0.000 1.111 4356 A HN -0.027 nan 8.150 nan 0.000 0.497 4357 K N -0.985 119.288 120.400 -0.213 0.000 2.234 4357 K HA 0.449 4.769 4.320 0.001 0.000 0.251 4357 K C -0.976 175.573 176.600 -0.086 0.000 1.011 4357 K CA 0.355 56.563 56.287 -0.132 0.000 0.889 4357 K CB -0.074 32.348 32.500 -0.131 0.000 1.011 4357 K HN 0.438 nan 8.250 nan 0.000 0.505 4358 I N 1.167 121.699 120.570 -0.062 0.000 2.590 4358 I HA 0.049 4.220 4.170 0.001 0.000 0.283 4358 I C -0.809 175.280 176.117 -0.047 0.000 1.154 4358 I CA -0.896 60.382 61.300 -0.036 0.000 1.067 4358 I CB 1.561 39.549 38.000 -0.021 0.000 1.243 4358 I HN 0.550 nan 8.210 nan 0.000 0.451 4359 D N 4.277 124.648 120.400 -0.048 0.000 2.399 4359 D HA 0.075 4.716 4.640 0.001 0.000 0.241 4359 D C 1.014 177.281 176.300 -0.054 0.000 1.133 4359 D CA 0.125 54.086 54.000 -0.065 0.000 0.890 4359 D CB 1.477 42.231 40.800 -0.077 0.000 1.201 4359 D HN 0.502 nan 8.370 nan 0.000 0.432 4360 S N 2.398 118.040 115.700 -0.095 0.000 2.392 4360 S HA -0.272 4.199 4.470 0.001 0.000 0.232 4360 S C 1.847 176.365 174.600 -0.136 0.000 1.041 4360 S CA 1.196 59.312 58.200 -0.139 0.000 1.026 4360 S CB -0.805 62.263 63.200 -0.219 0.000 0.845 4360 S HN 0.661 nan 8.310 nan 0.000 0.465 4361 Y N 2.193 122.402 120.300 -0.151 0.000 2.314 4361 Y HA -0.057 4.494 4.550 0.001 0.000 0.293 4361 Y C 2.851 178.728 175.900 -0.038 0.000 1.129 4361 Y CA 1.049 59.060 58.100 -0.148 0.000 1.201 4361 Y CB -0.222 38.014 38.460 -0.373 0.000 0.999 4361 Y HN 0.342 nan 8.280 nan 0.000 0.541 4362 Q N -0.331 119.526 119.800 0.095 0.000 2.187 4362 Q HA -0.157 4.184 4.340 0.001 0.000 0.199 4362 Q C 1.670 177.763 176.000 0.155 0.000 0.957 4362 Q CA 0.982 56.847 55.803 0.103 0.000 0.857 4362 Q CB -0.093 28.658 28.738 0.021 0.000 0.929 4362 Q HN 0.441 nan 8.270 nan 0.000 0.453 4363 E N 1.136 121.375 120.200 0.065 0.000 2.063 4363 E HA -0.237 4.114 4.350 0.001 0.000 0.221 4363 E C -0.957 175.648 176.600 0.009 0.000 1.052 4363 E CA 2.330 58.741 56.400 0.018 0.000 0.891 4363 E CB -1.078 28.603 29.700 -0.033 0.000 0.792 4363 E HN 0.214 nan 8.360 nan 0.000 0.482 4364 P HA -0.201 nan 4.420 nan 0.000 0.219 4364 P C 0.596 177.664 177.300 -0.387 0.000 1.151 4364 P CA 1.512 64.458 63.100 -0.257 0.000 0.850 4364 P CB -0.076 31.401 31.700 -0.371 0.000 0.784 4365 F N -2.422 117.509 119.950 -0.032 0.000 2.749 4365 F HA 0.099 4.627 4.527 0.001 0.000 0.300 4365 F C 0.907 176.533 175.800 -0.290 0.000 1.103 4365 F CA 0.334 58.233 58.000 -0.168 0.000 1.342 4365 F CB -0.955 37.954 39.000 -0.152 0.000 1.098 4365 F HN -0.300 nan 8.300 nan 0.000 0.586 4366 T N 0.954 115.516 114.554 0.014 0.000 3.455 4366 T HA 0.109 4.460 4.350 0.001 0.000 0.286 4366 T C -0.222 174.474 174.700 -0.007 0.000 1.157 4366 T CA -0.260 61.830 62.100 -0.016 0.000 1.090 4366 T CB -0.822 68.056 68.868 0.015 0.000 1.112 4366 T HN -0.030 nan 8.240 nan 0.000 0.779 4367 H N 1.601 120.429 119.070 -0.403 0.000 2.690 4367 H HA 0.266 4.823 4.556 0.001 0.000 0.365 4367 H C 0.793 176.004 175.328 -0.195 0.000 1.142 4367 H CA -1.021 54.728 56.048 -0.499 0.000 1.417 4367 H CB 0.371 29.388 29.762 -1.242 0.000 1.446 4367 H HN 0.486 nan 8.280 nan 0.000 0.599 4368 S N 0.841 116.548 115.700 0.011 0.000 2.525 4368 S HA 0.281 4.752 4.470 0.001 0.000 0.285 4368 S C 0.529 175.232 174.600 0.172 0.000 1.283 4368 S CA -0.495 57.745 58.200 0.066 0.000 1.072 4368 S CB 0.206 63.422 63.200 0.026 0.000 0.867 4368 S HN 0.831 nan 8.310 nan 0.000 0.492 4369 A N 5.320 128.235 122.820 0.159 0.000 2.589 4369 A HA 0.208 4.529 4.320 0.001 0.000 0.259 4369 A C -0.900 176.796 177.584 0.188 0.000 1.000 4369 A CA -0.470 51.678 52.037 0.185 0.000 0.847 4369 A CB -0.863 18.207 19.000 0.117 0.000 0.885 4369 A HN 0.717 nan 8.150 nan 0.000 0.508 4370 P HA 0.159 nan 4.420 nan 0.000 0.307 4370 P C 0.910 178.260 177.300 0.084 0.000 1.306 4370 P CA -0.295 62.901 63.100 0.159 0.000 0.742 4370 P CB 0.521 32.288 31.700 0.113 0.000 1.349 4371 E N 0.459 120.687 120.200 0.045 0.000 1.992 4371 E HA -0.081 4.270 4.350 0.001 0.000 0.202 4371 E C 0.148 176.763 176.600 0.025 0.000 1.007 4371 E CA 1.449 57.866 56.400 0.028 0.000 0.857 4371 E CB -1.204 28.501 29.700 0.008 0.000 0.796 4371 E HN 0.337 nan 8.360 nan 0.000 0.486 4372 S N -0.182 115.521 115.700 0.005 0.000 2.548 4372 S HA 0.322 4.793 4.470 0.001 0.000 0.277 4372 S C -0.166 174.444 174.600 0.016 0.000 1.315 4372 S CA -0.405 57.797 58.200 0.002 0.000 1.050 4372 S CB 0.567 63.754 63.200 -0.022 0.000 0.918 4372 S HN 0.239 nan 8.310 nan 0.000 0.497 4373 I N 5.618 126.211 120.570 0.038 0.000 2.371 4373 I HA 0.331 4.502 4.170 0.001 0.000 0.282 4373 I C -1.733 174.423 176.117 0.066 0.000 1.031 4373 I CA -2.255 59.088 61.300 0.071 0.000 1.180 4373 I CB 0.881 38.936 38.000 0.092 0.000 1.336 4373 I HN 0.434 nan 8.210 nan 0.000 0.467 4374 P HA 0.166 nan 4.420 nan 0.000 0.274 4374 P C -0.216 177.163 177.300 0.132 0.000 1.264 4374 P CA 0.136 63.261 63.100 0.041 0.000 0.795 4374 P CB 0.835 32.505 31.700 -0.049 0.000 1.064 4375 D N -3.051 117.423 120.400 0.123 0.000 2.538 4375 D HA 0.094 4.735 4.640 0.001 0.000 0.241 4375 D C -0.597 175.854 176.300 0.252 0.000 1.297 4375 D CA -0.046 54.073 54.000 0.199 0.000 0.804 4375 D CB 0.205 41.077 40.800 0.121 0.000 1.122 4375 D HN 0.211 nan 8.370 nan 0.000 0.519 4376 T N 0.332 114.969 114.554 0.138 0.000 2.982 4376 T HA 0.188 4.538 4.350 0.001 0.000 0.321 4376 T C -0.116 174.408 174.700 -0.294 0.000 1.229 4376 T CA -0.560 61.584 62.100 0.073 0.000 1.044 4376 T CB 1.613 70.505 68.868 0.040 0.000 1.184 4376 T HN -0.153 nan 8.240 nan 0.000 0.477 4377 F N 2.807 122.419 119.950 -0.562 0.000 2.043 4377 F HA -0.177 4.351 4.527 0.001 0.000 0.297 4377 F C 2.601 178.132 175.800 -0.448 0.000 1.118 4377 F CA 2.496 60.029 58.000 -0.778 0.000 1.202 4377 F CB 0.049 38.797 39.000 -0.420 0.000 0.965 4377 F HN 0.832 nan 8.300 nan 0.000 0.482 4378 E N 0.202 120.275 120.200 -0.212 0.000 2.147 4378 E HA -0.294 4.057 4.350 0.001 0.000 0.199 4378 E C 1.681 178.104 176.600 -0.295 0.000 1.005 4378 E CA 2.008 58.269 56.400 -0.232 0.000 0.810 4378 E CB -0.519 29.126 29.700 -0.091 0.000 0.736 4378 E HN 0.470 nan 8.360 nan 0.000 0.460 4379 D N 0.648 120.893 120.400 -0.258 0.000 2.096 4379 D HA -0.099 4.542 4.640 0.001 0.000 0.200 4379 D C 1.991 178.102 176.300 -0.314 0.000 0.980 4379 D CA 2.142 56.011 54.000 -0.218 0.000 0.860 4379 D CB -0.905 39.813 40.800 -0.137 0.000 1.005 4379 D HN 0.315 nan 8.370 nan 0.000 0.449 4380 A N 0.753 123.334 122.820 -0.398 0.000 1.923 4380 A HA -0.304 4.016 4.320 0.001 0.000 0.222 4380 A C 2.558 179.840 177.584 -0.504 0.000 1.258 4380 A CA 2.804 54.575 52.037 -0.443 0.000 0.670 4380 A CB -1.263 17.387 19.000 -0.584 0.000 0.834 4380 A HN 0.169 nan 8.150 nan 0.000 0.470 4381 V N 0.775 120.272 119.914 -0.696 0.000 2.242 4381 V HA -0.427 3.694 4.120 0.001 0.000 0.257 4381 V C 2.398 178.263 176.094 -0.380 0.000 1.073 4381 V CA 2.571 64.504 62.300 -0.612 0.000 1.058 4381 V CB -1.003 30.472 31.823 -0.581 0.000 0.664 4381 V HN 0.674 nan 8.190 nan 0.000 0.451 4382 N N -0.251 118.265 118.700 -0.308 0.000 2.080 4382 N HA -0.042 4.698 4.740 0.001 0.000 0.189 4382 N C 1.859 177.244 175.510 -0.209 0.000 1.036 4382 N CA 1.819 54.738 53.050 -0.218 0.000 0.846 4382 N CB -0.272 38.111 38.487 -0.172 0.000 1.015 4382 N HN 0.445 nan 8.380 nan 0.000 0.423 4383 I N 1.123 121.562 120.570 -0.217 0.000 2.315 4383 I HA -0.245 3.926 4.170 0.001 0.000 0.251 4383 I C 1.847 177.814 176.117 -0.249 0.000 1.125 4383 I CA 0.941 62.122 61.300 -0.198 0.000 1.392 4383 I CB -0.120 37.772 38.000 -0.181 0.000 1.065 4383 I HN 0.106 nan 8.210 nan 0.000 0.424 4384 L N 0.145 121.173 121.223 -0.324 0.000 2.121 4384 L HA 0.057 4.398 4.340 0.001 0.000 0.200 4384 L C 0.750 177.445 176.870 -0.292 0.000 1.077 4384 L CA 1.159 55.757 54.840 -0.403 0.000 0.766 4384 L CB -0.940 40.814 42.059 -0.509 0.000 0.931 4384 L HN 0.178 nan 8.230 nan 0.000 0.452 4385 K N -0.665 119.578 120.400 -0.261 0.000 3.647 4385 K HA -0.073 4.247 4.320 0.001 0.000 0.301 4385 K C -2.521 173.983 176.600 -0.160 0.000 1.150 4385 K CA -0.030 56.143 56.287 -0.189 0.000 0.892 4385 K CB -1.233 31.181 32.500 -0.142 0.000 1.381 4385 K HN 0.164 nan 8.250 nan 0.000 0.450 4386 P HA 0.089 nan 4.420 nan 0.000 0.279 4386 P C 0.441 177.697 177.300 -0.074 0.000 1.239 4386 P CA -0.412 62.618 63.100 -0.116 0.000 0.789 4386 P CB 1.898 33.519 31.700 -0.132 0.000 0.933 4387 S N 1.716 117.400 115.700 -0.027 0.000 2.362 4387 S HA 0.018 4.489 4.470 0.001 0.000 0.221 4387 S C 0.552 175.123 174.600 -0.048 0.000 1.032 4387 S CA 0.983 59.180 58.200 -0.004 0.000 0.973 4387 S CB -0.510 62.744 63.200 0.090 0.000 0.849 4387 S HN 0.509 nan 8.310 nan 0.000 0.465 4388 T N 2.095 116.600 114.554 -0.081 0.000 2.823 4388 T HA 0.686 5.037 4.350 0.001 0.000 0.279 4388 T C -1.267 173.354 174.700 -0.132 0.000 0.998 4388 T CA -0.406 61.603 62.100 -0.153 0.000 0.994 4388 T CB 1.588 70.302 68.868 -0.256 0.000 0.960 4388 T HN 0.211 nan 8.240 nan 0.000 0.448 4389 I N 2.860 123.375 120.570 -0.092 0.000 2.545 4389 I HA 0.607 4.778 4.170 0.001 0.000 0.292 4389 I C -1.313 174.870 176.117 0.109 0.000 1.040 4389 I CA -1.339 59.977 61.300 0.027 0.000 1.068 4389 I CB 1.493 39.531 38.000 0.064 0.000 1.251 4389 I HN 0.628 nan 8.210 nan 0.000 0.424 4390 I N 5.782 126.400 120.570 0.080 0.000 2.533 4390 I HA 0.526 4.697 4.170 0.001 0.000 0.290 4390 I C 0.178 176.391 176.117 0.159 0.000 1.056 4390 I CA -0.583 60.749 61.300 0.053 0.000 1.057 4390 I CB 2.149 39.919 38.000 -0.383 0.000 1.240 4390 I HN 0.674 nan 8.210 nan 0.000 0.423 4391 G N 5.250 114.014 108.800 -0.061 0.000 2.428 4391 G HA2 0.555 4.516 3.960 0.001 0.000 0.320 4391 G HA3 0.555 4.516 3.960 0.001 0.000 0.320 4391 G C -0.702 174.145 174.900 -0.088 0.000 1.098 4391 G CA -0.232 44.683 45.100 -0.308 0.000 0.984 4391 G HN 0.376 nan 8.290 nan 0.000 0.444 4392 V N 2.100 122.032 119.914 0.030 0.000 2.763 4392 V HA 0.509 4.630 4.120 0.001 0.000 0.257 4392 V C 0.392 176.523 176.094 0.063 0.000 0.906 4392 V CA 0.214 62.554 62.300 0.067 0.000 0.894 4392 V CB 0.665 32.582 31.823 0.156 0.000 1.052 4392 V HN 0.988 nan 8.190 nan 0.000 0.491 4393 A N 1.551 124.381 122.820 0.016 0.000 2.591 4393 A HA 0.598 4.918 4.320 0.001 0.000 0.204 4393 A C 1.546 179.127 177.584 -0.006 0.000 1.410 4393 A CA 0.601 52.647 52.037 0.015 0.000 1.065 4393 A CB 0.350 19.363 19.000 0.022 0.000 1.362 4393 A HN 1.778 nan 8.150 nan 0.000 0.566 4394 G N -0.207 108.583 108.800 -0.016 0.000 2.341 4394 G HA2 -0.016 3.945 3.960 0.001 0.000 0.292 4394 G HA3 -0.016 3.945 3.960 0.001 0.000 0.292 4394 G C 0.866 175.754 174.900 -0.019 0.000 1.021 4394 G CA 0.877 45.966 45.100 -0.018 0.000 0.905 4394 G HN 1.649 nan 8.290 nan 0.000 0.508 4395 A N -1.093 121.714 122.820 -0.021 0.000 2.348 4395 A HA 0.690 5.011 4.320 0.001 0.000 0.224 4395 A C 2.004 179.584 177.584 -0.007 0.000 1.227 4395 A CA 1.539 53.568 52.037 -0.013 0.000 0.885 4395 A CB 0.064 19.060 19.000 -0.006 0.000 0.933 4395 A HN 2.607 nan 8.150 nan 0.000 0.506 4396 G N -0.168 108.623 108.800 -0.014 0.000 2.472 4396 G HA2 -0.123 3.838 3.960 0.001 0.000 0.205 4396 G HA3 -0.123 3.838 3.960 0.001 0.000 0.205 4396 G C -0.572 174.327 174.900 -0.002 0.000 1.270 4396 G CA -0.681 44.418 45.100 -0.003 0.000 0.974 4396 G HN 0.299 nan 8.290 nan 0.000 0.542 4397 R N 0.665 121.178 120.500 0.021 0.000 3.152 4397 R HA 0.194 4.535 4.340 0.001 0.000 0.209 4397 R C 0.690 177.028 176.300 0.063 0.000 1.649 4397 R CA 0.049 56.172 56.100 0.039 0.000 1.185 4397 R CB -0.642 29.685 30.300 0.046 0.000 1.258 4397 R HN 0.327 nan 8.270 nan 0.000 0.656 4398 L N 0.239 121.509 121.223 0.078 0.000 2.640 4398 L HA 0.212 4.553 4.340 0.001 0.000 0.230 4398 L C 0.602 177.608 176.870 0.227 0.000 1.123 4398 L CA 0.562 55.472 54.840 0.116 0.000 0.900 4398 L CB 0.015 42.119 42.059 0.076 0.000 1.146 4398 L HN 0.326 nan 8.230 nan 0.000 0.484 4399 F N 0.406 120.304 119.950 -0.086 0.000 2.560 4399 F HA 0.160 4.688 4.527 0.001 0.000 0.338 4399 F C 1.325 177.102 175.800 -0.038 0.000 1.201 4399 F CA -0.712 57.242 58.000 -0.076 0.000 1.291 4399 F CB 0.320 39.271 39.000 -0.082 0.000 1.627 4399 F HN -0.107 nan 8.300 nan 0.000 0.588 4400 T N 2.036 116.645 114.554 0.092 0.000 2.903 4400 T HA 0.020 4.370 4.350 0.001 0.000 0.314 4400 T C -0.984 173.718 174.700 0.004 0.000 1.078 4400 T CA -1.335 60.791 62.100 0.044 0.000 1.114 4400 T CB 1.103 69.993 68.868 0.037 0.000 0.987 4400 T HN 0.182 nan 8.240 nan 0.000 0.548 4401 P HA -0.168 nan 4.420 nan 0.000 0.218 4401 P C 0.884 178.164 177.300 -0.033 0.000 1.154 4401 P CA 1.559 64.645 63.100 -0.023 0.000 0.872 4401 P CB 0.027 31.718 31.700 -0.014 0.000 0.790 4402 D N -0.113 120.270 120.400 -0.028 0.000 2.084 4402 D HA -0.095 4.546 4.640 0.001 0.000 0.196 4402 D C 2.248 178.512 176.300 -0.061 0.000 0.985 4402 D CA 0.677 54.654 54.000 -0.039 0.000 0.826 4402 D CB -1.400 39.381 40.800 -0.032 0.000 0.978 4402 D HN 0.018 nan 8.370 nan 0.000 0.456 4403 V N 1.483 121.365 119.914 -0.054 0.000 2.278 4403 V HA -0.275 3.846 4.120 0.001 0.000 0.251 4403 V C 2.528 178.549 176.094 -0.121 0.000 1.062 4403 V CA 1.421 63.673 62.300 -0.080 0.000 1.038 4403 V CB -0.506 31.299 31.823 -0.030 0.000 0.646 4403 V HN 0.162 nan 8.190 nan 0.000 0.447 4404 I N 0.061 120.571 120.570 -0.100 0.000 2.055 4404 I HA -0.287 3.884 4.170 0.001 0.000 0.228 4404 I C 2.800 178.867 176.117 -0.083 0.000 1.050 4404 I CA 2.209 63.450 61.300 -0.099 0.000 1.326 4404 I CB -0.803 37.150 38.000 -0.079 0.000 1.077 4404 I HN 0.337 nan 8.210 nan 0.000 0.392 4405 R N 2.233 122.695 120.500 -0.064 0.000 2.159 4405 R HA -0.199 4.141 4.340 0.001 0.000 0.249 4405 R C 1.488 177.751 176.300 -0.062 0.000 1.136 4405 R CA 1.447 57.516 56.100 -0.052 0.000 0.951 4405 R CB -1.353 28.923 30.300 -0.040 0.000 0.876 4405 R HN 0.349 nan 8.270 nan 0.000 0.440 4409 S N 0.827 116.498 115.700 -0.047 0.000 2.348 4409 S HA 0.009 4.480 4.470 0.001 0.000 0.219 4409 S C 1.769 176.341 174.600 -0.046 0.000 1.033 4409 S CA 1.487 59.661 58.200 -0.043 0.000 0.974 4409 S CB -0.569 62.600 63.200 -0.051 0.000 0.868 4409 S HN 0.514 nan 8.310 nan 0.000 0.459 4410 I N 2.193 122.726 120.570 -0.061 0.000 2.208 4410 I HA -0.150 4.021 4.170 0.001 0.000 0.245 4410 I C 0.594 176.683 176.117 -0.047 0.000 1.097 4410 I CA 0.889 62.151 61.300 -0.063 0.000 1.363 4410 I CB -0.458 37.490 38.000 -0.087 0.000 1.051 4410 I HN 0.231 nan 8.210 nan 0.000 0.413 4411 N N 0.558 119.233 118.700 -0.041 0.000 2.384 4411 N HA 0.145 4.886 4.740 0.001 0.000 0.301 4411 N C 0.487 175.988 175.510 -0.016 0.000 1.133 4411 N CA -0.384 52.651 53.050 -0.025 0.000 0.853 4411 N CB 2.058 40.532 38.487 -0.022 0.000 1.241 4411 N HN -0.039 nan 8.380 nan 0.000 0.502 4412 E N 0.478 120.673 120.200 -0.008 0.000 2.340 4412 E HA 0.103 4.454 4.350 0.001 0.000 0.194 4412 E C -0.290 176.313 176.600 0.004 0.000 0.996 4412 E CA 0.814 57.213 56.400 -0.001 0.000 0.869 4412 E CB 0.438 30.138 29.700 -0.000 0.000 0.835 4412 E HN 0.352 nan 8.360 nan 0.000 0.493 4413 R N 0.847 121.350 120.500 0.005 0.000 2.684 4413 R HA 0.231 4.572 4.340 0.001 0.000 0.252 4413 R C -2.620 173.687 176.300 0.012 0.000 1.628 4413 R CA -1.400 54.706 56.100 0.010 0.000 1.622 4413 R CB 1.286 31.592 30.300 0.010 0.000 1.418 4413 R HN 0.098 nan 8.270 nan 0.000 0.697 4414 P HA 0.114 nan 4.420 nan 0.000 0.272 4414 P C -0.098 177.215 177.300 0.021 0.000 1.240 4414 P CA -0.214 62.887 63.100 0.001 0.000 0.791 4414 P CB 1.102 32.794 31.700 -0.013 0.000 0.978 4415 V N 2.699 122.613 119.914 -0.000 0.000 2.448 4415 V HA 0.424 4.545 4.120 0.001 0.000 0.295 4415 V C 0.240 176.374 176.094 0.066 0.000 1.025 4415 V CA -0.586 61.717 62.300 0.005 0.000 0.859 4415 V CB 1.406 33.130 31.823 -0.165 0.000 0.988 4415 V HN 0.429 nan 8.190 nan 0.000 0.431 4416 I N 1.595 122.338 120.570 0.289 0.000 2.534 4416 I HA 0.630 4.801 4.170 0.001 0.000 0.288 4416 I C -1.943 174.666 176.117 0.821 0.000 1.077 4416 I CA -0.778 60.806 61.300 0.474 0.000 1.051 4416 I CB 1.811 40.061 38.000 0.417 0.000 1.234 4416 I HN 0.365 nan 8.210 nan 0.000 0.425 4417 F N 5.129 125.208 119.950 0.217 0.000 2.513 4417 F HA 0.674 5.202 4.527 0.001 0.000 0.358 4417 F C 0.505 176.265 175.800 -0.067 0.000 1.118 4417 F CA -1.348 56.676 58.000 0.040 0.000 1.037 4417 F CB 1.889 40.887 39.000 -0.002 0.000 1.276 4417 F HN 0.712 nan 8.300 nan 0.000 0.446 4418 A N 4.393 127.227 122.820 0.022 0.000 2.391 4418 A HA 0.533 4.854 4.320 0.001 0.000 0.316 4418 A C 0.419 177.949 177.584 -0.090 0.000 1.381 4418 A CA -0.165 51.781 52.037 -0.151 0.000 0.998 4418 A CB -0.012 18.950 19.000 -0.064 0.000 1.147 4418 A HN 0.601 nan 8.150 nan 0.000 0.545 4419 L N 1.707 122.888 121.223 -0.070 0.000 2.253 4419 L HA 0.101 4.441 4.340 0.001 0.000 0.205 4419 L C 1.470 178.331 176.870 -0.015 0.000 1.078 4419 L CA 0.790 55.615 54.840 -0.024 0.000 0.805 4419 L CB -1.422 40.655 42.059 0.030 0.000 0.963 4419 L HN 0.537 nan 8.230 nan 0.000 0.459 4420 S N 1.686 117.366 115.700 -0.034 0.000 2.643 4420 S HA -0.014 4.457 4.470 0.001 0.000 0.310 4420 S C 0.344 174.939 174.600 -0.008 0.000 1.253 4420 S CA 0.319 58.505 58.200 -0.023 0.000 1.047 4420 S CB -0.166 63.005 63.200 -0.047 0.000 0.767 4420 S HN 0.336 nan 8.310 nan 0.000 0.498 4421 N N 2.440 121.135 118.700 -0.009 0.000 2.405 4421 N HA 0.467 5.208 4.740 0.001 0.000 0.285 4421 N C -2.099 173.398 175.510 -0.021 0.000 1.262 4421 N CA -1.403 51.639 53.050 -0.013 0.000 0.773 4421 N CB 1.335 39.812 38.487 -0.017 0.000 1.490 4421 N HN 0.300 nan 8.380 nan 0.000 0.486 4422 P HA 0.053 nan 4.420 nan 0.000 0.273 4422 P C 0.625 177.910 177.300 -0.024 0.000 1.372 4422 P CA 0.894 63.973 63.100 -0.035 0.000 0.736 4422 P CB -0.121 31.552 31.700 -0.045 0.000 1.539 4423 T N -1.161 113.368 114.554 -0.041 0.000 3.057 4423 T HA 0.209 4.560 4.350 0.001 0.000 0.254 4423 T C 1.763 176.462 174.700 -0.002 0.000 1.094 4423 T CA 0.738 62.811 62.100 -0.044 0.000 1.088 4423 T CB -0.466 68.325 68.868 -0.127 0.000 0.934 4423 T HN 0.338 nan 8.240 nan 0.000 0.497 4424 A N 0.739 123.554 122.820 -0.009 0.000 2.169 4424 A HA 0.138 4.459 4.320 0.001 0.000 0.212 4424 A C 2.029 179.619 177.584 0.009 0.000 1.153 4424 A CA 0.633 52.671 52.037 0.003 0.000 0.756 4424 A CB -0.097 18.898 19.000 -0.008 0.000 0.813 4424 A HN 0.232 nan 8.150 nan 0.000 0.471 4425 Q N -0.634 119.169 119.800 0.005 0.000 2.247 4425 Q HA 0.426 4.767 4.340 0.001 0.000 0.211 4425 Q C 0.615 176.613 176.000 -0.003 0.000 0.861 4425 Q CA 0.472 56.274 55.803 -0.003 0.000 0.949 4425 Q CB 0.158 28.888 28.738 -0.012 0.000 1.115 4425 Q HN 0.513 nan 8.270 nan 0.000 0.507 4426 A N 0.925 123.765 122.820 0.033 0.000 2.553 4426 A HA -0.051 4.270 4.320 0.001 0.000 0.258 4426 A C 0.871 178.450 177.584 -0.008 0.000 1.069 4426 A CA 0.085 52.158 52.037 0.060 0.000 0.767 4426 A CB 0.137 19.270 19.000 0.223 0.000 0.997 4426 A HN 0.220 nan 8.150 nan 0.000 0.512 4427 E N 0.771 120.884 120.200 -0.146 0.000 2.187 4427 E HA -0.143 4.208 4.350 0.001 0.000 0.199 4427 E C 0.887 177.439 176.600 -0.081 0.000 1.004 4427 E CA 1.847 58.099 56.400 -0.246 0.000 0.813 4427 E CB -0.146 29.038 29.700 -0.861 0.000 0.736 4427 E HN 0.913 nan 8.360 nan 0.000 0.468 4428 C N -2.826 116.438 119.300 -0.060 0.000 3.213 4428 C HA 0.739 5.200 4.460 0.001 0.000 0.378 4428 C C -0.930 174.009 174.990 -0.084 0.000 2.095 4428 C CA -0.021 58.973 59.018 -0.039 0.000 1.161 4428 C CB 1.368 29.077 27.740 -0.051 0.000 2.466 4428 C HN 0.251 nan 8.230 nan 0.000 0.426 4429 T N -0.801 113.582 114.554 -0.284 0.000 2.909 4429 T HA 0.647 4.998 4.350 0.001 0.000 0.299 4429 T C 0.841 175.029 174.700 -0.853 0.000 1.073 4429 T CA 0.443 62.220 62.100 -0.538 0.000 0.999 4429 T CB 1.506 70.390 68.868 0.027 0.000 1.098 4429 T HN 2.164 nan 8.240 nan 0.000 0.477 4430 A N 1.634 123.790 122.820 -1.106 0.000 1.986 4430 A HA -0.085 4.236 4.320 0.001 0.000 0.220 4430 A C 2.058 179.447 177.584 -0.324 0.000 1.171 4430 A CA 2.437 54.137 52.037 -0.562 0.000 0.640 4430 A CB -1.155 17.856 19.000 0.018 0.000 0.811 4430 A HN 1.035 nan 8.150 nan 0.000 0.451 4431 E N 0.248 120.371 120.200 -0.129 0.000 1.998 4431 E HA -0.228 4.123 4.350 0.001 0.000 0.196 4431 E C 1.839 178.384 176.600 -0.091 0.000 1.003 4431 E CA 1.697 58.097 56.400 -0.001 0.000 0.829 4431 E CB -0.328 29.403 29.700 0.051 0.000 0.777 4431 E HN 0.710 nan 8.360 nan 0.000 0.460 4432 E N 0.476 120.593 120.200 -0.137 0.000 2.233 4432 E HA -0.279 4.072 4.350 0.001 0.000 0.199 4432 E C 1.953 178.407 176.600 -0.243 0.000 1.004 4432 E CA 0.864 57.178 56.400 -0.143 0.000 0.819 4432 E CB -0.318 29.308 29.700 -0.124 0.000 0.738 4432 E HN 0.388 nan 8.360 nan 0.000 0.478 4433 A N 1.217 123.743 122.820 -0.490 0.000 1.828 4433 A HA -0.175 4.146 4.320 0.001 0.000 0.215 4433 A C 1.974 179.316 177.584 -0.402 0.000 1.203 4433 A CA 1.397 53.019 52.037 -0.692 0.000 0.614 4433 A CB -1.032 17.028 19.000 -1.567 0.000 0.844 4433 A HN 0.311 nan 8.150 nan 0.000 0.445 4434 Y N 0.795 121.031 120.300 -0.107 0.000 2.133 4434 Y HA -0.216 4.335 4.550 0.001 0.000 0.287 4434 Y C 3.257 179.197 175.900 0.066 0.000 1.134 4434 Y CA 1.757 59.887 58.100 0.050 0.000 1.133 4434 Y CB -0.901 37.719 38.460 0.267 0.000 0.987 4434 Y HN 0.534 nan 8.280 nan 0.000 0.502 4435 T N -0.626 114.040 114.554 0.187 0.000 2.624 4435 T HA -0.239 4.112 4.350 0.001 0.000 0.268 4435 T C 1.480 176.219 174.700 0.065 0.000 1.041 4435 T CA 1.484 63.651 62.100 0.112 0.000 1.159 4435 T CB -0.827 68.077 68.868 0.061 0.000 0.863 4435 T HN 0.115 nan 8.240 nan 0.000 0.434 4436 L N 2.637 123.870 121.223 0.016 0.000 2.749 4436 L HA 0.246 4.587 4.340 0.001 0.000 0.245 4436 L C 1.930 178.803 176.870 0.004 0.000 1.156 4436 L CA 1.471 56.307 54.840 -0.006 0.000 0.890 4436 L CB -0.971 41.062 42.059 -0.044 0.000 1.036 4436 L HN 0.848 nan 8.230 nan 0.000 0.441 4437 T N -6.580 108.001 114.554 0.045 0.000 3.407 4437 T HA 0.107 4.458 4.350 0.001 0.000 0.308 4437 T C 0.576 175.336 174.700 0.101 0.000 0.919 4437 T CA 0.025 62.158 62.100 0.055 0.000 0.960 4437 T CB 0.169 69.067 68.868 0.049 0.000 1.193 4437 T HN 0.200 nan 8.240 nan 0.000 0.568 4438 E N 1.149 121.422 120.200 0.123 0.000 3.562 4438 E HA -0.251 4.100 4.350 0.001 0.000 0.298 4438 E C 0.991 177.744 176.600 0.254 0.000 0.830 4438 E CA 1.308 57.797 56.400 0.148 0.000 1.013 4438 E CB -2.249 27.510 29.700 0.098 0.000 1.510 4438 E HN 1.768 nan 8.360 nan 0.000 0.463 4439 G N 0.399 109.365 108.800 0.277 0.000 2.742 4439 G HA2 -0.254 3.707 3.960 0.001 0.000 0.257 4439 G HA3 -0.254 3.707 3.960 0.001 0.000 0.257 4439 G C 0.349 175.259 174.900 0.018 0.000 1.143 4439 G CA 0.296 45.540 45.100 0.241 0.000 1.064 4439 G HN 0.280 nan 8.290 nan 0.000 0.529 4440 R N -1.089 119.440 120.500 0.049 0.000 2.435 4440 R HA 0.210 4.551 4.340 0.001 0.000 0.221 4440 R C 1.952 178.263 176.300 0.018 0.000 0.885 4440 R CA 0.662 56.770 56.100 0.013 0.000 1.018 4440 R CB 0.182 30.499 30.300 0.028 0.000 1.259 4440 R HN 0.877 nan 8.270 nan 0.000 0.597 4441 C N 0.405 119.739 119.300 0.056 0.000 2.500 4441 C HA 0.599 5.060 4.460 0.001 0.000 0.367 4441 C C 0.168 175.234 174.990 0.127 0.000 1.283 4441 C CA -1.241 57.819 59.018 0.069 0.000 2.456 4441 C CB -0.110 27.656 27.740 0.043 0.000 2.457 4441 C HN 0.112 nan 8.230 nan 0.000 0.632 4442 L N 2.356 123.668 121.223 0.149 0.000 2.298 4442 L HA 0.538 4.879 4.340 0.001 0.000 0.284 4442 L C -0.162 176.905 176.870 0.327 0.000 1.013 4442 L CA 0.053 55.014 54.840 0.202 0.000 0.824 4442 L CB 0.772 42.913 42.059 0.136 0.000 1.221 4442 L HN 0.753 nan 8.230 nan 0.000 0.418 4443 F N 3.215 123.231 119.950 0.109 0.000 2.523 4443 F HA 0.909 5.437 4.527 0.001 0.000 0.329 4443 F C -0.336 175.409 175.800 -0.092 0.000 1.061 4443 F CA -1.001 56.987 58.000 -0.021 0.000 0.967 4443 F CB 1.833 40.586 39.000 -0.411 0.000 1.218 4443 F HN 0.496 nan 8.300 nan 0.000 0.480 4444 A N 2.356 124.365 122.820 -1.351 0.000 2.577 4444 A HA 0.635 4.956 4.320 0.001 0.000 0.297 4444 A C -1.557 175.229 177.584 -1.330 0.000 1.060 4444 A CA -0.243 50.996 52.037 -1.329 0.000 0.697 4444 A CB 0.888 18.970 19.000 -1.531 0.000 1.281 4444 A HN 1.110 nan 8.150 nan 0.000 0.402 4445 S N 0.216 115.412 115.700 -0.841 0.000 2.599 4445 S HA 0.717 5.187 4.470 0.001 0.000 0.294 4445 S C 0.707 175.209 174.600 -0.165 0.000 1.094 4445 S CA -0.117 57.847 58.200 -0.392 0.000 0.931 4445 S CB 1.766 64.910 63.200 -0.093 0.000 1.093 4445 S HN 1.836 nan 8.310 nan 0.000 0.488 4446 G N 0.329 109.091 108.800 -0.063 0.000 2.985 4446 G HA2 0.362 4.323 3.960 0.001 0.000 0.209 4446 G HA3 0.362 4.323 3.960 0.001 0.000 0.209 4446 G C 0.056 174.962 174.900 0.009 0.000 1.165 4446 G CA -0.184 44.895 45.100 -0.034 0.000 0.776 4446 G HN 0.644 nan 8.290 nan 0.000 0.541 4447 S N 0.511 116.251 115.700 0.066 0.000 2.638 4447 S HA 0.619 5.089 4.470 0.001 0.000 0.302 4447 S C -2.880 171.761 174.600 0.068 0.000 1.096 4447 S CA -1.147 57.080 58.200 0.045 0.000 0.953 4447 S CB 2.636 65.855 63.200 0.032 0.000 1.107 4447 S HN 0.015 nan 8.310 nan 0.000 0.503 4448 P HA 0.438 nan 4.420 nan 0.000 0.276 4448 P C -1.413 175.781 177.300 -0.178 0.000 1.235 4448 P CA -0.083 62.994 63.100 -0.038 0.000 0.772 4448 P CB 0.102 31.763 31.700 -0.064 0.000 0.871 4449 F N 0.948 120.939 119.950 0.068 0.000 2.578 4449 F HA 0.487 5.015 4.527 0.001 0.000 0.311 4449 F C 0.954 176.822 175.800 0.114 0.000 1.094 4449 F CA -0.383 57.680 58.000 0.106 0.000 0.923 4449 F CB 2.199 41.302 39.000 0.171 0.000 1.230 4449 F HN 0.310 nan 8.300 nan 0.000 0.450 4450 G N 2.366 111.339 108.800 0.287 0.000 2.507 4450 G HA2 0.530 4.491 3.960 0.001 0.000 0.271 4450 G HA3 0.530 4.491 3.960 0.001 0.000 0.271 4450 G C -2.727 172.322 174.900 0.249 0.000 1.189 4450 G CA -1.369 43.855 45.100 0.206 0.000 0.859 4450 G HN 0.300 nan 8.290 nan 0.000 0.542 4451 P HA 0.197 nan 4.420 nan 0.000 0.269 4451 P C -0.450 176.953 177.300 0.171 0.000 1.211 4451 P CA -0.302 62.906 63.100 0.180 0.000 0.781 4451 P CB 0.800 32.564 31.700 0.108 0.000 0.877 4452 V N 2.775 122.790 119.914 0.170 0.000 2.604 4452 V HA 0.380 4.501 4.120 0.001 0.000 0.305 4452 V C 0.070 176.148 176.094 -0.027 0.000 1.043 4452 V CA -0.500 61.881 62.300 0.136 0.000 0.888 4452 V CB 1.955 33.958 31.823 0.299 0.000 0.995 4452 V HN 0.380 nan 8.190 nan 0.000 0.429 4453 K N 4.647 125.025 120.400 -0.037 0.000 2.449 4453 K HA 0.535 4.856 4.320 0.001 0.000 0.257 4453 K C -1.199 175.348 176.600 -0.088 0.000 0.989 4453 K CA -0.513 55.705 56.287 -0.114 0.000 0.916 4453 K CB 1.261 33.718 32.500 -0.072 0.000 1.136 4453 K HN 0.506 nan 8.250 nan 0.000 0.439 4454 L N 1.970 123.105 121.223 -0.146 0.000 2.395 4454 L HA 0.224 4.564 4.340 0.001 0.000 0.269 4454 L C 2.158 178.990 176.870 -0.064 0.000 1.133 4454 L CA -0.210 54.588 54.840 -0.071 0.000 0.812 4454 L CB 0.577 42.601 42.059 -0.058 0.000 1.125 4454 L HN 0.708 nan 8.230 nan 0.000 0.452 4455 T N -2.122 112.415 114.554 -0.027 0.000 2.795 4455 T HA -0.265 4.086 4.350 0.001 0.000 0.266 4455 T C 0.971 175.653 174.700 -0.030 0.000 1.056 4455 T CA 1.716 63.803 62.100 -0.022 0.000 1.141 4455 T CB -0.666 68.198 68.868 -0.007 0.000 0.840 4455 T HN 0.820 nan 8.240 nan 0.000 0.493 4456 D N 0.492 120.868 120.400 -0.039 0.000 2.319 4456 D HA 0.295 4.936 4.640 0.001 0.000 0.230 4456 D C 1.496 177.759 176.300 -0.062 0.000 1.094 4456 D CA 0.377 54.354 54.000 -0.039 0.000 0.856 4456 D CB -0.945 39.839 40.800 -0.027 0.000 0.915 4456 D HN 0.687 nan 8.370 nan 0.000 0.517 4457 G N 0.464 109.216 108.800 -0.080 0.000 2.147 4457 G HA2 -0.360 3.600 3.960 0.001 0.000 0.244 4457 G HA3 -0.360 3.600 3.960 0.001 0.000 0.244 4457 G C 0.111 174.917 174.900 -0.157 0.000 1.005 4457 G CA -0.232 44.811 45.100 -0.096 0.000 0.713 4457 G HN 0.454 nan 8.290 nan 0.000 0.515 4458 R N -0.046 120.314 120.500 -0.234 0.000 2.221 4458 R HA 0.528 4.869 4.340 0.001 0.000 0.327 4458 R C 0.432 176.322 176.300 -0.685 0.000 1.033 4458 R CA -0.181 55.658 56.100 -0.436 0.000 0.887 4458 R CB 1.240 31.272 30.300 -0.446 0.000 1.057 4458 R HN 0.292 nan 8.270 nan 0.000 0.455 4459 V N 1.921 121.446 119.914 -0.648 0.000 2.547 4459 V HA 0.625 4.746 4.120 0.001 0.000 0.299 4459 V C -0.655 175.084 176.094 -0.591 0.000 1.040 4459 V CA -0.943 61.045 62.300 -0.520 0.000 0.913 4459 V CB 1.431 33.129 31.823 -0.209 0.000 0.992 4459 V HN 0.426 nan 8.190 nan 0.000 0.449 4460 F N 0.709 120.566 119.950 -0.155 0.000 2.547 4460 F HA 0.613 5.141 4.527 0.001 0.000 0.316 4460 F C 0.406 176.151 175.800 -0.092 0.000 1.121 4460 F CA -0.936 56.899 58.000 -0.275 0.000 0.911 4460 F CB 2.342 40.831 39.000 -0.852 0.000 1.179 4460 F HN 0.437 nan 8.300 nan 0.000 0.443 4461 T N 5.153 119.812 114.554 0.174 0.000 3.029 4461 T HA 0.317 4.668 4.350 0.001 0.000 0.346 4461 T C -2.666 172.154 174.700 0.200 0.000 1.211 4461 T CA -1.436 60.770 62.100 0.177 0.000 1.009 4461 T CB 0.525 69.467 68.868 0.123 0.000 1.084 4461 T HN 0.149 nan 8.240 nan 0.000 0.536 4462 P HA 0.309 nan 4.420 nan 0.000 0.275 4462 P C 0.260 177.634 177.300 0.125 0.000 1.228 4462 P CA -0.148 63.106 63.100 0.258 0.000 0.786 4462 P CB 0.912 32.842 31.700 0.383 0.000 0.927 4463 G N 1.548 110.370 108.800 0.037 0.000 2.437 4463 G HA2 0.395 4.355 3.960 0.001 0.000 0.319 4463 G HA3 0.395 4.355 3.960 0.001 0.000 0.319 4463 G C -0.936 174.005 174.900 0.068 0.000 1.158 4463 G CA -0.506 44.656 45.100 0.102 0.000 0.899 4463 G HN 0.570 nan 8.290 nan 0.000 0.502 4464 Q N -0.289 119.576 119.800 0.108 0.000 2.214 4464 Q HA 0.566 4.907 4.340 0.001 0.000 0.251 4464 Q C 0.085 176.005 176.000 -0.135 0.000 0.936 4464 Q CA -0.806 55.008 55.803 0.019 0.000 0.894 4464 Q CB 1.469 30.248 28.738 0.068 0.000 1.252 4464 Q HN 0.560 nan 8.270 nan 0.000 0.448 4465 G N 3.159 111.783 108.800 -0.292 0.000 4.373 4465 G HA2 0.123 4.084 3.960 0.001 0.000 0.337 4465 G HA3 0.123 4.084 3.960 0.001 0.000 0.337 4465 G C -0.716 174.081 174.900 -0.171 0.000 1.442 4465 G CA -0.418 44.288 45.100 -0.656 0.000 1.150 4465 G HN 0.538 nan 8.290 nan 0.000 0.517 4466 N N 0.804 119.553 118.700 0.082 0.000 2.514 4466 N HA 0.073 4.814 4.740 0.001 0.000 0.277 4466 N C 1.330 176.912 175.510 0.120 0.000 1.126 4466 N CA -0.615 52.474 53.050 0.066 0.000 0.978 4466 N CB 0.965 39.433 38.487 -0.031 0.000 1.106 4466 N HN 0.160 nan 8.380 nan 0.000 0.461 4467 N N 1.701 120.492 118.700 0.153 0.000 2.348 4467 N HA -0.151 4.590 4.740 0.001 0.000 0.185 4467 N C 1.532 177.100 175.510 0.098 0.000 1.019 4467 N CA 0.367 53.550 53.050 0.221 0.000 0.880 4467 N CB -0.234 38.462 38.487 0.348 0.000 0.965 4467 N HN 0.391 nan 8.380 nan 0.000 0.437 4468 V N 0.305 120.181 119.914 -0.063 0.000 2.546 4468 V HA -0.274 3.847 4.120 0.001 0.000 0.254 4468 V C 1.349 177.082 176.094 -0.602 0.000 1.076 4468 V CA 1.508 63.414 62.300 -0.658 0.000 1.087 4468 V CB -0.619 30.989 31.823 -0.358 0.000 0.674 4468 V HN 0.275 nan 8.190 nan 0.000 0.470 4469 Y N -0.732 119.395 120.300 -0.289 0.000 2.384 4469 Y HA -0.168 4.382 4.550 0.001 0.000 0.289 4469 Y C 2.065 177.836 175.900 -0.214 0.000 1.152 4469 Y CA 1.516 59.487 58.100 -0.216 0.000 1.258 4469 Y CB 0.137 38.503 38.460 -0.157 0.000 0.979 4469 Y HN 0.278 nan 8.280 nan 0.000 0.549 4470 I N -2.015 118.499 120.570 -0.093 0.000 3.744 4470 I HA -0.108 4.063 4.170 0.001 0.000 0.240 4470 I C 2.215 178.260 176.117 -0.120 0.000 1.096 4470 I CA 0.471 61.744 61.300 -0.045 0.000 1.558 4470 I CB -1.672 36.397 38.000 0.116 0.000 1.531 4470 I HN 0.171 nan 8.210 nan 0.000 0.459 4471 F N 3.402 123.371 119.950 0.032 0.000 2.167 4471 F HA -0.145 4.383 4.527 0.002 0.000 0.301 4471 F C -0.776 174.850 175.800 -0.289 0.000 1.066 4471 F CA 1.414 59.398 58.000 -0.026 0.000 1.285 4471 F CB -3.115 35.943 39.000 0.097 0.000 1.032 4471 F HN 0.133 nan 8.300 nan 0.000 0.495 4472 P HA 0.075 nan 4.420 nan 0.000 0.219 4472 P C 1.967 179.111 177.300 -0.260 0.000 1.154 4472 P CA 1.960 64.814 63.100 -0.409 0.000 0.826 4472 P CB -0.393 31.049 31.700 -0.430 0.000 0.795 4473 G N -0.146 108.522 108.800 -0.220 0.000 2.572 4473 G HA2 -0.040 3.921 3.960 0.001 0.000 0.216 4473 G HA3 -0.040 3.921 3.960 0.001 0.000 0.216 4473 G C 1.481 176.295 174.900 -0.143 0.000 1.133 4473 G CA 0.227 45.236 45.100 -0.152 0.000 0.791 4473 G HN 0.164 nan 8.290 nan 0.000 0.538 4474 V N 1.037 120.861 119.914 -0.150 0.000 2.339 4474 V HA 0.108 4.229 4.120 0.001 0.000 0.234 4474 V C 3.174 179.167 176.094 -0.169 0.000 1.053 4474 V CA 1.565 63.751 62.300 -0.188 0.000 1.042 4474 V CB -0.700 30.988 31.823 -0.225 0.000 0.678 4474 V HN 0.372 nan 8.190 nan 0.000 0.475 4475 A N 0.046 122.793 122.820 -0.121 0.000 1.969 4475 A HA -0.326 3.995 4.320 0.001 0.000 0.223 4475 A C 2.154 179.699 177.584 -0.064 0.000 1.218 4475 A CA 2.719 54.733 52.037 -0.039 0.000 0.667 4475 A CB -0.898 18.103 19.000 0.002 0.000 0.826 4475 A HN 0.469 nan 8.150 nan 0.000 0.472 4476 L N -0.478 120.683 121.223 -0.103 0.000 1.955 4476 L HA -0.127 4.214 4.340 0.001 0.000 0.213 4476 L C 2.798 179.602 176.870 -0.110 0.000 1.072 4476 L CA 2.686 57.465 54.840 -0.101 0.000 0.755 4476 L CB -1.254 40.736 42.059 -0.115 0.000 0.888 4476 L HN 0.411 nan 8.230 nan 0.000 0.432 4477 A N -1.151 121.596 122.820 -0.123 0.000 1.903 4477 A HA -0.232 4.089 4.320 0.001 0.000 0.219 4477 A C 2.345 179.859 177.584 -0.116 0.000 1.191 4477 A CA 2.428 54.391 52.037 -0.123 0.000 0.638 4477 A CB -1.373 17.554 19.000 -0.121 0.000 0.823 4477 A HN 0.368 nan 8.150 nan 0.000 0.451 4478 V N 0.369 120.211 119.914 -0.119 0.000 2.490 4478 V HA -0.226 3.895 4.120 0.001 0.000 0.250 4478 V C 2.383 178.435 176.094 -0.071 0.000 1.061 4478 V CA 1.619 63.855 62.300 -0.105 0.000 1.064 4478 V CB -0.497 31.261 31.823 -0.110 0.000 0.670 4478 V HN 0.515 nan 8.190 nan 0.000 0.461 4479 I N -0.592 119.942 120.570 -0.060 0.000 2.193 4479 I HA -0.170 4.001 4.170 0.001 0.000 0.240 4479 I C 2.150 178.243 176.117 -0.040 0.000 1.084 4479 I CA 1.757 63.030 61.300 -0.046 0.000 1.365 4479 I CB -0.730 37.240 38.000 -0.051 0.000 1.064 4479 I HN 0.272 nan 8.210 nan 0.000 0.410 4480 L N -0.363 120.821 121.223 -0.065 0.000 2.622 4480 L HA -0.133 4.208 4.340 0.001 0.000 0.233 4480 L C 1.923 178.814 176.870 0.035 0.000 1.156 4480 L CA 0.271 55.081 54.840 -0.050 0.000 0.866 4480 L CB -0.189 41.749 42.059 -0.201 0.000 0.980 4480 L HN 0.310 nan 8.230 nan 0.000 0.448 4481 C N -0.776 118.508 119.300 -0.027 0.000 3.183 4481 C HA 0.198 4.659 4.460 0.001 0.000 0.285 4481 C C 1.279 176.269 174.990 0.001 0.000 1.313 4481 C CA -0.399 58.576 59.018 -0.071 0.000 1.711 4481 C CB -1.304 26.332 27.740 -0.174 0.000 2.135 4481 C HN 0.643 nan 8.230 nan 0.000 0.651 4482 N N 0.957 119.671 118.700 0.023 0.000 2.725 4482 N HA -0.142 4.599 4.740 0.001 0.000 0.249 4482 N C -0.272 175.203 175.510 -0.058 0.000 1.103 4482 N CA 0.431 53.515 53.050 0.057 0.000 0.707 4482 N CB -0.659 37.939 38.487 0.185 0.000 1.043 4482 N HN 0.524 nan 8.380 nan 0.000 0.553 4483 T N -0.877 113.599 114.554 -0.130 0.000 2.903 4483 T HA 0.337 4.688 4.350 0.001 0.000 0.314 4483 T C 1.642 176.194 174.700 -0.247 0.000 1.078 4483 T CA 0.676 62.627 62.100 -0.249 0.000 1.114 4483 T CB 1.407 70.179 68.868 -0.161 0.000 0.987 4483 T HN 0.554 nan 8.240 nan 0.000 0.548 4484 R N 0.636 120.927 120.500 -0.349 0.000 2.342 4484 R HA 0.279 4.620 4.340 0.001 0.000 0.204 4484 R C 0.414 176.453 176.300 -0.435 0.000 0.882 4484 R CA 0.469 56.380 56.100 -0.315 0.000 1.041 4484 R CB -0.326 29.812 30.300 -0.270 0.000 1.188 4484 R HN 0.894 nan 8.270 nan 0.000 0.598 4485 H N -0.121 118.917 119.070 -0.054 0.000 2.782 4485 H HA 0.518 5.074 4.556 0.001 0.000 0.347 4485 H C -0.770 174.565 175.328 0.011 0.000 1.038 4485 H CA -0.828 55.235 56.048 0.026 0.000 1.255 4485 H CB 2.008 31.795 29.762 0.042 0.000 1.623 4485 H HN 0.169 nan 8.280 nan 0.000 0.525 4486 I N 2.641 123.307 120.570 0.161 0.000 2.337 4486 I HA 0.213 4.384 4.170 0.001 0.000 0.291 4486 I C 0.254 176.440 176.117 0.115 0.000 1.046 4486 I CA -0.434 60.898 61.300 0.054 0.000 1.324 4486 I CB 0.589 38.591 38.000 0.003 0.000 1.409 4486 I HN 0.479 nan 8.210 nan 0.000 0.494 4487 S N 3.926 119.662 115.700 0.059 0.000 2.585 4487 S HA 0.264 4.735 4.470 0.001 0.000 0.277 4487 S C 0.738 175.415 174.600 0.128 0.000 1.241 4487 S CA -0.813 57.455 58.200 0.115 0.000 1.041 4487 S CB 2.045 65.315 63.200 0.117 0.000 0.987 4487 S HN 0.547 nan 8.310 nan 0.000 0.512 4488 D N 2.219 122.754 120.400 0.225 0.000 2.133 4488 D HA -0.167 4.474 4.640 0.001 0.000 0.195 4488 D C 2.187 178.610 176.300 0.205 0.000 0.997 4488 D CA 1.913 56.108 54.000 0.325 0.000 0.840 4488 D CB -0.746 40.193 40.800 0.233 0.000 0.947 4488 D HN 0.738 nan 8.370 nan 0.000 0.452 4489 S N 0.863 116.635 115.700 0.120 0.000 2.413 4489 S HA -0.191 4.280 4.470 0.001 0.000 0.237 4489 S C 2.315 176.824 174.600 -0.152 0.000 1.044 4489 S CA 1.374 59.612 58.200 0.063 0.000 1.024 4489 S CB -0.931 62.368 63.200 0.166 0.000 0.829 4489 S HN 0.172 nan 8.310 nan 0.000 0.475 4490 V N 0.769 120.531 119.914 -0.254 0.000 2.307 4490 V HA -0.091 4.030 4.120 0.001 0.000 0.245 4490 V C 2.175 177.972 176.094 -0.494 0.000 1.045 4490 V CA 1.735 63.701 62.300 -0.557 0.000 1.024 4490 V CB -1.198 30.278 31.823 -0.578 0.000 0.651 4490 V HN 0.452 nan 8.190 nan 0.000 0.449 4491 F N -0.131 119.722 119.950 -0.162 0.000 2.171 4491 F HA -0.130 4.398 4.527 0.001 0.000 0.300 4491 F C 2.225 177.975 175.800 -0.085 0.000 1.090 4491 F CA 1.685 59.617 58.000 -0.113 0.000 1.293 4491 F CB -0.422 38.543 39.000 -0.058 0.000 1.013 4491 F HN 0.075 nan 8.300 nan 0.000 0.486 4492 L N 0.255 121.534 121.223 0.093 0.000 2.083 4492 L HA -0.215 4.126 4.340 0.001 0.000 0.209 4492 L C 2.392 179.246 176.870 -0.027 0.000 1.083 4492 L CA 1.616 56.489 54.840 0.054 0.000 0.752 4492 L CB -0.302 41.792 42.059 0.059 0.000 0.899 4492 L HN 0.100 nan 8.230 nan 0.000 0.433 4493 E N 0.197 120.297 120.200 -0.166 0.000 2.072 4493 E HA -0.167 4.184 4.350 0.001 0.000 0.190 4493 E C 2.067 178.583 176.600 -0.140 0.000 0.982 4493 E CA 1.465 57.730 56.400 -0.226 0.000 0.803 4493 E CB -0.278 29.064 29.700 -0.598 0.000 0.755 4493 E HN 0.521 nan 8.360 nan 0.000 0.453 4494 A N 1.247 123.979 122.820 -0.146 0.000 1.908 4494 A HA -0.125 4.196 4.320 0.001 0.000 0.218 4494 A C 2.491 180.073 177.584 -0.004 0.000 1.181 4494 A CA 2.380 54.372 52.037 -0.075 0.000 0.627 4494 A CB -1.299 17.668 19.000 -0.056 0.000 0.818 4494 A HN 0.430 nan 8.150 nan 0.000 0.445 4495 A N 0.422 123.260 122.820 0.031 0.000 1.859 4495 A HA -0.289 4.031 4.320 0.001 0.000 0.218 4495 A C 2.086 179.694 177.584 0.041 0.000 1.209 4495 A CA 2.358 54.432 52.037 0.062 0.000 0.639 4495 A CB -0.690 18.358 19.000 0.080 0.000 0.835 4495 A HN 0.614 nan 8.150 nan 0.000 0.450 4496 K N -0.032 120.383 120.400 0.024 0.000 2.057 4496 K HA 0.038 4.359 4.320 0.001 0.000 0.207 4496 K C 2.268 178.877 176.600 0.014 0.000 1.049 4496 K CA 1.215 57.515 56.287 0.021 0.000 0.931 4496 K CB -0.493 32.021 32.500 0.023 0.000 0.714 4496 K HN 0.432 nan 8.250 nan 0.000 0.440 4497 A N 1.989 124.811 122.820 0.002 0.000 1.892 4497 A HA -0.210 4.111 4.320 0.001 0.000 0.218 4497 A C 2.204 179.794 177.584 0.010 0.000 1.188 4497 A CA 1.743 53.781 52.037 0.001 0.000 0.631 4497 A CB -0.727 18.260 19.000 -0.022 0.000 0.822 4497 A HN 0.289 nan 8.150 nan 0.000 0.447 4498 L N -0.646 120.586 121.223 0.016 0.000 1.961 4498 L HA -0.090 4.251 4.340 0.001 0.000 0.210 4498 L C 2.325 179.205 176.870 0.017 0.000 1.072 4498 L CA 2.971 57.827 54.840 0.027 0.000 0.749 4498 L CB -1.531 40.555 42.059 0.044 0.000 0.889 4498 L HN 0.321 nan 8.230 nan 0.000 0.432 4499 T N -0.355 114.208 114.554 0.015 0.000 2.848 4499 T HA -0.146 4.205 4.350 0.001 0.000 0.269 4499 T C 1.579 176.271 174.700 -0.013 0.000 1.081 4499 T CA 1.507 63.599 62.100 -0.013 0.000 1.125 4499 T CB -0.322 68.540 68.868 -0.009 0.000 0.848 4499 T HN 0.509 nan 8.240 nan 0.000 0.503 4500 S N 0.531 116.233 115.700 0.003 0.000 2.631 4500 S HA 0.109 4.580 4.470 0.001 0.000 0.217 4500 S C 1.648 176.253 174.600 0.008 0.000 0.958 4500 S CA -0.079 58.124 58.200 0.006 0.000 0.920 4500 S CB 0.098 63.306 63.200 0.013 0.000 0.776 4500 S HN 0.256 nan 8.310 nan 0.000 0.517 4501 Q N 0.888 120.693 119.800 0.008 0.000 2.250 4501 Q HA 0.230 4.571 4.340 0.001 0.000 0.200 4501 Q C 0.521 176.528 176.000 0.013 0.000 0.941 4501 Q CA 0.225 56.038 55.803 0.017 0.000 0.872 4501 Q CB -0.203 28.554 28.738 0.031 0.000 0.965 4501 Q HN 0.298 nan 8.270 nan 0.000 0.480 4502 L N 1.743 122.964 121.223 -0.004 0.000 2.573 4502 L HA -0.013 4.328 4.340 0.001 0.000 0.290 4502 L C 0.486 177.355 176.870 -0.002 0.000 1.247 4502 L CA 1.161 55.994 54.840 -0.012 0.000 0.876 4502 L CB 0.004 42.036 42.059 -0.044 0.000 1.123 4502 L HN 0.349 nan 8.230 nan 0.000 0.505 4503 T N -0.107 114.449 114.554 0.004 0.000 2.940 4503 T HA 0.305 4.656 4.350 0.001 0.000 0.288 4503 T C 0.934 175.637 174.700 0.005 0.000 1.033 4503 T CA -0.803 61.302 62.100 0.008 0.000 1.033 4503 T CB 1.473 70.350 68.868 0.015 0.000 1.079 4503 T HN 0.563 nan 8.240 nan 0.000 0.496 4504 D N 1.842 122.247 120.400 0.007 0.000 2.182 4504 D HA -0.179 4.462 4.640 0.001 0.000 0.193 4504 D C 1.733 178.039 176.300 0.010 0.000 0.999 4504 D CA 1.873 55.877 54.000 0.007 0.000 0.850 4504 D CB -0.389 40.416 40.800 0.009 0.000 0.994 4504 D HN 0.801 nan 8.370 nan 0.000 0.450 4505 E N 0.862 121.070 120.200 0.014 0.000 2.253 4505 E HA -0.212 4.139 4.350 0.001 0.000 0.202 4505 E C 1.930 178.542 176.600 0.021 0.000 1.014 4505 E CA 1.128 57.539 56.400 0.018 0.000 0.823 4505 E CB -0.275 29.437 29.700 0.019 0.000 0.736 4505 E HN 0.455 nan 8.360 nan 0.000 0.478 4506 E N -0.604 119.607 120.200 0.018 0.000 2.076 4506 E HA -0.065 4.286 4.350 0.001 0.000 0.190 4506 E C 1.392 177.998 176.600 0.009 0.000 0.979 4506 E CA 0.372 56.783 56.400 0.019 0.000 0.807 4506 E CB 0.106 29.815 29.700 0.016 0.000 0.761 4506 E HN 0.087 nan 8.360 nan 0.000 0.454 4507 L N 0.024 121.246 121.223 -0.001 0.000 2.376 4507 L HA 0.051 4.392 4.340 0.001 0.000 0.219 4507 L C 1.994 178.860 176.870 -0.006 0.000 1.133 4507 L CA 1.157 55.989 54.840 -0.013 0.000 0.816 4507 L CB -0.935 41.114 42.059 -0.017 0.000 0.933 4507 L HN 0.099 nan 8.230 nan 0.000 0.449 4508 A N -1.395 121.431 122.820 0.011 0.000 2.123 4508 A HA -0.089 4.231 4.320 0.001 0.000 0.214 4508 A C 1.997 179.611 177.584 0.050 0.000 1.152 4508 A CA 0.413 52.464 52.037 0.024 0.000 0.728 4508 A CB -0.138 18.880 19.000 0.029 0.000 0.814 4508 A HN 0.492 nan 8.150 nan 0.000 0.464 4509 Q N -1.349 118.480 119.800 0.048 0.000 2.424 4509 Q HA 0.234 4.575 4.340 0.001 0.000 0.204 4509 Q C 1.002 177.044 176.000 0.070 0.000 0.933 4509 Q CA 0.391 56.243 55.803 0.082 0.000 0.929 4509 Q CB 0.206 28.983 28.738 0.066 0.000 1.037 4509 Q HN 0.819 nan 8.270 nan 0.000 0.511 4510 G N 2.114 110.914 108.800 0.001 0.000 2.132 4510 G HA2 -0.271 3.690 3.960 0.001 0.000 0.228 4510 G HA3 -0.271 3.690 3.960 0.001 0.000 0.228 4510 G C -0.354 174.557 174.900 0.018 0.000 1.000 4510 G CA -0.099 44.972 45.100 -0.048 0.000 0.693 4510 G HN 0.332 nan 8.290 nan 0.000 0.515 4511 R N -0.522 119.982 120.500 0.007 0.000 2.338 4511 R HA 0.700 5.041 4.340 0.001 0.000 0.317 4511 R C 0.326 176.563 176.300 -0.106 0.000 0.968 4511 R CA -1.042 55.053 56.100 -0.009 0.000 0.849 4511 R CB 0.892 31.215 30.300 0.037 0.000 1.128 4511 R HN 0.053 nan 8.270 nan 0.000 0.448 4512 L N 2.618 123.691 121.223 -0.249 0.000 2.851 4512 L HA 0.365 4.706 4.340 0.001 0.000 0.237 4512 L C -0.852 175.449 176.870 -0.948 0.000 1.257 4512 L CA -0.063 54.472 54.840 -0.508 0.000 1.061 4512 L CB -0.959 40.760 42.059 -0.567 0.000 1.372 4512 L HN 0.615 nan 8.230 nan 0.000 0.493 4513 Y N -1.844 118.358 120.300 -0.164 0.000 2.521 4513 Y HA 0.427 4.978 4.550 0.002 0.000 0.332 4513 Y C -2.484 173.324 175.900 -0.154 0.000 1.121 4513 Y CA -2.305 55.614 58.100 -0.300 0.000 1.037 4513 Y CB 1.843 40.007 38.460 -0.493 0.000 1.330 4513 Y HN -0.131 nan 8.280 nan 0.000 0.452 4514 P HA 0.106 nan 4.420 nan 0.000 0.270 4514 P C -2.687 174.766 177.300 0.254 0.000 1.223 4514 P CA -1.254 61.931 63.100 0.142 0.000 0.785 4514 P CB 0.023 31.816 31.700 0.156 0.000 0.923 4515 P HA 0.050 nan 4.420 nan 0.000 0.266 4515 P C 0.709 178.099 177.300 0.150 0.000 1.215 4515 P CA -0.017 63.176 63.100 0.156 0.000 0.763 4515 P CB 0.154 31.911 31.700 0.094 0.000 0.806 4516 L N 3.817 125.118 121.223 0.130 0.000 2.563 4516 L HA -0.244 4.097 4.340 0.001 0.000 0.230 4516 L C 2.062 178.911 176.870 -0.035 0.000 1.162 4516 L CA 1.651 56.469 54.840 -0.037 0.000 0.812 4516 L CB -1.064 40.944 42.059 -0.085 0.000 0.935 4516 L HN 0.410 nan 8.230 nan 0.000 0.451 4517 A N 0.195 123.025 122.820 0.016 0.000 1.877 4517 A HA -0.185 4.136 4.320 0.001 0.000 0.216 4517 A C 1.295 178.878 177.584 -0.001 0.000 1.186 4517 A CA 1.677 53.719 52.037 0.007 0.000 0.620 4517 A CB -0.753 18.261 19.000 0.024 0.000 0.822 4517 A HN 0.689 nan 8.150 nan 0.000 0.443 4518 N N -0.197 118.514 118.700 0.017 0.000 3.209 4518 N HA 0.345 5.086 4.740 0.001 0.000 0.309 4518 N C 0.382 175.895 175.510 0.004 0.000 1.384 4518 N CA -0.157 52.900 53.050 0.012 0.000 1.173 4518 N CB 0.483 38.987 38.487 0.028 0.000 1.460 4518 N HN 0.366 nan 8.380 nan 0.000 0.534 4519 I N 0.113 120.657 120.570 -0.043 0.000 2.676 4519 I HA -0.185 3.986 4.170 0.001 0.000 0.259 4519 I C 1.877 177.952 176.117 -0.069 0.000 1.194 4519 I CA 1.217 62.464 61.300 -0.089 0.000 1.473 4519 I CB -0.059 37.824 38.000 -0.195 0.000 1.096 4519 I HN 0.317 nan 8.210 nan 0.000 0.443 4520 Q N 1.235 121.005 119.800 -0.050 0.000 1.900 4520 Q HA -0.303 4.038 4.340 0.001 0.000 0.219 4520 Q C 2.075 178.054 176.000 -0.036 0.000 1.012 4520 Q CA 2.566 58.343 55.803 -0.042 0.000 0.876 4520 Q CB -0.985 27.737 28.738 -0.028 0.000 0.952 4520 Q HN 0.775 nan 8.270 nan 0.000 0.419 4521 E N 0.710 120.899 120.200 -0.019 0.000 2.153 4521 E HA -0.129 4.222 4.350 0.001 0.000 0.194 4521 E C 2.171 178.766 176.600 -0.008 0.000 0.988 4521 E CA 1.369 57.761 56.400 -0.013 0.000 0.811 4521 E CB -0.372 29.326 29.700 -0.002 0.000 0.746 4521 E HN 0.086 nan 8.360 nan 0.000 0.466 4522 V N 2.092 122.010 119.914 0.005 0.000 2.231 4522 V HA -0.334 3.786 4.120 0.001 0.000 0.248 4522 V C 2.581 178.675 176.094 0.000 0.000 1.054 4522 V CA 2.449 64.766 62.300 0.028 0.000 1.015 4522 V CB -0.638 31.237 31.823 0.086 0.000 0.638 4522 V HN 0.430 nan 8.190 nan 0.000 0.444 4523 S N -0.599 115.078 115.700 -0.039 0.000 2.428 4523 S HA -0.010 4.461 4.470 0.001 0.000 0.230 4523 S C 1.849 176.405 174.600 -0.074 0.000 1.014 4523 S CA 1.252 59.405 58.200 -0.079 0.000 0.957 4523 S CB -0.327 62.786 63.200 -0.144 0.000 0.784 4523 S HN 0.529 nan 8.310 nan 0.000 0.499 4524 I N 2.487 123.022 120.570 -0.058 0.000 2.233 4524 I HA -0.154 4.017 4.170 0.001 0.000 0.243 4524 I C 2.421 178.514 176.117 -0.041 0.000 1.093 4524 I CA 0.984 62.251 61.300 -0.055 0.000 1.380 4524 I CB -0.446 37.527 38.000 -0.044 0.000 1.067 4524 I HN 0.338 nan 8.210 nan 0.000 0.413 4525 N N 0.974 119.660 118.700 -0.024 0.000 2.069 4525 N HA -0.193 4.547 4.740 0.001 0.000 0.191 4525 N C 2.036 177.536 175.510 -0.016 0.000 1.031 4525 N CA 1.348 54.391 53.050 -0.010 0.000 0.852 4525 N CB -0.093 38.395 38.487 0.002 0.000 1.018 4525 N HN 0.278 nan 8.380 nan 0.000 0.423 4526 I N 1.433 121.989 120.570 -0.024 0.000 2.151 4526 I HA -0.302 3.869 4.170 0.001 0.000 0.243 4526 I C 2.538 178.622 176.117 -0.054 0.000 1.080 4526 I CA 1.048 62.328 61.300 -0.035 0.000 1.339 4526 I CB -0.395 37.581 38.000 -0.041 0.000 1.039 4526 I HN 0.159 nan 8.210 nan 0.000 0.409 4527 A N 1.092 123.872 122.820 -0.067 0.000 1.940 4527 A HA -0.178 4.143 4.320 0.001 0.000 0.219 4527 A C 2.241 179.789 177.584 -0.059 0.000 1.176 4527 A CA 1.503 53.491 52.037 -0.082 0.000 0.631 4527 A CB -0.700 18.242 19.000 -0.095 0.000 0.814 4527 A HN 0.432 nan 8.150 nan 0.000 0.446 4528 I N -1.246 119.303 120.570 -0.034 0.000 2.163 4528 I HA -0.188 3.983 4.170 0.001 0.000 0.240 4528 I C 2.303 178.433 176.117 0.022 0.000 1.081 4528 I CA 1.604 62.904 61.300 -0.000 0.000 1.353 4528 I CB -0.741 37.268 38.000 0.015 0.000 1.054 4528 I HN 0.124 nan 8.210 nan 0.000 0.407 4529 K N 1.032 121.442 120.400 0.016 0.000 2.281 4529 K HA -0.091 4.230 4.320 0.001 0.000 0.203 4529 K C 1.849 178.473 176.600 0.041 0.000 1.046 4529 K CA 0.841 57.149 56.287 0.035 0.000 0.938 4529 K CB -0.422 32.089 32.500 0.018 0.000 0.737 4529 K HN 0.211 nan 8.250 nan 0.000 0.458 4530 V N -0.131 119.779 119.914 -0.007 0.000 2.426 4530 V HA -0.185 3.936 4.120 0.001 0.000 0.242 4530 V C 2.282 178.401 176.094 0.043 0.000 1.036 4530 V CA 1.856 64.141 62.300 -0.026 0.000 1.044 4530 V CB -0.721 31.028 31.823 -0.123 0.000 0.688 4530 V HN 0.525 nan 8.190 nan 0.000 0.462 4531 T N -0.587 113.962 114.554 -0.009 0.000 2.607 4531 T HA -0.338 4.013 4.350 0.001 0.000 0.267 4531 T C 1.664 176.377 174.700 0.022 0.000 1.049 4531 T CA 2.172 64.238 62.100 -0.055 0.000 1.162 4531 T CB -0.673 68.154 68.868 -0.068 0.000 0.863 4531 T HN 0.554 nan 8.240 nan 0.000 0.424 4532 E N 0.221 120.484 120.200 0.106 0.000 2.108 4532 E HA -0.219 4.131 4.350 0.001 0.000 0.203 4532 E C 1.879 178.595 176.600 0.193 0.000 1.022 4532 E CA 1.898 58.406 56.400 0.179 0.000 0.823 4532 E CB -0.445 29.343 29.700 0.147 0.000 0.744 4532 E HN 0.762 nan 8.360 nan 0.000 0.456 4533 Y N 1.252 121.579 120.300 0.044 0.000 2.036 4533 Y HA -0.256 4.295 4.550 0.001 0.000 0.273 4533 Y C 2.111 178.041 175.900 0.050 0.000 1.135 4533 Y CA 1.770 59.891 58.100 0.036 0.000 1.106 4533 Y CB -0.407 38.051 38.460 -0.003 0.000 0.976 4533 Y HN -0.081 nan 8.280 nan 0.000 0.483 4534 L N -0.641 120.759 121.223 0.295 0.000 2.197 4534 L HA -0.308 4.032 4.340 0.001 0.000 0.215 4534 L C 2.230 179.172 176.870 0.120 0.000 1.095 4534 L CA 1.736 56.663 54.840 0.145 0.000 0.764 4534 L CB -0.952 41.145 42.059 0.063 0.000 0.897 4534 L HN 0.413 nan 8.230 nan 0.000 0.436 4535 Y N -0.665 119.652 120.300 0.029 0.000 2.153 4535 Y HA -0.116 4.435 4.550 0.001 0.000 0.289 4535 Y C 2.554 178.444 175.900 -0.016 0.000 1.119 4535 Y CA 0.276 58.393 58.100 0.027 0.000 1.116 4535 Y CB 0.005 38.490 38.460 0.043 0.000 1.004 4535 Y HN 0.130 nan 8.280 nan 0.000 0.501 4536 A N -0.284 122.606 122.820 0.117 0.000 2.239 4536 A HA -0.123 4.198 4.320 0.001 0.000 0.209 4536 A C 1.330 178.865 177.584 -0.083 0.000 1.171 4536 A CA 1.032 53.066 52.037 -0.004 0.000 0.768 4536 A CB -0.579 18.409 19.000 -0.020 0.000 0.790 4536 A HN 0.526 nan 8.150 nan 0.000 0.478 4537 N N -0.144 118.479 118.700 -0.128 0.000 2.205 4537 N HA 0.034 4.775 4.740 0.001 0.000 0.201 4537 N C -0.662 174.833 175.510 -0.025 0.000 1.128 4537 N CA -0.105 52.836 53.050 -0.183 0.000 0.867 4537 N CB 0.344 38.567 38.487 -0.441 0.000 0.996 4537 N HN 0.257 nan 8.380 nan 0.000 0.503 4541 F N 0.305 120.367 119.950 0.187 0.000 2.740 4541 F HA 0.206 4.734 4.527 0.001 0.000 0.304 4541 F C 1.494 177.433 175.800 0.232 0.000 1.098 4541 F CA -0.559 57.559 58.000 0.196 0.000 1.258 4541 F CB 0.393 39.481 39.000 0.147 0.000 1.061 4541 F HN 0.549 nan 8.300 nan 0.000 0.598 4542 R N 2.432 123.166 120.500 0.391 0.000 2.502 4542 R HA -0.058 4.283 4.340 0.001 0.000 0.292 4542 R C -1.331 175.145 176.300 0.292 0.000 0.998 4542 R CA 0.514 56.765 56.100 0.251 0.000 1.056 4542 R CB -0.226 30.186 30.300 0.185 0.000 0.939 4542 R HN 0.301 nan 8.270 nan 0.000 0.411 4543 Y N 3.818 124.207 120.300 0.148 0.000 2.485 4543 Y HA 0.685 5.236 4.550 0.001 0.000 0.345 4543 Y C -2.355 173.570 175.900 0.041 0.000 0.998 4543 Y CA -2.364 55.782 58.100 0.077 0.000 1.059 4543 Y CB 1.060 39.544 38.460 0.039 0.000 1.234 4543 Y HN 0.481 nan 8.280 nan 0.000 0.461 4544 P HA 0.181 nan 4.420 nan 0.000 0.279 4544 P C -1.352 175.970 177.300 0.037 0.000 1.282 4544 P CA -0.603 62.600 63.100 0.171 0.000 0.788 4544 P CB 1.096 32.858 31.700 0.105 0.000 1.139 4545 E N 1.195 121.342 120.200 -0.088 0.000 2.194 4545 E HA 0.219 4.570 4.350 0.001 0.000 0.284 4545 E C -1.838 174.661 176.600 -0.169 0.000 1.035 4545 E CA -1.872 54.346 56.400 -0.304 0.000 0.836 4545 E CB 0.298 29.581 29.700 -0.696 0.000 1.070 4545 E HN 0.243 nan 8.360 nan 0.000 0.401 4546 P HA 0.003 nan 4.420 nan 0.000 0.275 4546 P C 0.071 177.347 177.300 -0.041 0.000 1.266 4546 P CA -0.159 62.881 63.100 -0.100 0.000 0.793 4546 P CB 0.992 32.576 31.700 -0.193 0.000 1.074 4547 E N -0.202 119.990 120.200 -0.012 0.000 2.045 4547 E HA -0.086 4.265 4.350 0.001 0.000 0.190 4547 E C -0.176 176.451 176.600 0.045 0.000 0.968 4547 E CA 0.552 56.956 56.400 0.007 0.000 0.813 4547 E CB -0.209 29.495 29.700 0.007 0.000 0.780 4547 E HN 0.336 nan 8.360 nan 0.000 0.455 4548 D N 0.915 121.350 120.400 0.059 0.000 2.365 4548 D HA 0.064 4.705 4.640 0.001 0.000 0.237 4548 D C 0.266 176.655 176.300 0.148 0.000 1.190 4548 D CA -0.044 54.009 54.000 0.088 0.000 0.867 4548 D CB 1.225 42.071 40.800 0.076 0.000 1.050 4548 D HN -0.088 nan 8.370 nan 0.000 0.491 4549 K N 2.393 122.893 120.400 0.166 0.000 2.186 4549 K HA 0.126 4.446 4.320 0.001 0.000 0.202 4549 K C 1.684 178.391 176.600 0.179 0.000 1.052 4549 K CA 0.654 57.085 56.287 0.240 0.000 0.965 4549 K CB -0.205 32.421 32.500 0.210 0.000 0.746 4549 K HN 0.390 nan 8.250 nan 0.000 0.457 4550 A N 1.466 124.356 122.820 0.117 0.000 1.841 4550 A HA -0.247 4.074 4.320 0.001 0.000 0.216 4550 A C 2.149 179.779 177.584 0.076 0.000 1.199 4550 A CA 1.996 54.078 52.037 0.075 0.000 0.621 4550 A CB -0.532 18.503 19.000 0.059 0.000 0.835 4550 A HN 0.241 nan 8.150 nan 0.000 0.445 4551 K N -1.892 118.563 120.400 0.093 0.000 2.147 4551 K HA -0.199 4.122 4.320 0.001 0.000 0.205 4551 K C 1.937 178.620 176.600 0.138 0.000 1.049 4551 K CA 1.668 58.010 56.287 0.091 0.000 0.936 4551 K CB -0.369 32.182 32.500 0.086 0.000 0.722 4551 K HN 0.550 nan 8.250 nan 0.000 0.446 4552 Y N 1.708 122.028 120.300 0.034 0.000 2.070 4552 Y HA -0.275 4.276 4.550 0.001 0.000 0.280 4552 Y C 1.955 177.867 175.900 0.019 0.000 1.148 4552 Y CA 1.661 59.782 58.100 0.035 0.000 1.125 4552 Y CB -0.769 37.724 38.460 0.054 0.000 0.975 4552 Y HN -0.164 nan 8.280 nan 0.000 0.492 4553 V N 0.673 120.477 119.914 -0.183 0.000 2.237 4553 V HA -0.299 3.822 4.120 0.001 0.000 0.245 4553 V C 2.246 178.248 176.094 -0.153 0.000 1.046 4553 V CA 2.365 64.491 62.300 -0.290 0.000 1.007 4553 V CB -0.850 30.878 31.823 -0.157 0.000 0.638 4553 V HN 0.230 nan 8.190 nan 0.000 0.445 4554 K N -0.433 119.928 120.400 -0.065 0.000 2.589 4554 K HA -0.174 4.147 4.320 0.001 0.000 0.195 4554 K C 1.727 178.308 176.600 -0.031 0.000 1.042 4554 K CA 1.042 57.307 56.287 -0.037 0.000 0.940 4554 K CB -0.079 32.416 32.500 -0.009 0.000 0.776 4554 K HN 0.564 nan 8.250 nan 0.000 0.487 4555 E N -0.989 119.187 120.200 -0.040 0.000 2.511 4555 E HA 0.044 4.395 4.350 0.001 0.000 0.209 4555 E C 0.788 177.370 176.600 -0.030 0.000 0.986 4555 E CA 0.047 56.438 56.400 -0.015 0.000 0.974 4555 E CB 0.626 30.344 29.700 0.030 0.000 1.030 4555 E HN 0.047 nan 8.360 nan 0.000 0.490 4556 R N 0.570 121.021 120.500 -0.082 0.000 2.472 4556 R HA 0.067 4.408 4.340 0.001 0.000 0.279 4556 R C -0.040 176.241 176.300 -0.032 0.000 0.953 4556 R CA 0.144 56.201 56.100 -0.071 0.000 1.088 4556 R CB 0.823 31.022 30.300 -0.167 0.000 1.197 4556 R HN -0.027 nan 8.270 nan 0.000 0.536 4557 T N -1.892 112.648 114.554 -0.024 0.000 2.794 4557 T HA 0.140 4.491 4.350 0.001 0.000 0.296 4557 T C -0.043 174.708 174.700 0.085 0.000 0.949 4557 T CA -0.803 61.308 62.100 0.018 0.000 1.101 4557 T CB 1.085 69.948 68.868 -0.009 0.000 0.905 4557 T HN 0.204 nan 8.240 nan 0.000 0.516 4558 W N 2.872 124.117 121.300 -0.091 0.000 2.034 4558 W HA 0.504 5.165 4.660 0.002 0.000 0.357 4558 W C 0.305 176.767 176.519 -0.095 0.000 1.326 4558 W CA -0.239 57.052 57.345 -0.089 0.000 1.318 4558 W CB 0.543 29.934 29.460 -0.115 0.000 1.193 4558 W HN 0.649 nan 8.180 nan 0.000 0.620 4559 R N -0.006 120.088 120.500 -0.675 0.000 2.817 4559 R HA 0.246 4.586 4.340 0.001 0.000 0.268 4559 R C 0.892 176.433 176.300 -1.265 0.000 1.027 4559 R CA 0.033 55.739 56.100 -0.658 0.000 0.928 4559 R CB 1.545 31.583 30.300 -0.437 0.000 1.228 4559 R HN 0.424 nan 8.270 nan 0.000 0.469 4560 S N -0.799 114.508 115.700 -0.654 0.000 2.470 4560 S HA 0.039 4.510 4.470 0.001 0.000 0.222 4560 S C -0.224 174.061 174.600 -0.525 0.000 1.024 4560 S CA -0.125 57.751 58.200 -0.541 0.000 0.931 4560 S CB -0.242 62.835 63.200 -0.206 0.000 0.791 4560 S HN 0.550 nan 8.310 nan 0.000 0.513 4561 E N 1.901 121.838 120.200 -0.438 0.000 2.558 4561 E HA -0.050 4.301 4.350 0.001 0.000 0.255 4561 E C -0.807 175.625 176.600 -0.280 0.000 0.968 4561 E CA 0.015 56.205 56.400 -0.351 0.000 0.939 4561 E CB -0.069 29.491 29.700 -0.233 0.000 0.921 4561 E HN 0.597 nan 8.360 nan 0.000 0.477 4562 Y N 1.521 121.723 120.300 -0.164 0.000 2.683 4562 Y HA -0.069 4.482 4.550 0.001 0.000 0.340 4562 Y C 0.963 176.793 175.900 -0.116 0.000 1.245 4562 Y CA 0.124 58.141 58.100 -0.139 0.000 1.485 4562 Y CB 0.591 38.977 38.460 -0.122 0.000 1.328 4562 Y HN 0.407 nan 8.280 nan 0.000 0.603 4563 D N 1.035 121.495 120.400 0.100 0.000 2.248 4563 D HA 0.102 4.742 4.640 0.001 0.000 0.246 4563 D C -0.582 175.738 176.300 0.033 0.000 1.027 4563 D CA -0.457 53.565 54.000 0.036 0.000 0.853 4563 D CB 1.955 42.768 40.800 0.022 0.000 1.243 4563 D HN 0.417 nan 8.370 nan 0.000 0.462 4564 S N 1.424 117.140 115.700 0.027 0.000 2.568 4564 S HA 0.091 4.562 4.470 0.001 0.000 0.282 4564 S C 1.072 175.695 174.600 0.039 0.000 1.338 4564 S CA -0.251 57.966 58.200 0.028 0.000 1.045 4564 S CB 0.447 63.663 63.200 0.028 0.000 0.873 4564 S HN 0.436 nan 8.310 nan 0.000 0.516 4565 L N 3.158 124.413 121.223 0.053 0.000 2.575 4565 L HA 0.319 4.660 4.340 0.001 0.000 0.228 4565 L C 0.389 177.283 176.870 0.040 0.000 1.075 4565 L CA -0.063 54.814 54.840 0.061 0.000 0.867 4565 L CB -0.037 42.087 42.059 0.108 0.000 1.097 4565 L HN 0.607 nan 8.230 nan 0.000 0.485 4566 L N 2.668 123.911 121.223 0.034 0.000 2.615 4566 L HA -0.017 4.324 4.340 0.001 0.000 0.284 4566 L C -1.349 175.529 176.870 0.014 0.000 1.237 4566 L CA -0.955 53.895 54.840 0.017 0.000 0.905 4566 L CB -0.308 41.762 42.059 0.017 0.000 1.149 4566 L HN 0.025 nan 8.230 nan 0.000 0.499 4567 P HA -0.002 nan 4.420 nan 0.000 0.274 4567 P C -0.948 176.359 177.300 0.012 0.000 1.264 4567 P CA -0.358 62.741 63.100 -0.002 0.000 0.795 4567 P CB 0.491 32.174 31.700 -0.028 0.000 1.064 4568 D N -0.597 119.819 120.400 0.026 0.000 2.280 4568 D HA 0.359 5.000 4.640 0.001 0.000 0.236 4568 D C -1.235 175.067 176.300 0.003 0.000 1.082 4568 D CA -0.369 53.680 54.000 0.081 0.000 0.834 4568 D CB 0.414 41.314 40.800 0.167 0.000 1.100 4568 D HN -0.099 nan 8.370 nan 0.000 0.486 4569 V N 5.629 125.541 119.914 -0.003 0.000 2.525 4569 V HA 0.472 4.592 4.120 0.001 0.000 0.299 4569 V C -0.994 175.054 176.094 -0.077 0.000 1.034 4569 V CA -0.720 61.468 62.300 -0.187 0.000 0.863 4569 V CB 0.961 32.706 31.823 -0.129 0.000 0.999 4569 V HN 0.478 nan 8.190 nan 0.000 0.423 4570 Y N 1.444 121.731 120.300 -0.020 0.000 2.609 4570 Y HA 0.784 5.335 4.550 0.001 0.000 0.342 4570 Y C -0.155 175.772 175.900 0.044 0.000 1.058 4570 Y CA -1.851 56.265 58.100 0.026 0.000 1.055 4570 Y CB 1.101 39.601 38.460 0.066 0.000 1.292 4570 Y HN 0.710 nan 8.280 nan 0.000 0.476 4571 E N 0.820 121.166 120.200 0.243 0.000 2.259 4571 E HA 0.201 4.552 4.350 0.001 0.000 0.281 4571 E C -1.662 175.168 176.600 0.385 0.000 1.037 4571 E CA -0.345 56.179 56.400 0.208 0.000 0.854 4571 E CB 0.593 30.381 29.700 0.146 0.000 1.051 4571 E HN 0.604 nan 8.360 nan 0.000 0.409 4572 W N 5.477 126.833 121.300 0.093 0.000 2.335 4572 W HA 0.346 5.007 4.660 0.001 0.000 0.307 4572 W C -1.899 174.655 176.519 0.058 0.000 1.117 4572 W CA -2.314 55.091 57.345 0.101 0.000 1.228 4572 W CB 0.501 30.004 29.460 0.072 0.000 1.240 4572 W HN 0.642 nan 8.180 nan 0.000 0.468 4573 P HA 0.000 nan 4.420 nan 0.000 0.216 4573 P CA 0.000 63.138 63.100 0.063 0.000 0.800 4573 P CB 0.000 31.704 31.700 0.007 0.000 0.726