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 1mx1_1_D DATA FIRST_RESID 4022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 4022 S HA 0.000 nan 4.470 nan 0.000 0.327 4022 S C 0.000 174.674 174.600 0.123 0.000 1.055 4022 S CA 0.000 58.265 58.200 0.109 0.000 1.107 4022 S CB 0.000 63.246 63.200 0.076 0.000 0.593 4023 P HA 0.200 nan 4.420 nan 0.000 0.267 4023 P C -2.673 174.475 177.300 -0.253 0.000 1.195 4023 P CA -0.615 62.374 63.100 -0.186 0.000 0.773 4023 P CB -0.326 31.283 31.700 -0.153 0.000 0.837 4024 P HA 0.057 nan 4.420 nan 0.000 0.267 4024 P C -0.955 176.349 177.300 0.007 0.000 1.209 4024 P CA 0.303 63.227 63.100 -0.293 0.000 0.763 4024 P CB 0.405 31.831 31.700 -0.457 0.000 0.816 4025 V N 5.323 125.285 119.914 0.081 0.000 2.325 4025 V HA 0.206 4.327 4.120 0.002 0.000 0.280 4025 V C 0.178 176.319 176.094 0.078 0.000 1.016 4025 V CA -0.588 61.783 62.300 0.119 0.000 0.818 4025 V CB 1.707 33.579 31.823 0.081 0.000 1.019 4025 V HN 0.235 nan 8.190 nan 0.000 0.434 4026 V N 2.983 122.932 119.914 0.060 0.000 2.612 4026 V HA 0.456 4.578 4.120 0.002 0.000 0.301 4026 V C -0.157 175.875 176.094 -0.102 0.000 1.046 4026 V CA -0.539 61.653 62.300 -0.180 0.000 0.946 4026 V CB 2.153 33.561 31.823 -0.691 0.000 1.003 4026 V HN 0.773 nan 8.190 nan 0.000 0.459 4027 D N 2.582 122.892 120.400 -0.151 0.000 2.373 4027 D HA 0.384 5.025 4.640 0.002 0.000 0.227 4027 D C 0.163 176.395 176.300 -0.113 0.000 1.091 4027 D CA -0.034 53.918 54.000 -0.081 0.000 0.840 4027 D CB 1.562 42.314 40.800 -0.079 0.000 1.060 4027 D HN 0.797 nan 8.370 nan 0.000 0.502 4028 T N -0.720 113.818 114.554 -0.026 0.000 2.910 4028 T HA 0.280 4.631 4.350 0.002 0.000 0.279 4028 T C 1.640 176.246 174.700 -0.157 0.000 0.989 4028 T CA -0.651 61.433 62.100 -0.026 0.000 0.968 4028 T CB 0.902 69.918 68.868 0.247 0.000 1.135 4028 T HN 0.009 nan 8.240 nan 0.000 0.562 4029 V N 1.083 120.844 119.914 -0.255 0.000 2.343 4029 V HA -0.141 3.981 4.120 0.002 0.000 0.247 4029 V C 2.499 178.348 176.094 -0.408 0.000 1.051 4029 V CA 1.688 63.772 62.300 -0.360 0.000 1.036 4029 V CB -1.122 30.401 31.823 -0.499 0.000 0.654 4029 V HN 0.856 nan 8.190 nan 0.000 0.451 4030 H N -0.191 118.691 119.070 -0.312 0.000 2.548 4030 H HA 0.436 4.993 4.556 0.002 0.000 0.265 4030 H C 0.995 175.567 175.328 -1.261 0.000 0.969 4030 H CA 0.950 56.618 56.048 -0.634 0.000 1.155 4030 H CB 0.436 29.854 29.762 -0.573 0.000 1.394 4030 H HN 0.537 nan 8.280 nan 0.000 0.570 4031 G N 0.120 108.402 108.800 -0.864 0.000 2.361 4031 G HA2 0.044 4.006 3.960 0.002 0.000 0.305 4031 G HA3 0.044 4.006 3.960 0.002 0.000 0.305 4031 G C -1.353 173.559 174.900 0.020 0.000 1.367 4031 G CA -1.137 43.489 45.100 -0.791 0.000 0.951 4031 G HN 0.020 nan 8.290 nan 0.000 0.615 4032 K N -0.493 120.088 120.400 0.301 0.000 2.237 4032 K HA 0.569 4.891 4.320 0.002 0.000 0.270 4032 K C 0.232 177.162 176.600 0.549 0.000 1.015 4032 K CA -0.443 56.058 56.287 0.357 0.000 0.949 4032 K CB 1.788 34.432 32.500 0.240 0.000 0.976 4032 K HN 1.028 nan 8.250 nan 0.000 0.472 4033 V N 0.238 120.390 119.914 0.397 0.000 2.709 4033 V HA 0.524 4.645 4.120 0.002 0.000 0.308 4033 V C -1.109 175.197 176.094 0.353 0.000 1.062 4033 V CA -1.248 61.282 62.300 0.384 0.000 0.901 4033 V CB 1.525 33.628 31.823 0.467 0.000 1.003 4033 V HN 0.604 nan 8.190 nan 0.000 0.425 4034 L N 4.550 125.928 121.223 0.258 0.000 2.287 4034 L HA 0.983 5.324 4.340 0.002 0.000 0.287 4034 L C 0.464 177.362 176.870 0.046 0.000 1.022 4034 L CA 0.715 55.645 54.840 0.151 0.000 0.814 4034 L CB 1.061 43.151 42.059 0.052 0.000 1.217 4034 L HN 1.056 nan 8.230 nan 0.000 0.420 4035 G N 4.003 112.670 108.800 -0.222 0.000 3.008 4035 G HA2 0.643 4.605 3.960 0.002 0.000 0.181 4035 G HA3 0.643 4.605 3.960 0.002 0.000 0.181 4035 G C -1.364 173.175 174.900 -0.602 0.000 1.309 4035 G CA -0.607 44.029 45.100 -0.773 0.000 1.009 4035 G HN 0.744 nan 8.290 nan 0.000 0.584 4036 K N -1.240 118.754 120.400 -0.678 0.000 2.527 4036 K HA 0.560 4.882 4.320 0.002 0.000 0.260 4036 K C -1.768 174.614 176.600 -0.363 0.000 0.937 4036 K CA -0.822 55.209 56.287 -0.427 0.000 0.826 4036 K CB 1.915 34.268 32.500 -0.245 0.000 1.359 4036 K HN 0.304 nan 8.250 nan 0.000 0.434 4037 F N 1.375 121.257 119.950 -0.113 0.000 2.394 4037 F HA 0.455 4.983 4.527 0.002 0.000 0.340 4037 F C -0.269 175.516 175.800 -0.026 0.000 1.105 4037 F CA -0.877 57.090 58.000 -0.056 0.000 1.124 4037 F CB 1.992 40.979 39.000 -0.022 0.000 1.145 4037 F HN 0.099 nan 8.300 nan 0.000 0.505 4038 V N 2.647 122.703 119.914 0.237 0.000 2.612 4038 V HA 0.263 4.384 4.120 0.002 0.000 0.301 4038 V C -0.573 175.599 176.094 0.130 0.000 1.059 4038 V CA -0.785 61.604 62.300 0.148 0.000 0.886 4038 V CB 1.811 33.712 31.823 0.129 0.000 1.007 4038 V HN 0.737 nan 8.190 nan 0.000 0.426 4039 S N 4.220 119.979 115.700 0.099 0.000 2.617 4039 S HA 0.785 5.257 4.470 0.002 0.000 0.283 4039 S C -0.627 174.037 174.600 0.107 0.000 1.189 4039 S CA -0.401 57.851 58.200 0.086 0.000 1.036 4039 S CB 1.584 64.820 63.200 0.060 0.000 1.014 4039 S HN 0.550 nan 8.310 nan 0.000 0.522 4040 L N 1.948 123.251 121.223 0.133 0.000 2.362 4040 L HA 0.482 4.823 4.340 0.002 0.000 0.271 4040 L C -0.144 176.875 176.870 0.249 0.000 1.002 4040 L CA -0.482 54.465 54.840 0.177 0.000 0.818 4040 L CB 1.666 43.800 42.059 0.125 0.000 1.298 4040 L HN 0.680 nan 8.230 nan 0.000 0.420 4041 E N 2.610 122.942 120.200 0.219 0.000 2.417 4041 E HA 0.367 4.718 4.350 0.002 0.000 0.261 4041 E C 0.739 177.417 176.600 0.130 0.000 1.000 4041 E CA 1.232 57.728 56.400 0.161 0.000 0.919 4041 E CB 0.212 30.001 29.700 0.149 0.000 0.955 4041 E HN 0.908 nan 8.360 nan 0.000 0.455 4042 G N 3.781 112.541 108.800 -0.065 0.000 2.195 4042 G HA2 -0.236 3.725 3.960 0.002 0.000 0.224 4042 G HA3 -0.236 3.725 3.960 0.002 0.000 0.224 4042 G C -0.335 174.034 174.900 -0.884 0.000 0.990 4042 G CA -0.163 44.662 45.100 -0.458 0.000 0.639 4042 G HN 0.447 nan 8.290 nan 0.000 0.514 4043 F N 0.003 119.904 119.950 -0.082 0.000 2.536 4043 F HA 0.745 5.273 4.527 0.002 0.000 0.322 4043 F C 1.093 176.860 175.800 -0.056 0.000 1.144 4043 F CA -0.288 57.662 58.000 -0.084 0.000 0.924 4043 F CB 1.517 40.450 39.000 -0.111 0.000 1.181 4043 F HN 0.104 nan 8.300 nan 0.000 0.438 4044 A N 1.563 124.420 122.820 0.062 0.000 1.873 4044 A HA -0.133 4.189 4.320 0.002 0.000 0.215 4044 A C 1.230 178.825 177.584 0.018 0.000 1.186 4044 A CA 1.032 53.082 52.037 0.021 0.000 0.616 4044 A CB -0.466 18.529 19.000 -0.007 0.000 0.823 4044 A HN 0.681 nan 8.150 nan 0.000 0.442 4045 Q N 1.400 121.223 119.800 0.037 0.000 2.271 4045 Q HA 0.250 4.591 4.340 0.002 0.000 0.273 4045 Q C -2.395 173.603 176.000 -0.002 0.000 1.051 4045 Q CA -2.088 53.713 55.803 -0.003 0.000 0.901 4045 Q CB 0.453 29.206 28.738 0.025 0.000 1.174 4045 Q HN 0.377 nan 8.270 nan 0.000 0.385 4046 P HA 0.073 nan 4.420 nan 0.000 0.277 4046 P C -0.929 176.412 177.300 0.069 0.000 1.240 4046 P CA -0.349 62.723 63.100 -0.047 0.000 0.798 4046 P CB 0.977 32.556 31.700 -0.203 0.000 0.979 4047 V N 1.997 122.005 119.914 0.157 0.000 2.498 4047 V HA 0.362 4.483 4.120 0.002 0.000 0.279 4047 V C 0.865 177.162 176.094 0.339 0.000 1.048 4047 V CA -0.483 61.950 62.300 0.223 0.000 0.967 4047 V CB 0.705 32.634 31.823 0.177 0.000 0.988 4047 V HN 0.737 nan 8.190 nan 0.000 0.473 4048 A N 6.922 129.957 122.820 0.360 0.000 2.309 4048 A HA 0.731 5.052 4.320 0.002 0.000 0.290 4048 A C -0.408 177.195 177.584 0.032 0.000 1.206 4048 A CA -0.279 51.863 52.037 0.175 0.000 0.850 4048 A CB -0.044 19.144 19.000 0.314 0.000 1.118 4048 A HN 0.768 nan 8.150 nan 0.000 0.523 4049 I N 2.414 122.793 120.570 -0.319 0.000 2.406 4049 I HA 0.413 4.584 4.170 0.002 0.000 0.290 4049 I C -1.329 174.391 176.117 -0.663 0.000 0.999 4049 I CA -0.293 60.784 61.300 -0.371 0.000 1.124 4049 I CB 1.677 39.503 38.000 -0.290 0.000 1.289 4049 I HN 0.535 nan 8.210 nan 0.000 0.441 4050 F N 6.530 126.340 119.950 -0.233 0.000 2.477 4050 F HA 0.547 5.076 4.527 0.002 0.000 0.335 4050 F C -0.339 175.322 175.800 -0.233 0.000 1.130 4050 F CA -0.599 57.310 58.000 -0.152 0.000 0.948 4050 F CB 1.341 40.348 39.000 0.012 0.000 1.154 4050 F HN 0.103 nan 8.300 nan 0.000 0.439 4051 L N 2.649 123.800 121.223 -0.121 0.000 2.322 4051 L HA 0.706 5.048 4.340 0.002 0.000 0.281 4051 L C 0.639 177.439 176.870 -0.117 0.000 1.014 4051 L CA -0.933 53.798 54.840 -0.181 0.000 0.815 4051 L CB 1.681 43.490 42.059 -0.417 0.000 1.247 4051 L HN 0.894 nan 8.230 nan 0.000 0.421 4052 G N 3.618 112.383 108.800 -0.058 0.000 2.291 4052 G HA2 -0.229 3.732 3.960 0.002 0.000 0.271 4052 G HA3 -0.229 3.732 3.960 0.002 0.000 0.271 4052 G C -0.286 174.689 174.900 0.125 0.000 1.099 4052 G CA -0.476 44.587 45.100 -0.062 0.000 0.919 4052 G HN 0.492 nan 8.290 nan 0.000 0.496 4053 I N 2.205 122.846 120.570 0.118 0.000 2.352 4053 I HA 0.251 4.422 4.170 0.002 0.000 0.290 4053 I C -1.458 174.654 176.117 -0.008 0.000 1.036 4053 I CA -2.263 59.063 61.300 0.044 0.000 1.336 4053 I CB 1.384 39.321 38.000 -0.106 0.000 1.407 4053 I HN 0.015 nan 8.210 nan 0.000 0.497 4054 P HA 0.039 nan 4.420 nan 0.000 0.276 4054 P C -0.211 176.914 177.300 -0.292 0.000 1.243 4054 P CA -0.043 62.821 63.100 -0.393 0.000 0.768 4054 P CB 0.528 32.040 31.700 -0.313 0.000 0.856 4055 F N 1.479 121.191 119.950 -0.397 0.000 2.682 4055 F HA 0.733 5.261 4.527 0.002 0.000 0.308 4055 F C 0.090 175.867 175.800 -0.039 0.000 1.093 4055 F CA -0.948 56.856 58.000 -0.328 0.000 1.244 4055 F CB 0.117 38.864 39.000 -0.421 0.000 1.052 4055 F HN 0.378 nan 8.300 nan 0.000 0.573 4056 A N 0.497 123.048 122.820 -0.448 0.000 2.599 4056 A HA 0.517 4.838 4.320 0.002 0.000 0.290 4056 A C -1.317 176.075 177.584 -0.321 0.000 1.101 4056 A CA -1.147 50.721 52.037 -0.282 0.000 0.674 4056 A CB 0.852 19.654 19.000 -0.330 0.000 1.277 4056 A HN 0.184 nan 8.150 nan 0.000 0.419 4057 K N 0.700 120.984 120.400 -0.194 0.000 2.298 4057 K HA 0.446 4.767 4.320 0.002 0.000 0.280 4057 K C -2.471 174.005 176.600 -0.206 0.000 1.032 4057 K CA -1.517 54.667 56.287 -0.171 0.000 0.958 4057 K CB 0.388 32.827 32.500 -0.102 0.000 0.978 4057 K HN 0.331 nan 8.250 nan 0.000 0.472 4058 P HA -0.026 nan 4.420 nan 0.000 0.260 4058 P C -2.403 174.808 177.300 -0.148 0.000 1.185 4058 P CA -0.795 62.194 63.100 -0.184 0.000 0.763 4058 P CB 0.229 31.853 31.700 -0.127 0.000 0.776 4059 P HA 0.053 nan 4.420 nan 0.000 0.231 4059 P C -0.616 176.602 177.300 -0.137 0.000 1.756 4059 P CA 0.468 63.481 63.100 -0.145 0.000 0.990 4059 P CB 0.002 31.616 31.700 -0.143 0.000 1.973 4060 L N -0.374 120.779 121.223 -0.117 0.000 2.365 4060 L HA 0.616 4.958 4.340 0.002 0.000 0.267 4060 L C 1.679 178.490 176.870 -0.099 0.000 1.033 4060 L CA -0.459 54.322 54.840 -0.099 0.000 0.802 4060 L CB 0.487 42.499 42.059 -0.077 0.000 1.267 4060 L HN 0.275 nan 8.230 nan 0.000 0.457 4061 G N 1.259 110.006 108.800 -0.088 0.000 2.660 4061 G HA2 -0.293 3.668 3.960 0.002 0.000 0.321 4061 G HA3 -0.293 3.668 3.960 0.002 0.000 0.321 4061 G C -1.299 173.543 174.900 -0.096 0.000 1.246 4061 G CA 0.385 45.437 45.100 -0.079 0.000 1.000 4061 G HN 0.629 nan 8.290 nan 0.000 0.550 4062 P HA 0.058 nan 4.420 nan 0.000 0.230 4062 P C 1.866 179.111 177.300 -0.091 0.000 1.158 4062 P CA 1.155 64.222 63.100 -0.055 0.000 0.769 4062 P CB -0.098 31.588 31.700 -0.023 0.000 0.807 4063 L N -1.027 120.125 121.223 -0.119 0.000 2.599 4063 L HA 0.099 4.440 4.340 0.002 0.000 0.230 4063 L C 1.730 178.452 176.870 -0.247 0.000 1.141 4063 L CA -0.134 54.615 54.840 -0.153 0.000 0.877 4063 L CB -0.448 41.536 42.059 -0.125 0.000 1.009 4063 L HN -0.056 nan 8.230 nan 0.000 0.447 4064 R N 0.652 120.970 120.500 -0.304 0.000 2.491 4064 R HA 0.022 4.364 4.340 0.002 0.000 0.283 4064 R C -0.212 175.716 176.300 -0.620 0.000 1.072 4064 R CA -0.212 55.556 56.100 -0.553 0.000 1.048 4064 R CB 0.281 30.157 30.300 -0.706 0.000 0.983 4064 R HN 0.052 nan 8.270 nan 0.000 0.450 4065 F N 0.089 119.701 119.950 -0.563 0.000 3.043 4065 F HA -0.262 4.267 4.527 0.004 0.000 0.290 4065 F C 0.036 174.901 175.800 -1.558 0.000 0.844 4065 F CA 1.357 58.712 58.000 -1.075 0.000 1.184 4065 F CB -2.636 36.193 39.000 -0.286 0.000 1.246 4065 F HN 0.662 nan 8.300 nan 0.000 0.536 4066 T N -3.627 110.224 114.554 -1.173 0.000 2.883 4066 T HA 0.784 5.135 4.350 0.002 0.000 0.301 4066 T C -2.957 171.496 174.700 -0.412 0.000 1.158 4066 T CA -2.429 59.211 62.100 -0.767 0.000 1.007 4066 T CB 3.311 72.002 68.868 -0.296 0.000 1.186 4066 T HN -0.247 nan 8.240 nan 0.000 0.499 4067 P HA 0.230 nan 4.420 nan 0.000 0.268 4067 P C -2.324 175.021 177.300 0.075 0.000 1.208 4067 P CA -0.790 62.415 63.100 0.175 0.000 0.777 4067 P CB -0.291 31.529 31.700 0.200 0.000 0.875 4068 P HA 0.088 nan 4.420 nan 0.000 0.271 4068 P C -0.747 176.594 177.300 0.068 0.000 1.218 4068 P CA 0.163 63.308 63.100 0.075 0.000 0.780 4068 P CB 0.855 32.641 31.700 0.144 0.000 0.901 4069 Q N 2.076 121.890 119.800 0.025 0.000 2.351 4069 Q HA 0.455 4.797 4.340 0.002 0.000 0.273 4069 Q C -2.342 173.679 176.000 0.036 0.000 1.077 4069 Q CA -2.229 53.594 55.803 0.032 0.000 0.843 4069 Q CB 1.320 30.059 28.738 0.002 0.000 1.367 4069 Q HN 0.335 nan 8.270 nan 0.000 0.449 4070 P HA -0.041 nan 4.420 nan 0.000 0.267 4070 P C -1.298 175.980 177.300 -0.036 0.000 1.200 4070 P CA 0.201 63.350 63.100 0.083 0.000 0.772 4070 P CB 0.465 32.234 31.700 0.115 0.000 0.855 4071 A N 2.880 125.631 122.820 -0.115 0.000 2.407 4071 A HA 0.157 4.478 4.320 0.002 0.000 0.248 4071 A C 0.368 177.737 177.584 -0.358 0.000 1.082 4071 A CA -0.330 51.576 52.037 -0.218 0.000 0.785 4071 A CB -0.071 18.845 19.000 -0.140 0.000 1.020 4071 A HN 0.456 nan 8.150 nan 0.000 0.489 4072 E N 2.625 122.736 120.200 -0.149 0.000 2.360 4072 E HA 0.238 4.590 4.350 0.002 0.000 0.269 4072 E C -2.112 174.456 176.600 -0.052 0.000 1.022 4072 E CA -1.472 54.876 56.400 -0.086 0.000 0.887 4072 E CB 0.156 29.856 29.700 -0.001 0.000 0.990 4072 E HN 0.504 nan 8.360 nan 0.000 0.426 4073 P HA 0.135 nan 4.420 nan 0.000 0.272 4073 P C -0.744 176.584 177.300 0.048 0.000 1.240 4073 P CA -0.235 62.803 63.100 -0.105 0.000 0.791 4073 P CB 0.354 32.009 31.700 -0.075 0.000 0.978 4074 W N -0.321 120.999 121.300 0.034 0.000 2.962 4074 W HA 0.671 5.332 4.660 0.002 0.000 0.341 4074 W C -1.080 175.404 176.519 -0.059 0.000 1.155 4074 W CA -0.848 56.498 57.345 0.001 0.000 1.165 4074 W CB 0.196 29.683 29.460 0.044 0.000 1.435 4074 W HN 0.133 nan 8.180 nan 0.000 0.546 4075 S N 1.464 117.215 115.700 0.086 0.000 2.693 4075 S HA 0.720 5.192 4.470 0.002 0.000 0.276 4075 S C -0.284 174.250 174.600 -0.110 0.000 1.192 4075 S CA -0.191 57.821 58.200 -0.313 0.000 0.994 4075 S CB 0.342 63.003 63.200 -0.899 0.000 1.012 4075 S HN 0.631 nan 8.310 nan 0.000 0.550 4076 F N -1.511 118.549 119.950 0.183 0.000 2.183 4076 F HA -0.259 4.269 4.527 0.002 0.000 0.318 4076 F C -0.122 175.822 175.800 0.240 0.000 0.129 4076 F CA -0.060 58.040 58.000 0.166 0.000 0.912 4076 F CB -1.096 37.978 39.000 0.123 0.000 4.135 4076 F HN 0.310 nan 8.300 nan 0.000 0.137 4077 V N 0.732 120.892 119.914 0.410 0.000 2.417 4077 V HA 0.344 4.465 4.120 0.002 0.000 0.291 4077 V C -0.045 176.158 176.094 0.182 0.000 1.024 4077 V CA -0.882 61.596 62.300 0.296 0.000 0.861 4077 V CB 1.460 33.402 31.823 0.198 0.000 0.985 4077 V HN 0.487 nan 8.190 nan 0.000 0.436 4078 K N 3.966 124.433 120.400 0.113 0.000 2.258 4078 K HA 0.234 4.555 4.320 0.002 0.000 0.284 4078 K C -0.004 176.568 176.600 -0.048 0.000 1.051 4078 K CA -0.507 55.685 56.287 -0.158 0.000 0.923 4078 K CB 0.564 32.661 32.500 -0.672 0.000 1.046 4078 K HN 0.669 nan 8.250 nan 0.000 0.474 4079 N N 3.192 121.848 118.700 -0.073 0.000 2.402 4079 N HA 0.101 4.842 4.740 0.002 0.000 0.252 4079 N C -1.208 174.258 175.510 -0.073 0.000 1.118 4079 N CA -0.031 52.988 53.050 -0.052 0.000 0.945 4079 N CB 1.107 39.555 38.487 -0.065 0.000 1.147 4079 N HN 0.614 nan 8.380 nan 0.000 0.495 4080 A N 3.003 125.808 122.820 -0.026 0.000 3.249 4080 A HA 0.238 4.560 4.320 0.002 0.000 0.297 4080 A C 0.906 178.417 177.584 -0.122 0.000 1.302 4080 A CA -0.477 51.541 52.037 -0.033 0.000 1.074 4080 A CB -0.547 18.532 19.000 0.131 0.000 1.132 4080 A HN 0.639 nan 8.150 nan 0.000 0.575 4081 T N -3.640 110.813 114.554 -0.169 0.000 3.043 4081 T HA 0.300 4.652 4.350 0.002 0.000 0.272 4081 T C 0.429 174.966 174.700 -0.271 0.000 0.990 4081 T CA 0.077 62.040 62.100 -0.228 0.000 0.897 4081 T CB 0.125 68.885 68.868 -0.179 0.000 1.111 4081 T HN 0.183 nan 8.240 nan 0.000 0.529 4082 S N 0.985 116.534 115.700 -0.252 0.000 2.501 4082 S HA 0.631 5.103 4.470 0.002 0.000 0.301 4082 S C -1.138 173.291 174.600 -0.284 0.000 1.096 4082 S CA -0.683 57.376 58.200 -0.236 0.000 1.063 4082 S CB 0.667 63.777 63.200 -0.149 0.000 1.042 4082 S HN 0.341 nan 8.310 nan 0.000 0.494 4083 Y N 3.703 123.941 120.300 -0.103 0.000 2.526 4083 Y HA 0.218 4.770 4.550 0.002 0.000 0.330 4083 Y C -1.380 174.417 175.900 -0.172 0.000 1.156 4083 Y CA -1.234 56.804 58.100 -0.104 0.000 1.419 4083 Y CB 0.049 38.467 38.460 -0.070 0.000 1.250 4083 Y HN 0.423 nan 8.280 nan 0.000 0.540 4084 P HA 0.219 nan 4.420 nan 0.000 0.276 4084 P C -2.701 174.504 177.300 -0.160 0.000 1.252 4084 P CA -1.695 61.226 63.100 -0.299 0.000 0.802 4084 P CB 0.702 32.114 31.700 -0.481 0.000 1.035 4085 P HA 0.186 nan 4.420 nan 0.000 0.272 4085 P C -0.054 177.198 177.300 -0.081 0.000 1.240 4085 P CA -0.005 63.024 63.100 -0.119 0.000 0.791 4085 P CB 0.198 31.825 31.700 -0.121 0.000 0.978 4086 M N -0.180 119.365 119.600 -0.092 0.000 2.409 4086 M HA 0.486 4.967 4.480 0.002 0.000 0.329 4086 M C -0.782 175.441 176.300 -0.128 0.000 1.180 4086 M CA -0.627 54.616 55.300 -0.096 0.000 1.053 4086 M CB 0.756 33.285 32.600 -0.118 0.000 1.586 4086 M HN 0.107 nan 8.290 nan 0.000 0.461 4087 c N 1.991 120.510 118.600 -0.136 0.000 2.657 4087 c HA 0.152 4.723 4.570 0.002 0.000 0.420 4087 c C 0.866 174.784 174.090 -0.287 0.000 1.323 4087 c CA -0.200 56.004 56.329 -0.209 0.000 1.894 4087 c CB -0.394 42.012 42.510 -0.173 0.000 2.681 4087 c HN 0.881 nan 8.230 nan 0.000 0.613 4088 T N 4.421 118.673 114.554 -0.504 0.000 2.903 4088 T HA 0.255 4.606 4.350 0.002 0.000 0.299 4088 T C -0.054 174.429 174.700 -0.363 0.000 1.041 4088 T CA 0.504 62.244 62.100 -0.599 0.000 1.138 4088 T CB -0.174 67.913 68.868 -1.301 0.000 1.040 4088 T HN 0.899 nan 8.240 nan 0.000 0.524 4089 Q N 0.662 120.376 119.800 -0.144 0.000 2.829 4089 Q HA 0.261 4.602 4.340 0.002 0.000 0.296 4089 Q C -1.649 174.376 176.000 0.042 0.000 0.893 4089 Q CA -1.159 54.656 55.803 0.019 0.000 0.772 4089 Q CB 0.780 29.517 28.738 -0.002 0.000 1.489 4089 Q HN 0.410 nan 8.270 nan 0.000 0.420 4090 D N 2.502 122.954 120.400 0.087 0.000 2.455 4090 D HA -0.006 4.636 4.640 0.002 0.000 0.265 4090 D C -1.141 175.173 176.300 0.023 0.000 1.284 4090 D CA -0.913 53.130 54.000 0.071 0.000 0.944 4090 D CB 0.982 41.833 40.800 0.085 0.000 1.121 4090 D HN 0.334 nan 8.370 nan 0.000 0.525 4091 P HA -0.193 nan 4.420 nan 0.000 0.216 4091 P C 0.982 178.270 177.300 -0.020 0.000 1.150 4091 P CA 1.258 64.347 63.100 -0.017 0.000 0.843 4091 P CB 0.447 32.137 31.700 -0.017 0.000 0.787 4092 K N 0.052 120.447 120.400 -0.008 0.000 1.991 4092 K HA 0.016 4.337 4.320 0.002 0.000 0.207 4092 K C 2.505 179.093 176.600 -0.020 0.000 1.045 4092 K CA 1.314 57.593 56.287 -0.013 0.000 0.937 4092 K CB -0.740 31.757 32.500 -0.005 0.000 0.720 4092 K HN -0.009 nan 8.250 nan 0.000 0.438 4093 A N 1.517 124.331 122.820 -0.010 0.000 1.940 4093 A HA -0.124 4.197 4.320 0.002 0.000 0.219 4093 A C 2.401 179.962 177.584 -0.040 0.000 1.176 4093 A CA 2.048 54.073 52.037 -0.020 0.000 0.631 4093 A CB -1.314 17.689 19.000 0.004 0.000 0.814 4093 A HN 0.453 nan 8.150 nan 0.000 0.446 4094 G N -0.898 107.881 108.800 -0.034 0.000 2.433 4094 G HA2 -0.297 3.665 3.960 0.002 0.000 0.216 4094 G HA3 -0.297 3.665 3.960 0.002 0.000 0.216 4094 G C 1.641 176.495 174.900 -0.077 0.000 1.186 4094 G CA 1.140 46.206 45.100 -0.056 0.000 0.779 4094 G HN 0.635 nan 8.290 nan 0.000 0.543 4095 Q N -0.554 119.206 119.800 -0.067 0.000 2.119 4095 Q HA -0.046 4.296 4.340 0.002 0.000 0.201 4095 Q C 2.421 178.381 176.000 -0.067 0.000 0.972 4095 Q CA 1.131 56.891 55.803 -0.072 0.000 0.847 4095 Q CB -0.225 28.478 28.738 -0.058 0.000 0.903 4095 Q HN 0.385 nan 8.270 nan 0.000 0.433 4096 L N 0.495 121.683 121.223 -0.057 0.000 2.017 4096 L HA -0.147 4.194 4.340 0.002 0.000 0.208 4096 L C 2.105 178.928 176.870 -0.078 0.000 1.073 4096 L CA 1.551 56.362 54.840 -0.049 0.000 0.745 4096 L CB -0.769 41.264 42.059 -0.044 0.000 0.894 4096 L HN 0.436 nan 8.230 nan 0.000 0.432 4097 L N -1.247 119.899 121.223 -0.128 0.000 2.093 4097 L HA -0.122 4.219 4.340 0.002 0.000 0.208 4097 L C 2.594 179.337 176.870 -0.211 0.000 1.085 4097 L CA 2.057 56.752 54.840 -0.241 0.000 0.755 4097 L CB -1.048 40.853 42.059 -0.263 0.000 0.904 4097 L HN 0.426 nan 8.230 nan 0.000 0.435 4098 S N -0.632 114.981 115.700 -0.144 0.000 2.368 4098 S HA -0.203 4.268 4.470 0.002 0.000 0.225 4098 S C 1.847 176.385 174.600 -0.104 0.000 1.030 4098 S CA 1.544 59.655 58.200 -0.148 0.000 0.999 4098 S CB -0.293 62.813 63.200 -0.156 0.000 0.844 4098 S HN 0.674 nan 8.310 nan 0.000 0.459 4099 E N 0.552 120.717 120.200 -0.059 0.000 2.077 4099 E HA -0.094 4.258 4.350 0.002 0.000 0.193 4099 E C 2.097 178.750 176.600 0.087 0.000 0.989 4099 E CA 1.215 57.612 56.400 -0.004 0.000 0.800 4099 E CB -0.280 29.422 29.700 0.004 0.000 0.746 4099 E HN 0.499 nan 8.360 nan 0.000 0.452 4100 L N -0.271 121.022 121.223 0.117 0.000 2.217 4100 L HA -0.093 4.249 4.340 0.002 0.000 0.211 4100 L C 1.851 179.058 176.870 0.562 0.000 1.107 4100 L CA 0.575 55.592 54.840 0.295 0.000 0.783 4100 L CB -0.045 42.152 42.059 0.230 0.000 0.919 4100 L HN 0.086 nan 8.230 nan 0.000 0.442 4101 F N -1.069 118.866 119.950 -0.025 0.000 2.678 4101 F HA 0.136 4.665 4.527 0.002 0.000 0.291 4101 F C 1.654 177.160 175.800 -0.490 0.000 1.123 4101 F CA -0.507 57.355 58.000 -0.229 0.000 1.395 4101 F CB -0.522 38.357 39.000 -0.202 0.000 1.121 4101 F HN -0.186 nan 8.300 nan 0.000 0.592 4102 T N 1.890 116.315 114.554 -0.215 0.000 2.932 4102 T HA -0.037 4.315 4.350 0.002 0.000 0.312 4102 T C 1.258 175.796 174.700 -0.271 0.000 1.071 4102 T CA 0.023 61.897 62.100 -0.376 0.000 1.128 4102 T CB 0.328 69.037 68.868 -0.265 0.000 0.984 4102 T HN 0.367 nan 8.240 nan 0.000 0.549 4103 N N 3.691 122.176 118.700 -0.358 0.000 2.236 4103 N HA 0.029 4.770 4.740 0.002 0.000 0.196 4103 N C 0.371 175.770 175.510 -0.184 0.000 1.114 4103 N CA -0.372 52.523 53.050 -0.258 0.000 0.859 4103 N CB 0.063 38.380 38.487 -0.283 0.000 0.982 4103 N HN 0.731 nan 8.380 nan 0.000 0.493 4104 R N 0.174 120.580 120.500 -0.157 0.000 2.643 4104 R HA 0.425 4.766 4.340 0.002 0.000 0.272 4104 R C 0.568 176.831 176.300 -0.062 0.000 0.995 4104 R CA -0.813 55.231 56.100 -0.094 0.000 1.032 4104 R CB 1.693 31.944 30.300 -0.082 0.000 1.126 4104 R HN -0.303 nan 8.270 nan 0.000 0.505 4105 K N 0.425 120.810 120.400 -0.026 0.000 2.001 4105 K HA -0.191 4.130 4.320 0.002 0.000 0.223 4105 K C 0.443 177.037 176.600 -0.010 0.000 1.055 4105 K CA 2.121 58.407 56.287 -0.002 0.000 0.965 4105 K CB -0.182 32.327 32.500 0.015 0.000 0.730 4105 K HN 0.719 nan 8.250 nan 0.000 0.449 4106 E N 1.988 122.176 120.200 -0.021 0.000 2.175 4106 E HA 0.067 4.418 4.350 0.002 0.000 0.278 4106 E C -0.909 175.650 176.600 -0.068 0.000 0.969 4106 E CA -0.457 55.924 56.400 -0.032 0.000 0.796 4106 E CB 0.594 30.279 29.700 -0.024 0.000 1.104 4106 E HN 0.174 nan 8.360 nan 0.000 0.395 4107 N N 3.616 122.274 118.700 -0.071 0.000 2.492 4107 N HA 0.025 4.767 4.740 0.002 0.000 0.260 4107 N C -0.389 175.039 175.510 -0.136 0.000 1.215 4107 N CA -0.451 52.532 53.050 -0.111 0.000 0.923 4107 N CB 0.462 38.897 38.487 -0.088 0.000 1.092 4107 N HN 0.392 nan 8.380 nan 0.000 0.448 4108 I N 4.957 125.403 120.570 -0.207 0.000 2.312 4108 I HA 0.241 4.412 4.170 0.002 0.000 0.291 4108 I C -1.849 174.150 176.117 -0.197 0.000 1.031 4108 I CA -2.371 58.780 61.300 -0.249 0.000 1.293 4108 I CB 0.495 38.204 38.000 -0.485 0.000 1.403 4108 I HN 0.431 nan 8.210 nan 0.000 0.484 4109 P HA 0.304 nan 4.420 nan 0.000 0.271 4109 P C -0.853 176.382 177.300 -0.109 0.000 1.220 4109 P CA -0.130 62.908 63.100 -0.105 0.000 0.768 4109 P CB 1.182 32.838 31.700 -0.073 0.000 0.848 4110 L N 2.920 124.080 121.223 -0.105 0.000 2.319 4110 L HA 0.515 4.857 4.340 0.002 0.000 0.267 4110 L C 0.774 177.594 176.870 -0.082 0.000 1.011 4110 L CA -1.117 53.665 54.840 -0.097 0.000 0.818 4110 L CB 1.841 43.834 42.059 -0.111 0.000 1.316 4110 L HN 0.225 nan 8.230 nan 0.000 0.432 4111 K N 1.471 121.823 120.400 -0.080 0.000 2.098 4111 K HA 0.609 4.930 4.320 0.002 0.000 0.258 4111 K C -0.979 175.564 176.600 -0.095 0.000 0.973 4111 K CA -0.654 55.585 56.287 -0.079 0.000 0.898 4111 K CB 1.600 34.055 32.500 -0.075 0.000 1.057 4111 K HN 0.354 nan 8.250 nan 0.000 0.447 4112 L N 0.967 122.131 121.223 -0.099 0.000 2.399 4112 L HA 0.417 4.758 4.340 0.002 0.000 0.266 4112 L C 0.195 176.979 176.870 -0.144 0.000 1.114 4112 L CA -0.232 54.530 54.840 -0.130 0.000 0.804 4112 L CB 1.482 43.465 42.059 -0.127 0.000 1.146 4112 L HN 0.640 nan 8.230 nan 0.000 0.451 4113 S N -0.094 115.489 115.700 -0.195 0.000 2.608 4113 S HA 0.129 4.601 4.470 0.002 0.000 0.285 4113 S C -0.034 174.404 174.600 -0.270 0.000 1.108 4113 S CA -0.633 57.452 58.200 -0.192 0.000 0.858 4113 S CB 1.256 64.382 63.200 -0.123 0.000 1.077 4113 S HN 0.750 nan 8.310 nan 0.000 0.450 4114 E N 1.021 121.053 120.200 -0.280 0.000 2.285 4114 E HA -0.031 4.321 4.350 0.002 0.000 0.194 4114 E C -0.229 176.254 176.600 -0.194 0.000 0.997 4114 E CA 0.426 56.625 56.400 -0.334 0.000 0.845 4114 E CB 0.111 29.654 29.700 -0.261 0.000 0.782 4114 E HN 0.522 nan 8.360 nan 0.000 0.491 4115 D N 0.524 120.854 120.400 -0.117 0.000 2.517 4115 D HA -0.001 4.641 4.640 0.002 0.000 0.220 4115 D C 0.090 176.442 176.300 0.087 0.000 1.158 4115 D CA -0.356 53.621 54.000 -0.038 0.000 0.992 4115 D CB -0.101 40.700 40.800 0.002 0.000 1.058 4115 D HN 0.153 nan 8.370 nan 0.000 0.516 4116 c N 2.092 120.701 118.600 0.016 0.000 3.657 4116 c HA 0.392 4.963 4.570 0.002 0.000 0.291 4116 c C 0.721 174.847 174.090 0.060 0.000 1.572 4116 c CA -0.725 55.684 56.329 0.133 0.000 1.818 4116 c CB -1.370 41.134 42.510 -0.009 0.000 2.903 4116 c HN 0.421 nan 8.230 nan 0.000 0.632 4117 L N 2.507 123.530 121.223 -0.333 0.000 2.415 4117 L HA 0.358 4.699 4.340 0.002 0.000 0.269 4117 L C -0.803 175.431 176.870 -1.060 0.000 1.244 4117 L CA 0.615 55.056 54.840 -0.666 0.000 1.113 4117 L CB -0.813 40.700 42.059 -0.909 0.000 1.352 4117 L HN 0.391 nan 8.230 nan 0.000 0.433 4118 Y N 2.045 122.267 120.300 -0.129 0.000 2.605 4118 Y HA 0.701 5.252 4.550 0.002 0.000 0.343 4118 Y C -0.187 175.861 175.900 0.248 0.000 1.036 4118 Y CA -1.282 56.818 58.100 -0.000 0.000 1.065 4118 Y CB 1.970 40.401 38.460 -0.047 0.000 1.288 4118 Y HN 0.168 nan 8.280 nan 0.000 0.481 4119 L N -0.240 121.163 121.223 0.299 0.000 2.393 4119 L HA 0.752 5.093 4.340 0.002 0.000 0.260 4119 L C -1.425 175.510 176.870 0.107 0.000 1.002 4119 L CA -1.212 53.741 54.840 0.188 0.000 0.818 4119 L CB 1.700 43.784 42.059 0.041 0.000 1.369 4119 L HN 0.411 nan 8.230 nan 0.000 0.412 4120 N N 1.520 120.312 118.700 0.153 0.000 2.314 4120 N HA 0.725 5.467 4.740 0.002 0.000 0.304 4120 N C -1.196 174.369 175.510 0.092 0.000 1.073 4120 N CA -0.224 52.885 53.050 0.097 0.000 0.822 4120 N CB 2.563 41.166 38.487 0.194 0.000 1.280 4120 N HN 0.687 nan 8.380 nan 0.000 0.489 4121 I N 1.870 122.405 120.570 -0.058 0.000 2.465 4121 I HA 0.312 4.483 4.170 0.002 0.000 0.291 4121 I C -1.113 174.954 176.117 -0.084 0.000 1.014 4121 I CA -0.750 60.560 61.300 0.016 0.000 1.093 4121 I CB 1.145 39.080 38.000 -0.109 0.000 1.267 4121 I HN 0.325 nan 8.210 nan 0.000 0.431 4122 Y N 3.535 123.971 120.300 0.228 0.000 2.376 4122 Y HA 0.392 4.943 4.550 0.002 0.000 0.326 4122 Y C 0.334 176.367 175.900 0.222 0.000 0.970 4122 Y CA -0.735 57.497 58.100 0.220 0.000 1.248 4122 Y CB 1.919 40.486 38.460 0.179 0.000 1.117 4122 Y HN 0.374 nan 8.280 nan 0.000 0.476 4123 T N 5.008 119.778 114.554 0.360 0.000 2.812 4123 T HA 0.357 4.709 4.350 0.002 0.000 0.282 4123 T C -2.161 172.698 174.700 0.265 0.000 0.990 4123 T CA -2.353 59.935 62.100 0.313 0.000 0.960 4123 T CB 1.430 70.517 68.868 0.365 0.000 0.948 4123 T HN 0.361 nan 8.240 nan 0.000 0.438 4124 P HA 0.269 nan 4.420 nan 0.000 0.251 4124 P C 0.430 177.809 177.300 0.131 0.000 1.223 4124 P CA -0.131 63.046 63.100 0.129 0.000 0.796 4124 P CB 0.095 31.825 31.700 0.050 0.000 1.068 4125 A N 1.052 123.965 122.820 0.155 0.000 2.448 4125 A HA 0.087 4.408 4.320 0.002 0.000 0.239 4125 A C 0.019 177.693 177.584 0.149 0.000 1.080 4125 A CA 0.112 52.230 52.037 0.135 0.000 0.779 4125 A CB -0.483 18.599 19.000 0.137 0.000 1.026 4125 A HN 0.015 nan 8.150 nan 0.000 0.499 4126 D N 1.334 121.800 120.400 0.110 0.000 2.411 4126 D HA 0.333 4.974 4.640 0.002 0.000 0.225 4126 D C 0.882 177.250 176.300 0.113 0.000 1.156 4126 D CA -0.140 53.924 54.000 0.106 0.000 0.874 4126 D CB -0.008 40.830 40.800 0.062 0.000 1.034 4126 D HN 0.388 nan 8.370 nan 0.000 0.502 4127 L N 2.568 123.887 121.223 0.160 0.000 2.450 4127 L HA -0.088 4.254 4.340 0.002 0.000 0.224 4127 L C 2.111 179.030 176.870 0.083 0.000 1.149 4127 L CA 1.202 56.116 54.840 0.122 0.000 0.816 4127 L CB -0.733 41.422 42.059 0.160 0.000 0.932 4127 L HN 0.517 nan 8.230 nan 0.000 0.449 4128 T N -4.096 110.511 114.554 0.089 0.000 3.148 4128 T HA 0.098 4.449 4.350 0.002 0.000 0.253 4128 T C 0.801 175.524 174.700 0.039 0.000 1.134 4128 T CA 0.127 62.264 62.100 0.062 0.000 1.051 4128 T CB 0.189 69.096 68.868 0.064 0.000 0.959 4128 T HN 0.260 nan 8.240 nan 0.000 0.525 4129 K N 0.102 120.525 120.400 0.038 0.000 2.149 4129 K HA 0.566 4.887 4.320 0.002 0.000 0.241 4129 K C -1.019 175.594 176.600 0.021 0.000 1.083 4129 K CA -1.100 55.203 56.287 0.026 0.000 0.885 4129 K CB 1.480 33.996 32.500 0.027 0.000 1.374 4129 K HN -0.068 nan 8.250 nan 0.000 0.511 4130 K N 1.643 122.052 120.400 0.016 0.000 2.274 4130 K HA 0.272 4.593 4.320 0.002 0.000 0.262 4130 K C -1.132 175.479 176.600 0.019 0.000 0.961 4130 K CA -0.397 55.897 56.287 0.011 0.000 0.833 4130 K CB 0.753 33.254 32.500 0.002 0.000 1.102 4130 K HN 0.455 nan 8.250 nan 0.000 0.436 4131 N N 2.782 121.497 118.700 0.026 0.000 2.312 4131 N HA 0.433 5.175 4.740 0.002 0.000 0.296 4131 N C -1.076 174.453 175.510 0.032 0.000 1.193 4131 N CA -0.769 52.301 53.050 0.034 0.000 0.773 4131 N CB 1.764 40.284 38.487 0.054 0.000 1.435 4131 N HN 0.455 nan 8.380 nan 0.000 0.484 4132 R N 1.698 122.215 120.500 0.029 0.000 2.638 4132 R HA 0.345 4.686 4.340 0.002 0.000 0.261 4132 R C -0.580 175.735 176.300 0.026 0.000 1.515 4132 R CA -0.273 55.841 56.100 0.023 0.000 1.623 4132 R CB 0.221 30.523 30.300 0.004 0.000 1.347 4132 R HN 0.498 nan 8.270 nan 0.000 0.705 4133 L N 2.511 123.762 121.223 0.046 0.000 2.436 4133 L HA 0.398 4.739 4.340 0.002 0.000 0.265 4133 L C -1.604 175.294 176.870 0.047 0.000 1.168 4133 L CA -1.805 53.063 54.840 0.046 0.000 0.815 4133 L CB 0.310 42.408 42.059 0.064 0.000 1.109 4133 L HN -0.053 nan 8.230 nan 0.000 0.462 4134 P HA 0.041 nan 4.420 nan 0.000 0.269 4134 P C -0.872 176.468 177.300 0.066 0.000 1.215 4134 P CA -0.117 63.003 63.100 0.034 0.000 0.780 4134 P CB 0.972 32.677 31.700 0.008 0.000 0.898 4135 V N 3.939 123.906 119.914 0.088 0.000 2.459 4135 V HA 0.390 4.511 4.120 0.002 0.000 0.295 4135 V C 0.492 176.668 176.094 0.136 0.000 1.029 4135 V CA -0.399 61.977 62.300 0.128 0.000 0.874 4135 V CB 1.309 33.222 31.823 0.150 0.000 0.985 4135 V HN 0.482 nan 8.190 nan 0.000 0.438 4136 M N 4.815 124.514 119.600 0.165 0.000 2.125 4136 M HA 0.499 4.980 4.480 0.002 0.000 0.321 4136 M C -1.127 175.469 176.300 0.492 0.000 0.983 4136 M CA -0.608 54.811 55.300 0.198 0.000 0.934 4136 M CB 1.963 34.522 32.600 -0.068 0.000 1.542 4136 M HN 0.369 nan 8.290 nan 0.000 0.424 4137 V N 3.418 123.647 119.914 0.524 0.000 2.350 4137 V HA 0.289 4.411 4.120 0.002 0.000 0.276 4137 V C -0.575 175.800 176.094 0.469 0.000 1.028 4137 V CA -0.603 61.962 62.300 0.442 0.000 0.860 4137 V CB 1.136 33.093 31.823 0.224 0.000 0.990 4137 V HN 0.845 nan 8.190 nan 0.000 0.453 4138 W N 6.937 128.301 121.300 0.107 0.000 2.351 4138 W HA 0.603 5.265 4.660 0.003 0.000 0.311 4138 W C -1.203 175.205 176.519 -0.184 0.000 1.168 4138 W CA -0.795 56.342 57.345 -0.346 0.000 1.200 4138 W CB 1.211 30.511 29.460 -0.267 0.000 1.221 4138 W HN 0.444 nan 8.180 nan 0.000 0.519 4139 I N 8.041 127.869 120.570 -1.237 0.000 2.390 4139 I HA 0.048 4.220 4.170 0.002 0.000 0.283 4139 I C 0.970 176.335 176.117 -1.253 0.000 1.016 4139 I CA -0.799 59.973 61.300 -0.880 0.000 1.151 4139 I CB 0.830 38.465 38.000 -0.609 0.000 1.293 4139 I HN 0.404 nan 8.210 nan 0.000 0.458 4140 H N 4.706 123.363 119.070 -0.688 0.000 2.822 4140 H HA 0.353 4.910 4.556 0.002 0.000 0.373 4140 H C 0.005 175.316 175.328 -0.027 0.000 1.223 4140 H CA -0.317 55.547 56.048 -0.306 0.000 1.436 4140 H CB 0.924 30.771 29.762 0.143 0.000 1.439 4140 H HN 0.592 nan 8.280 nan 0.000 0.618 4141 G N -1.745 107.210 108.800 0.258 0.000 2.557 4141 G HA2 0.467 4.429 3.960 0.002 0.000 0.302 4141 G HA3 0.467 4.429 3.960 0.002 0.000 0.302 4141 G C 0.301 175.431 174.900 0.384 0.000 1.311 4141 G CA -0.698 44.560 45.100 0.264 0.000 1.030 4141 G HN 1.160 nan 8.290 nan 0.000 0.509 4142 G N -2.668 106.289 108.800 0.260 0.000 2.332 4142 G HA2 0.414 4.375 3.960 0.002 0.000 0.216 4142 G HA3 0.414 4.375 3.960 0.002 0.000 0.216 4142 G C 1.012 175.988 174.900 0.126 0.000 1.041 4142 G CA 0.727 45.940 45.100 0.188 0.000 0.836 4142 G HN 2.284 nan 8.290 nan 0.000 0.530 4143 G N 0.088 108.955 108.800 0.113 0.000 2.212 4143 G HA2 -0.208 3.753 3.960 0.002 0.000 0.267 4143 G HA3 -0.208 3.753 3.960 0.002 0.000 0.267 4143 G C 1.178 176.060 174.900 -0.031 0.000 1.002 4143 G CA 0.854 45.979 45.100 0.042 0.000 0.729 4143 G HN 1.763 nan 8.290 nan 0.000 0.517 4144 L N -3.557 117.676 121.223 0.017 0.000 4.696 4144 L HA -0.266 4.075 4.340 0.002 0.000 0.425 4144 L C 1.983 178.891 176.870 0.065 0.000 1.115 4144 L CA 1.577 56.413 54.840 -0.005 0.000 0.996 4144 L CB -1.444 40.335 42.059 -0.467 0.000 2.077 4144 L HN 0.422 nan 8.230 nan 0.000 0.792 4145 M N -1.389 118.248 119.600 0.061 0.000 2.638 4145 M HA 0.328 4.810 4.480 0.002 0.000 0.256 4145 M C 0.838 177.195 176.300 0.095 0.000 1.282 4145 M CA 1.224 56.566 55.300 0.069 0.000 1.155 4145 M CB 0.582 33.196 32.600 0.024 0.000 1.345 4145 M HN 0.241 nan 8.290 nan 0.000 0.523 4146 V N -2.938 117.031 119.914 0.091 0.000 3.103 4146 V HA 1.046 5.167 4.120 0.002 0.000 0.311 4146 V C -0.234 175.918 176.094 0.098 0.000 1.322 4146 V CA -0.266 62.071 62.300 0.061 0.000 1.063 4146 V CB 1.176 33.016 31.823 0.028 0.000 1.090 4146 V HN 0.505 nan 8.190 nan 0.000 0.462 4147 G N -0.997 107.798 108.800 -0.009 0.000 2.459 4147 G HA2 0.596 4.558 3.960 0.002 0.000 0.685 4147 G HA3 0.596 4.558 3.960 0.002 0.000 0.685 4147 G C -0.639 173.934 174.900 -0.545 0.000 1.303 4147 G CA -0.178 44.839 45.100 -0.139 0.000 0.907 4147 G HN 2.700 nan 8.290 nan 0.000 0.632 4148 A N -0.882 121.473 122.820 -0.775 0.000 2.604 4148 A HA 1.041 5.362 4.320 0.002 0.000 0.295 4148 A C 0.771 178.223 177.584 -0.222 0.000 1.067 4148 A CA 0.700 52.425 52.037 -0.519 0.000 0.683 4148 A CB 0.935 19.803 19.000 -0.219 0.000 1.281 4148 A HN 2.561 nan 8.150 nan 0.000 0.407 4149 A N 0.447 123.291 122.820 0.040 0.000 1.897 4149 A HA 0.106 4.427 4.320 0.002 0.000 0.215 4149 A C 2.018 179.783 177.584 0.301 0.000 1.181 4149 A CA 2.304 54.530 52.037 0.314 0.000 0.620 4149 A CB -0.803 18.395 19.000 0.330 0.000 0.821 4149 A HN 1.169 nan 8.150 nan 0.000 0.443 4150 S N -0.052 115.751 115.700 0.172 0.000 2.465 4150 S HA -0.123 4.348 4.470 0.002 0.000 0.241 4150 S C 1.818 176.376 174.600 -0.071 0.000 1.000 4150 S CA 1.547 59.822 58.200 0.126 0.000 0.964 4150 S CB -0.525 62.704 63.200 0.048 0.000 0.763 4150 S HN 0.693 nan 8.310 nan 0.000 0.512 4151 T N 0.797 115.270 114.554 -0.135 0.000 2.833 4151 T HA -0.067 4.285 4.350 0.002 0.000 0.269 4151 T C -0.037 174.272 174.700 -0.651 0.000 1.054 4151 T CA 1.068 62.908 62.100 -0.432 0.000 1.135 4151 T CB -0.239 68.256 68.868 -0.621 0.000 0.869 4151 T HN 0.411 nan 8.240 nan 0.000 0.466 4152 Y N 1.515 121.650 120.300 -0.275 0.000 2.353 4152 Y HA 0.463 5.015 4.550 0.002 0.000 0.340 4152 Y C -0.022 175.658 175.900 -0.367 0.000 0.972 4152 Y CA -2.200 55.565 58.100 -0.557 0.000 1.157 4152 Y CB 0.519 38.357 38.460 -1.037 0.000 1.157 4152 Y HN -0.114 nan 8.280 nan 0.000 0.495 4153 D N 2.251 122.500 120.400 -0.253 0.000 2.313 4153 D HA 0.213 4.854 4.640 0.002 0.000 0.239 4153 D C 0.926 177.002 176.300 -0.374 0.000 1.142 4153 D CA -0.147 53.707 54.000 -0.244 0.000 0.847 4153 D CB 1.575 42.317 40.800 -0.097 0.000 1.082 4153 D HN 0.854 nan 8.370 nan 0.000 0.480 4154 G N 3.171 111.335 108.800 -1.060 0.000 3.088 4154 G HA2 -0.095 3.867 3.960 0.002 0.000 0.212 4154 G HA3 -0.095 3.867 3.960 0.002 0.000 0.212 4154 G C 1.315 175.999 174.900 -0.360 0.000 1.173 4154 G CA -0.106 44.597 45.100 -0.662 0.000 0.779 4154 G HN 0.485 nan 8.290 nan 0.000 0.540 4155 L N 1.629 122.702 121.223 -0.251 0.000 1.990 4155 L HA -0.027 4.314 4.340 0.002 0.000 0.213 4155 L C 2.933 179.794 176.870 -0.015 0.000 1.072 4155 L CA 2.559 57.419 54.840 0.033 0.000 0.755 4155 L CB -0.707 41.416 42.059 0.107 0.000 0.889 4155 L HN 0.202 nan 8.230 nan 0.000 0.432 4156 A N -0.771 122.043 122.820 -0.009 0.000 1.858 4156 A HA -0.213 4.109 4.320 0.002 0.000 0.216 4156 A C 2.261 179.806 177.584 -0.065 0.000 1.190 4156 A CA 2.005 54.043 52.037 0.001 0.000 0.617 4156 A CB -1.184 17.846 19.000 0.050 0.000 0.827 4156 A HN 0.520 nan 8.150 nan 0.000 0.443 4157 L N -0.167 121.000 121.223 -0.094 0.000 2.042 4157 L HA -0.092 4.250 4.340 0.002 0.000 0.210 4157 L C 2.645 179.465 176.870 -0.084 0.000 1.076 4157 L CA 2.334 57.098 54.840 -0.127 0.000 0.749 4157 L CB -0.926 41.014 42.059 -0.199 0.000 0.893 4157 L HN 0.365 nan 8.230 nan 0.000 0.432 4158 A N -0.412 122.378 122.820 -0.050 0.000 1.858 4158 A HA -0.116 4.205 4.320 0.002 0.000 0.216 4158 A C 2.459 179.980 177.584 -0.105 0.000 1.190 4158 A CA 2.179 54.210 52.037 -0.011 0.000 0.617 4158 A CB -1.320 17.736 19.000 0.093 0.000 0.827 4158 A HN 0.599 nan 8.150 nan 0.000 0.443 4159 A N -1.436 121.242 122.820 -0.237 0.000 1.873 4159 A HA -0.186 4.136 4.320 0.002 0.000 0.215 4159 A C 2.076 179.189 177.584 -0.785 0.000 1.186 4159 A CA 1.526 53.213 52.037 -0.584 0.000 0.616 4159 A CB -1.013 17.458 19.000 -0.881 0.000 0.823 4159 A HN 0.681 nan 8.150 nan 0.000 0.442 4160 H N -0.838 117.843 119.070 -0.648 0.000 2.456 4160 H HA -0.031 4.526 4.556 0.002 0.000 0.296 4160 H C 0.884 176.129 175.328 -0.138 0.000 1.079 4160 H CA 1.527 57.360 56.048 -0.359 0.000 1.322 4160 H CB 0.336 29.893 29.762 -0.342 0.000 1.388 4160 H HN 0.448 nan 8.280 nan 0.000 0.538 4161 E N -0.111 120.071 120.200 -0.030 0.000 2.562 4161 E HA 0.038 4.389 4.350 0.002 0.000 0.214 4161 E C -0.279 176.321 176.600 -0.000 0.000 0.979 4161 E CA -0.239 56.161 56.400 0.001 0.000 1.002 4161 E CB 0.109 29.808 29.700 -0.001 0.000 1.048 4161 E HN 0.379 nan 8.360 nan 0.000 0.488 4162 N N 0.389 119.077 118.700 -0.019 0.000 2.708 4162 N HA -0.165 4.576 4.740 0.002 0.000 0.255 4162 N C -0.773 174.753 175.510 0.027 0.000 1.046 4162 N CA 0.682 53.737 53.050 0.008 0.000 0.715 4162 N CB -0.830 37.671 38.487 0.024 0.000 0.895 4162 N HN 0.076 nan 8.380 nan 0.000 0.545 4163 V N -3.629 116.305 119.914 0.032 0.000 3.007 4163 V HA 0.773 4.895 4.120 0.002 0.000 0.311 4163 V C 0.287 176.439 176.094 0.096 0.000 1.120 4163 V CA -0.977 61.355 62.300 0.053 0.000 0.980 4163 V CB 2.238 34.078 31.823 0.029 0.000 1.033 4163 V HN -0.142 nan 8.190 nan 0.000 0.429 4164 V N 3.376 123.366 119.914 0.128 0.000 2.432 4164 V HA 0.412 4.533 4.120 0.002 0.000 0.271 4164 V C 0.130 176.353 176.094 0.215 0.000 1.046 4164 V CA -0.233 62.178 62.300 0.185 0.000 0.945 4164 V CB 1.299 33.235 31.823 0.188 0.000 0.992 4164 V HN 0.746 nan 8.190 nan 0.000 0.471 4165 V N 6.311 126.394 119.914 0.281 0.000 2.394 4165 V HA 0.452 4.573 4.120 0.002 0.000 0.282 4165 V C -0.114 176.238 176.094 0.430 0.000 1.031 4165 V CA -0.460 62.047 62.300 0.345 0.000 0.881 4165 V CB 1.758 33.761 31.823 0.300 0.000 0.982 4165 V HN 0.602 nan 8.190 nan 0.000 0.451 4166 V N 4.169 124.325 119.914 0.404 0.000 2.487 4166 V HA 0.553 4.674 4.120 0.002 0.000 0.298 4166 V C 0.178 176.510 176.094 0.397 0.000 1.028 4166 V CA -0.513 61.999 62.300 0.354 0.000 0.860 4166 V CB 2.174 34.148 31.823 0.251 0.000 0.991 4166 V HN 0.986 nan 8.190 nan 0.000 0.427 4167 T N 3.647 118.442 114.554 0.402 0.000 2.779 4167 T HA 0.804 5.155 4.350 0.002 0.000 0.280 4167 T C -0.420 174.468 174.700 0.313 0.000 0.987 4167 T CA -0.509 61.843 62.100 0.419 0.000 0.966 4167 T CB 1.372 70.528 68.868 0.479 0.000 0.933 4167 T HN 0.669 nan 8.240 nan 0.000 0.442 4168 I N 0.085 120.817 120.570 0.271 0.000 2.863 4168 I HA 0.685 4.857 4.170 0.002 0.000 0.311 4168 I C -0.716 175.621 176.117 0.366 0.000 1.026 4168 I CA -1.295 60.146 61.300 0.234 0.000 1.077 4168 I CB 2.111 40.142 38.000 0.051 0.000 1.262 4168 I HN 0.565 nan 8.210 nan 0.000 0.461 4169 Q N 1.872 121.924 119.800 0.420 0.000 2.416 4169 Q HA 0.616 4.957 4.340 0.002 0.000 0.279 4169 Q C -1.948 174.346 176.000 0.490 0.000 1.101 4169 Q CA -0.814 55.228 55.803 0.398 0.000 0.830 4169 Q CB 2.944 31.845 28.738 0.272 0.000 1.402 4169 Q HN 0.730 nan 8.270 nan 0.000 0.445 4170 Y N -2.907 117.550 120.300 0.262 0.000 2.565 4170 Y HA 0.479 5.031 4.550 0.002 0.000 0.330 4170 Y C -1.069 174.920 175.900 0.149 0.000 1.150 4170 Y CA -1.404 56.816 58.100 0.200 0.000 1.055 4170 Y CB 0.713 39.257 38.460 0.141 0.000 1.337 4170 Y HN 0.426 nan 8.280 nan 0.000 0.457 4171 R N 2.368 122.982 120.500 0.189 0.000 2.583 4171 R HA 0.307 4.648 4.340 0.002 0.000 0.274 4171 R C -0.795 175.614 176.300 0.181 0.000 0.998 4171 R CA 0.314 56.481 56.100 0.110 0.000 1.081 4171 R CB 0.176 30.550 30.300 0.123 0.000 0.940 4171 R HN 0.680 nan 8.270 nan 0.000 0.413 4172 L N 1.283 122.623 121.223 0.197 0.000 2.286 4172 L HA 0.482 4.824 4.340 0.002 0.000 0.265 4172 L C 1.409 178.564 176.870 0.474 0.000 1.012 4172 L CA -0.467 54.580 54.840 0.345 0.000 0.818 4172 L CB 1.396 43.553 42.059 0.162 0.000 1.337 4172 L HN 0.892 nan 8.230 nan 0.000 0.438 4173 G N 0.499 109.566 108.800 0.445 0.000 2.661 4173 G HA2 -0.352 3.610 3.960 0.002 0.000 0.327 4173 G HA3 -0.352 3.610 3.960 0.002 0.000 0.327 4173 G C 0.886 176.012 174.900 0.376 0.000 1.320 4173 G CA 0.780 46.069 45.100 0.314 0.000 0.997 4173 G HN 0.651 nan 8.290 nan 0.000 0.543 4174 I N -0.497 120.215 120.570 0.236 0.000 2.151 4174 I HA -0.202 3.970 4.170 0.002 0.000 0.243 4174 I C 2.831 179.143 176.117 0.325 0.000 1.080 4174 I CA 2.401 63.783 61.300 0.135 0.000 1.339 4174 I CB -0.346 37.479 38.000 -0.291 0.000 1.039 4174 I HN 0.562 nan 8.210 nan 0.000 0.409 4175 W N 0.581 122.041 121.300 0.266 0.000 2.374 4175 W HA -0.087 4.575 4.660 0.004 0.000 0.288 4175 W C 2.310 178.952 176.519 0.204 0.000 1.218 4175 W CA 1.129 58.566 57.345 0.152 0.000 1.245 4175 W CB -0.773 28.679 29.460 -0.013 0.000 1.126 4175 W HN 0.255 nan 8.180 nan 0.000 0.545 4176 G N -2.136 106.891 108.800 0.377 0.000 2.796 4176 G HA2 0.044 4.005 3.960 0.002 0.000 0.210 4176 G HA3 0.044 4.005 3.960 0.002 0.000 0.210 4176 G C 0.611 175.033 174.900 -0.795 0.000 1.146 4176 G CA 0.137 45.157 45.100 -0.133 0.000 0.779 4176 G HN 0.144 nan 8.290 nan 0.000 0.535 4177 F N -0.954 119.188 119.950 0.320 0.000 2.936 4177 F HA 0.390 4.918 4.527 0.002 0.000 0.334 4177 F C 0.064 175.922 175.800 0.097 0.000 1.170 4177 F CA -1.640 56.412 58.000 0.087 0.000 1.104 4177 F CB 0.185 39.175 39.000 -0.017 0.000 1.216 4177 F HN -0.004 nan 8.300 nan 0.000 0.518 4178 F N 2.264 122.362 119.950 0.246 0.000 2.541 4178 F HA 0.387 4.916 4.527 0.002 0.000 0.378 4178 F C 0.436 176.263 175.800 0.045 0.000 1.068 4178 F CA 0.318 58.371 58.000 0.089 0.000 1.199 4178 F CB 0.425 39.373 39.000 -0.087 0.000 1.091 4178 F HN -0.064 nan 8.300 nan 0.000 0.555 4179 S N 3.645 118.896 115.700 -0.750 0.000 2.521 4179 S HA 0.342 4.814 4.470 0.002 0.000 0.295 4179 S C 0.477 174.647 174.600 -0.716 0.000 1.098 4179 S CA -0.102 57.734 58.200 -0.607 0.000 0.999 4179 S CB 1.434 64.438 63.200 -0.327 0.000 1.034 4179 S HN 0.800 nan 8.310 nan 0.000 0.483 4180 T N 0.790 115.055 114.554 -0.483 0.000 3.086 4180 T HA 0.384 4.735 4.350 0.002 0.000 0.250 4180 T C 1.456 176.068 174.700 -0.147 0.000 1.074 4180 T CA 0.594 62.519 62.100 -0.291 0.000 0.988 4180 T CB -0.016 68.785 68.868 -0.112 0.000 0.988 4180 T HN 1.650 nan 8.240 nan 0.000 0.530 4181 G N 2.099 110.808 108.800 -0.151 0.000 2.179 4181 G HA2 -0.212 3.750 3.960 0.002 0.000 0.260 4181 G HA3 -0.212 3.750 3.960 0.002 0.000 0.260 4181 G C -0.223 174.641 174.900 -0.060 0.000 0.977 4181 G CA 0.384 45.426 45.100 -0.097 0.000 0.641 4181 G HN 0.917 nan 8.290 nan 0.000 0.533 4182 D N -1.615 118.761 120.400 -0.040 0.000 2.837 4182 D HA 0.474 5.115 4.640 0.002 0.000 0.294 4182 D C 1.363 177.641 176.300 -0.037 0.000 1.158 4182 D CA 0.011 53.995 54.000 -0.027 0.000 1.073 4182 D CB -0.307 40.499 40.800 0.010 0.000 1.419 4182 D HN 0.107 nan 8.370 nan 0.000 0.584 4183 E N -0.250 119.888 120.200 -0.104 0.000 2.333 4183 E HA -0.234 4.117 4.350 0.002 0.000 0.198 4183 E C 0.991 177.516 176.600 -0.125 0.000 1.007 4183 E CA 1.206 57.525 56.400 -0.134 0.000 0.845 4183 E CB -0.601 28.977 29.700 -0.202 0.000 0.766 4183 E HN 0.519 nan 8.360 nan 0.000 0.507 4184 H N 0.414 119.534 119.070 0.083 0.000 2.495 4184 H HA 0.134 4.691 4.556 0.002 0.000 0.287 4184 H C 0.384 175.819 175.328 0.177 0.000 1.033 4184 H CA 1.223 57.337 56.048 0.111 0.000 1.307 4184 H CB 0.428 30.240 29.762 0.083 0.000 1.401 4184 H HN 0.106 nan 8.280 nan 0.000 0.555 4185 S N -0.209 115.651 115.700 0.268 0.000 2.548 4185 S HA 0.204 4.675 4.470 0.002 0.000 0.168 4185 S C 0.825 175.532 174.600 0.179 0.000 1.068 4185 S CA -0.600 57.837 58.200 0.394 0.000 1.129 4185 S CB 0.314 63.676 63.200 0.271 0.000 1.435 4185 S HN 0.167 nan 8.310 nan 0.000 0.410 4186 R N 1.640 122.218 120.500 0.130 0.000 2.096 4186 R HA 0.131 4.472 4.340 0.002 0.000 0.240 4186 R C 1.405 177.443 176.300 -0.437 0.000 1.139 4186 R CA 1.409 57.408 56.100 -0.170 0.000 0.952 4186 R CB -0.287 29.916 30.300 -0.162 0.000 0.854 4186 R HN 0.859 nan 8.270 nan 0.000 0.436 4187 G N -0.848 107.336 108.800 -1.025 0.000 2.422 4187 G HA2 -0.195 3.767 3.960 0.002 0.000 0.607 4187 G HA3 -0.195 3.767 3.960 0.002 0.000 0.607 4187 G C -0.634 173.518 174.900 -1.246 0.000 1.270 4187 G CA -0.373 44.064 45.100 -1.105 0.000 0.992 4187 G HN 0.248 nan 8.290 nan 0.000 0.499 4188 N N -1.187 117.121 118.700 -0.655 0.000 2.741 4188 N HA -0.204 4.538 4.740 0.002 0.000 0.251 4188 N C 1.252 176.520 175.510 -0.403 0.000 1.112 4188 N CA 1.997 54.852 53.050 -0.324 0.000 0.750 4188 N CB -1.560 36.886 38.487 -0.067 0.000 1.119 4188 N HN 0.716 nan 8.380 nan 0.000 0.561 4189 W N 0.527 121.687 121.300 -0.232 0.000 2.321 4189 W HA -0.136 4.525 4.660 0.002 0.000 0.306 4189 W C 2.486 178.866 176.519 -0.232 0.000 1.217 4189 W CA 0.758 58.004 57.345 -0.164 0.000 1.257 4189 W CB -0.655 28.745 29.460 -0.099 0.000 1.145 4189 W HN 0.293 nan 8.180 nan 0.000 0.509 4190 G N -0.266 108.270 108.800 -0.440 0.000 2.422 4190 G HA2 -0.258 3.704 3.960 0.002 0.000 0.218 4190 G HA3 -0.258 3.704 3.960 0.002 0.000 0.218 4190 G C 1.193 176.046 174.900 -0.078 0.000 1.146 4190 G CA 1.278 46.231 45.100 -0.243 0.000 0.769 4190 G HN 0.295 nan 8.290 nan 0.000 0.547 4191 H N 0.263 119.339 119.070 0.011 0.000 2.428 4191 H HA 0.126 4.683 4.556 0.002 0.000 0.296 4191 H C 2.702 178.035 175.328 0.008 0.000 1.062 4191 H CA 0.590 56.628 56.048 -0.017 0.000 1.350 4191 H CB -0.264 29.503 29.762 0.008 0.000 1.403 4191 H HN 0.269 nan 8.280 nan 0.000 0.533 4192 L N 0.486 121.807 121.223 0.164 0.000 2.131 4192 L HA -0.155 4.187 4.340 0.002 0.000 0.210 4192 L C 1.918 178.900 176.870 0.186 0.000 1.092 4192 L CA 0.991 55.934 54.840 0.172 0.000 0.759 4192 L CB -0.204 41.990 42.059 0.224 0.000 0.903 4192 L HN 0.120 nan 8.230 nan 0.000 0.435 4193 D N -0.202 120.324 120.400 0.210 0.000 2.144 4193 D HA -0.168 4.473 4.640 0.002 0.000 0.200 4193 D C 2.277 178.697 176.300 0.201 0.000 0.978 4193 D CA 1.002 55.188 54.000 0.309 0.000 0.833 4193 D CB -0.093 40.929 40.800 0.371 0.000 0.961 4193 D HN 0.396 nan 8.370 nan 0.000 0.470 4194 Q N 0.283 120.132 119.800 0.081 0.000 2.050 4194 Q HA -0.090 4.252 4.340 0.002 0.000 0.202 4194 Q C 2.414 178.382 176.000 -0.053 0.000 0.980 4194 Q CA 0.859 56.628 55.803 -0.057 0.000 0.840 4194 Q CB -0.026 28.630 28.738 -0.136 0.000 0.898 4194 Q HN 0.121 nan 8.270 nan 0.000 0.424 4195 V N 1.060 120.988 119.914 0.022 0.000 2.332 4195 V HA -0.314 3.807 4.120 0.002 0.000 0.248 4195 V C 2.269 178.400 176.094 0.062 0.000 1.055 4195 V CA 1.876 64.204 62.300 0.047 0.000 1.038 4195 V CB -1.031 30.840 31.823 0.080 0.000 0.651 4195 V HN 0.433 nan 8.190 nan 0.000 0.450 4196 A N -0.062 122.822 122.820 0.105 0.000 1.902 4196 A HA -0.133 4.189 4.320 0.002 0.000 0.217 4196 A C 2.421 180.045 177.584 0.068 0.000 1.181 4196 A CA 2.141 54.285 52.037 0.178 0.000 0.623 4196 A CB -0.781 18.427 19.000 0.347 0.000 0.818 4196 A HN 0.587 nan 8.150 nan 0.000 0.443 4197 A N -0.395 122.212 122.820 -0.356 0.000 1.933 4197 A HA -0.006 4.315 4.320 0.002 0.000 0.218 4197 A C 2.141 179.655 177.584 -0.116 0.000 1.175 4197 A CA 1.408 53.017 52.037 -0.715 0.000 0.628 4197 A CB -0.546 17.738 19.000 -1.194 0.000 0.814 4197 A HN 0.475 nan 8.150 nan 0.000 0.444 4198 L N -1.175 120.017 121.223 -0.051 0.000 2.141 4198 L HA -0.157 4.184 4.340 0.002 0.000 0.209 4198 L C 2.851 179.780 176.870 0.099 0.000 1.094 4198 L CA 1.145 56.014 54.840 0.049 0.000 0.763 4198 L CB -0.415 41.677 42.059 0.056 0.000 0.908 4198 L HN 0.372 nan 8.230 nan 0.000 0.437 4199 R N -1.194 119.373 120.500 0.111 0.000 2.090 4199 R HA -0.199 4.143 4.340 0.002 0.000 0.228 4199 R C 2.080 178.462 176.300 0.137 0.000 1.110 4199 R CA 1.630 57.798 56.100 0.114 0.000 0.973 4199 R CB -0.431 29.944 30.300 0.126 0.000 0.869 4199 R HN 0.384 nan 8.270 nan 0.000 0.440 4200 W N 1.156 122.483 121.300 0.044 0.000 2.338 4200 W HA -0.219 4.442 4.660 0.002 0.000 0.304 4200 W C 1.821 178.368 176.519 0.047 0.000 1.212 4200 W CA 1.295 58.685 57.345 0.076 0.000 1.264 4200 W CB -0.241 29.293 29.460 0.124 0.000 1.142 4200 W HN -0.240 nan 8.180 nan 0.000 0.512 4201 V N 0.905 120.978 119.914 0.265 0.000 2.287 4201 V HA -0.366 3.756 4.120 0.002 0.000 0.248 4201 V C 2.579 178.651 176.094 -0.038 0.000 1.053 4201 V CA 2.162 64.541 62.300 0.133 0.000 1.027 4201 V CB -1.064 30.877 31.823 0.196 0.000 0.646 4201 V HN 0.211 nan 8.190 nan 0.000 0.447 4202 Q N -0.254 119.544 119.800 -0.004 0.000 2.096 4202 Q HA -0.222 4.119 4.340 0.002 0.000 0.204 4202 Q C 1.974 177.915 176.000 -0.099 0.000 0.982 4202 Q CA 1.769 57.560 55.803 -0.020 0.000 0.850 4202 Q CB -0.507 28.235 28.738 0.007 0.000 0.901 4202 Q HN 0.663 nan 8.270 nan 0.000 0.422 4203 D N -0.636 119.652 120.400 -0.186 0.000 2.289 4203 D HA -0.005 4.636 4.640 0.002 0.000 0.207 4203 D C 1.092 177.169 176.300 -0.372 0.000 0.966 4203 D CA 0.502 54.349 54.000 -0.255 0.000 0.868 4203 D CB 0.144 40.783 40.800 -0.268 0.000 0.943 4203 D HN 0.289 nan 8.370 nan 0.000 0.514 4204 N N -0.177 118.193 118.700 -0.550 0.000 2.297 4204 N HA 0.018 4.759 4.740 0.002 0.000 0.208 4204 N C 1.583 176.976 175.510 -0.195 0.000 1.176 4204 N CA -0.193 52.529 53.050 -0.547 0.000 0.882 4204 N CB 0.946 38.710 38.487 -1.204 0.000 1.134 4204 N HN -0.015 nan 8.380 nan 0.000 0.489 4205 I N 2.770 123.256 120.570 -0.140 0.000 2.399 4205 I HA -0.203 3.968 4.170 0.002 0.000 0.254 4205 I C 2.220 178.430 176.117 0.155 0.000 1.146 4205 I CA 0.733 62.096 61.300 0.104 0.000 1.412 4205 I CB -0.294 37.757 38.000 0.085 0.000 1.076 4205 I HN 0.082 nan 8.210 nan 0.000 0.432 4206 A N -1.106 121.737 122.820 0.038 0.000 1.978 4206 A HA -0.202 4.119 4.320 0.002 0.000 0.220 4206 A C 2.415 179.994 177.584 -0.009 0.000 1.170 4206 A CA 2.040 54.086 52.037 0.015 0.000 0.636 4206 A CB -0.911 18.071 19.000 -0.030 0.000 0.810 4206 A HN 0.451 nan 8.150 nan 0.000 0.448 4207 S N -1.197 114.467 115.700 -0.060 0.000 2.507 4207 S HA 0.027 4.498 4.470 0.002 0.000 0.235 4207 S C 0.521 174.857 174.600 -0.440 0.000 0.988 4207 S CA 0.668 58.712 58.200 -0.259 0.000 0.944 4207 S CB -0.363 62.600 63.200 -0.394 0.000 0.762 4207 S HN 0.569 nan 8.310 nan 0.000 0.526 4208 F N 0.582 120.502 119.950 -0.050 0.000 2.684 4208 F HA 0.391 4.919 4.527 0.003 0.000 0.298 4208 F C 1.557 177.386 175.800 0.048 0.000 1.120 4208 F CA -0.218 57.770 58.000 -0.021 0.000 1.332 4208 F CB 0.099 39.079 39.000 -0.034 0.000 0.986 4208 F HN 0.189 nan 8.300 nan 0.000 0.524 4209 G N 0.327 109.208 108.800 0.135 0.000 2.143 4209 G HA2 -0.159 3.803 3.960 0.002 0.000 0.249 4209 G HA3 -0.159 3.803 3.960 0.002 0.000 0.249 4209 G C 0.514 175.486 174.900 0.119 0.000 0.981 4209 G CA -0.157 45.013 45.100 0.117 0.000 0.665 4209 G HN 0.770 nan 8.290 nan 0.000 0.528 4210 G N -0.667 108.214 108.800 0.135 0.000 2.441 4210 G HA2 0.541 4.503 3.960 0.002 0.000 0.334 4210 G HA3 0.541 4.503 3.960 0.002 0.000 0.334 4210 G C -0.541 174.402 174.900 0.072 0.000 1.161 4210 G CA -0.227 44.941 45.100 0.113 0.000 0.935 4210 G HN 0.548 nan 8.290 nan 0.000 0.488 4211 N N 1.126 119.859 118.700 0.056 0.000 2.485 4211 N HA 0.345 5.086 4.740 0.002 0.000 0.243 4211 N C -1.214 174.320 175.510 0.039 0.000 0.987 4211 N CA -2.437 50.629 53.050 0.027 0.000 0.940 4211 N CB 2.183 40.669 38.487 -0.001 0.000 1.122 4211 N HN 0.096 nan 8.380 nan 0.000 0.509 4212 P HA -0.000 nan 4.420 nan 0.000 0.228 4212 P C 0.876 178.245 177.300 0.115 0.000 1.151 4212 P CA 0.666 63.812 63.100 0.077 0.000 0.770 4212 P CB 0.148 31.870 31.700 0.037 0.000 0.786 4213 G N -0.646 108.142 108.800 -0.021 0.000 2.920 4213 G HA2 -0.021 3.940 3.960 0.002 0.000 0.208 4213 G HA3 -0.021 3.940 3.960 0.002 0.000 0.208 4213 G C 0.533 175.085 174.900 -0.580 0.000 1.159 4213 G CA 0.166 45.125 45.100 -0.235 0.000 0.784 4213 G HN 0.384 nan 8.290 nan 0.000 0.535 4214 S N 0.120 115.711 115.700 -0.181 0.000 2.216 4214 S HA 0.504 4.975 4.470 0.002 0.000 0.156 4214 S C -1.061 173.643 174.600 0.174 0.000 1.665 4214 S CA -0.452 57.704 58.200 -0.073 0.000 1.262 4214 S CB 0.518 63.670 63.200 -0.081 0.000 1.207 4214 S HN -0.059 nan 8.310 nan 0.000 0.427 4215 V N 3.724 123.918 119.914 0.467 0.000 2.448 4215 V HA 0.561 4.682 4.120 0.002 0.000 0.295 4215 V C 0.107 176.347 176.094 0.243 0.000 1.025 4215 V CA -0.456 62.016 62.300 0.288 0.000 0.859 4215 V CB 1.880 33.849 31.823 0.243 0.000 0.988 4215 V HN 0.709 nan 8.190 nan 0.000 0.431 4216 T N 6.332 120.991 114.554 0.175 0.000 2.797 4216 T HA 0.643 4.994 4.350 0.002 0.000 0.279 4216 T C -0.200 174.625 174.700 0.207 0.000 0.991 4216 T CA -0.203 61.991 62.100 0.158 0.000 0.979 4216 T CB 1.066 69.972 68.868 0.063 0.000 0.943 4216 T HN 0.623 nan 8.240 nan 0.000 0.444 4217 I N 1.483 122.155 120.570 0.170 0.000 2.412 4217 I HA 0.877 5.048 4.170 0.002 0.000 0.296 4217 I C -1.002 175.306 176.117 0.318 0.000 0.987 4217 I CA -1.084 60.311 61.300 0.158 0.000 1.180 4217 I CB 1.123 38.992 38.000 -0.217 0.000 1.340 4217 I HN 0.498 nan 8.210 nan 0.000 0.455 4218 F N 2.943 122.909 119.950 0.028 0.000 2.619 4218 F HA 1.007 5.535 4.527 0.002 0.000 0.308 4218 F C -0.453 175.255 175.800 -0.153 0.000 1.097 4218 F CA -1.499 56.551 58.000 0.083 0.000 0.953 4218 F CB 1.303 40.490 39.000 0.311 0.000 1.287 4218 F HN 0.835 nan 8.300 nan 0.000 0.446 4219 G N 0.772 109.373 108.800 -0.331 0.000 2.623 4219 G HA2 0.489 4.451 3.960 0.002 0.000 0.290 4219 G HA3 0.489 4.451 3.960 0.002 0.000 0.290 4219 G C -2.524 172.161 174.900 -0.360 0.000 1.437 4219 G CA -0.806 43.692 45.100 -1.003 0.000 0.798 4219 G HN 0.873 nan 8.290 nan 0.000 0.488 4220 E N 0.348 120.354 120.200 -0.323 0.000 2.199 4220 E HA 0.635 4.987 4.350 0.002 0.000 0.269 4220 E C 0.524 177.171 176.600 0.080 0.000 0.899 4220 E CA 0.175 56.613 56.400 0.063 0.000 0.772 4220 E CB 1.856 31.703 29.700 0.245 0.000 1.155 4220 E HN 0.612 nan 8.360 nan 0.000 0.408 4221 S N 2.038 117.846 115.700 0.180 0.000 4.116 4221 S HA -0.357 4.114 4.470 0.002 0.000 0.623 4221 S C 1.352 176.044 174.600 0.154 0.000 1.933 4221 S CA 1.280 59.661 58.200 0.303 0.000 4.224 4221 S CB -1.564 61.886 63.200 0.416 0.000 0.208 4221 S HN 0.877 nan 8.310 nan 0.000 0.527 4222 A N 0.987 123.883 122.820 0.127 0.000 1.978 4222 A HA 0.109 4.431 4.320 0.002 0.000 0.220 4222 A C 2.253 179.802 177.584 -0.058 0.000 1.170 4222 A CA 2.543 54.598 52.037 0.029 0.000 0.636 4222 A CB -1.346 17.681 19.000 0.045 0.000 0.810 4222 A HN 1.366 nan 8.150 nan 0.000 0.448 4223 G N -0.911 107.821 108.800 -0.113 0.000 2.421 4223 G HA2 0.128 4.089 3.960 0.002 0.000 0.217 4223 G HA3 0.128 4.089 3.960 0.002 0.000 0.217 4223 G C 1.423 176.175 174.900 -0.247 0.000 1.143 4223 G CA 1.080 46.003 45.100 -0.296 0.000 0.784 4223 G HN 0.662 nan 8.290 nan 0.000 0.541 4224 G N 0.235 108.964 108.800 -0.119 0.000 2.421 4224 G HA2 -0.105 3.857 3.960 0.002 0.000 0.217 4224 G HA3 -0.105 3.857 3.960 0.002 0.000 0.217 4224 G C 1.528 176.400 174.900 -0.047 0.000 1.143 4224 G CA 1.001 46.074 45.100 -0.046 0.000 0.784 4224 G HN 0.426 nan 8.290 nan 0.000 0.541 4225 E N 0.962 121.131 120.200 -0.052 0.000 2.152 4225 E HA -0.062 4.290 4.350 0.002 0.000 0.192 4225 E C 2.448 178.966 176.600 -0.137 0.000 0.983 4225 E CA 0.927 57.279 56.400 -0.079 0.000 0.818 4225 E CB -0.132 29.526 29.700 -0.071 0.000 0.758 4225 E HN 0.327 nan 8.360 nan 0.000 0.467 4226 S N 0.202 115.811 115.700 -0.151 0.000 2.355 4226 S HA -0.107 4.365 4.470 0.002 0.000 0.222 4226 S C 2.125 176.558 174.600 -0.278 0.000 1.031 4226 S CA 1.084 59.155 58.200 -0.215 0.000 0.993 4226 S CB -0.197 62.870 63.200 -0.223 0.000 0.859 4226 S HN 0.127 nan 8.310 nan 0.000 0.453 4227 V N 1.329 121.091 119.914 -0.253 0.000 2.287 4227 V HA -0.169 3.952 4.120 0.002 0.000 0.248 4227 V C 2.600 178.534 176.094 -0.267 0.000 1.053 4227 V CA 2.029 64.156 62.300 -0.290 0.000 1.027 4227 V CB -0.801 30.908 31.823 -0.191 0.000 0.646 4227 V HN 0.552 nan 8.190 nan 0.000 0.447 4228 S N -0.655 114.956 115.700 -0.147 0.000 2.382 4228 S HA -0.164 4.308 4.470 0.002 0.000 0.228 4228 S C 1.948 176.443 174.600 -0.175 0.000 1.027 4228 S CA 1.811 59.948 58.200 -0.105 0.000 0.991 4228 S CB -0.165 63.025 63.200 -0.017 0.000 0.823 4228 S HN 0.337 nan 8.310 nan 0.000 0.469 4229 V N 1.847 121.627 119.914 -0.223 0.000 2.427 4229 V HA -0.090 4.031 4.120 0.002 0.000 0.248 4229 V C 2.332 178.297 176.094 -0.214 0.000 1.051 4229 V CA 1.616 63.760 62.300 -0.260 0.000 1.048 4229 V CB -0.595 30.953 31.823 -0.458 0.000 0.666 4229 V HN 0.471 nan 8.190 nan 0.000 0.456 4230 L N -0.589 120.490 121.223 -0.240 0.000 2.093 4230 L HA -0.126 4.215 4.340 0.002 0.000 0.208 4230 L C 2.436 179.334 176.870 0.046 0.000 1.085 4230 L CA 0.950 55.701 54.840 -0.148 0.000 0.755 4230 L CB -0.605 41.265 42.059 -0.314 0.000 0.904 4230 L HN 0.182 nan 8.230 nan 0.000 0.435 4231 V N 0.235 120.137 119.914 -0.021 0.000 2.568 4231 V HA -0.251 3.871 4.120 0.002 0.000 0.253 4231 V C 1.954 178.164 176.094 0.194 0.000 1.072 4231 V CA 1.490 63.883 62.300 0.154 0.000 1.084 4231 V CB -0.323 31.398 31.823 -0.171 0.000 0.676 4231 V HN 0.405 nan 8.190 nan 0.000 0.469 4232 L N -1.074 120.197 121.223 0.080 0.000 2.640 4232 L HA 0.240 4.582 4.340 0.002 0.000 0.230 4232 L C 0.930 177.849 176.870 0.083 0.000 1.123 4232 L CA 0.151 55.062 54.840 0.118 0.000 0.900 4232 L CB 0.295 42.360 42.059 0.009 0.000 1.146 4232 L HN 0.151 nan 8.230 nan 0.000 0.484 4233 S N -0.031 115.710 115.700 0.068 0.000 2.462 4233 S HA 0.360 4.832 4.470 0.002 0.000 0.294 4233 S C -1.700 172.935 174.600 0.058 0.000 1.144 4233 S CA -1.386 56.839 58.200 0.042 0.000 1.088 4233 S CB 1.396 64.602 63.200 0.009 0.000 1.009 4233 S HN -0.120 nan 8.310 nan 0.000 0.484 4234 P HA -0.007 nan 4.420 nan 0.000 0.218 4234 P C 1.168 178.485 177.300 0.028 0.000 1.149 4234 P CA 0.852 63.964 63.100 0.019 0.000 0.817 4234 P CB 0.078 31.780 31.700 0.003 0.000 0.785 4235 L N -1.356 119.889 121.223 0.037 0.000 2.362 4235 L HA -0.075 4.267 4.340 0.002 0.000 0.219 4235 L C 1.962 178.870 176.870 0.063 0.000 1.134 4235 L CA 0.944 55.812 54.840 0.047 0.000 0.807 4235 L CB -0.751 41.339 42.059 0.051 0.000 0.927 4235 L HN -0.036 nan 8.230 nan 0.000 0.447 4236 A N -0.718 122.155 122.820 0.089 0.000 2.337 4236 A HA 0.048 4.369 4.320 0.002 0.000 0.227 4236 A C 0.813 178.418 177.584 0.034 0.000 1.259 4236 A CA -0.210 51.921 52.037 0.156 0.000 0.870 4236 A CB -0.234 18.986 19.000 0.368 0.000 0.927 4236 A HN 0.128 nan 8.150 nan 0.000 0.497 4237 K N 1.620 122.011 120.400 -0.015 0.000 2.484 4237 K HA 0.013 4.334 4.320 0.002 0.000 0.280 4237 K C -0.081 176.452 176.600 -0.112 0.000 1.013 4237 K CA 0.227 56.465 56.287 -0.082 0.000 1.029 4237 K CB 0.056 32.540 32.500 -0.027 0.000 0.902 4237 K HN 0.465 nan 8.250 nan 0.000 0.481 4238 N N 2.007 120.584 118.700 -0.204 0.000 2.741 4238 N HA -0.226 4.516 4.740 0.002 0.000 0.251 4238 N C 0.104 175.510 175.510 -0.173 0.000 1.112 4238 N CA 0.896 53.842 53.050 -0.174 0.000 0.750 4238 N CB -1.190 37.259 38.487 -0.063 0.000 1.119 4238 N HN 0.553 nan 8.380 nan 0.000 0.561 4239 L N -1.393 119.707 121.223 -0.205 0.000 2.638 4239 L HA 0.282 4.623 4.340 0.002 0.000 0.232 4239 L C 0.271 177.150 176.870 0.015 0.000 1.099 4239 L CA 0.198 55.024 54.840 -0.023 0.000 0.883 4239 L CB 0.072 42.213 42.059 0.136 0.000 1.136 4239 L HN 0.177 nan 8.230 nan 0.000 0.492 4240 F N -4.132 115.582 119.950 -0.393 0.000 2.693 4240 F HA 0.450 4.978 4.527 0.002 0.000 0.309 4240 F C 0.219 175.612 175.800 -0.679 0.000 1.129 4240 F CA -1.005 56.726 58.000 -0.448 0.000 0.948 4240 F CB 0.758 39.656 39.000 -0.169 0.000 1.315 4240 F HN -0.118 nan 8.300 nan 0.000 0.447 4241 H N -0.115 118.998 119.070 0.071 0.000 3.170 4241 H HA 0.452 5.010 4.556 0.003 0.000 0.264 4241 H C -0.385 174.949 175.328 0.010 0.000 1.113 4241 H CA -0.156 55.862 56.048 -0.050 0.000 1.194 4241 H CB 0.942 30.663 29.762 -0.069 0.000 1.553 4241 H HN 0.516 nan 8.280 nan 0.000 0.538 4242 R N 0.439 121.065 120.500 0.210 0.000 2.604 4242 R HA 0.664 5.006 4.340 0.002 0.000 0.270 4242 R C -1.426 175.044 176.300 0.283 0.000 1.052 4242 R CA -0.544 55.636 56.100 0.134 0.000 0.902 4242 R CB 2.696 32.898 30.300 -0.163 0.000 1.233 4242 R HN 0.138 nan 8.270 nan 0.000 0.455 4243 A N 3.193 126.223 122.820 0.349 0.000 2.435 4243 A HA 0.822 5.144 4.320 0.002 0.000 0.304 4243 A C -1.006 176.822 177.584 0.406 0.000 1.064 4243 A CA -0.683 51.494 52.037 0.233 0.000 0.727 4243 A CB 1.162 20.080 19.000 -0.136 0.000 1.284 4243 A HN 0.615 nan 8.150 nan 0.000 0.415 4244 I N 1.303 122.042 120.570 0.283 0.000 2.500 4244 I HA 0.295 4.467 4.170 0.002 0.000 0.286 4244 I C -0.315 175.937 176.117 0.225 0.000 1.063 4244 I CA -0.278 61.129 61.300 0.178 0.000 1.062 4244 I CB 2.259 40.282 38.000 0.038 0.000 1.223 4244 I HN 0.465 nan 8.210 nan 0.000 0.435 4245 S N 5.145 120.946 115.700 0.169 0.000 2.448 4245 S HA 0.330 4.801 4.470 0.002 0.000 0.320 4245 S C -0.389 174.273 174.600 0.103 0.000 1.071 4245 S CA -0.579 57.691 58.200 0.116 0.000 1.113 4245 S CB 0.788 64.036 63.200 0.080 0.000 0.972 4245 S HN 0.479 nan 8.310 nan 0.000 0.465 4246 E N 1.936 122.253 120.200 0.195 0.000 2.081 4246 E HA 0.296 4.648 4.350 0.002 0.000 0.281 4246 E C -0.343 176.367 176.600 0.182 0.000 0.986 4246 E CA -0.458 56.107 56.400 0.274 0.000 0.796 4246 E CB 0.901 30.854 29.700 0.422 0.000 1.085 4246 E HN 0.622 nan 8.360 nan 0.000 0.398 4247 S N 2.100 117.883 115.700 0.138 0.000 3.608 4247 S HA -0.142 4.329 4.470 0.002 0.000 0.382 4247 S C 0.048 174.899 174.600 0.419 0.000 0.945 4247 S CA 0.559 58.877 58.200 0.196 0.000 1.256 4247 S CB -1.087 62.159 63.200 0.077 0.000 0.913 4247 S HN 0.953 nan 8.310 nan 0.000 0.518 4248 G N -0.968 108.016 108.800 0.306 0.000 2.146 4248 G HA2 0.495 4.457 3.960 0.002 0.000 0.261 4248 G HA3 0.495 4.457 3.960 0.002 0.000 0.261 4248 G C -0.843 174.089 174.900 0.053 0.000 1.745 4248 G CA 0.075 45.312 45.100 0.229 0.000 0.905 4248 G HN 1.549 nan 8.290 nan 0.000 0.746 4249 V N -0.677 119.221 119.914 -0.027 0.000 3.182 4249 V HA 0.935 5.057 4.120 0.002 0.000 0.308 4249 V C 1.284 177.317 176.094 -0.103 0.000 1.240 4249 V CA -0.012 62.253 62.300 -0.058 0.000 1.063 4249 V CB 1.241 33.018 31.823 -0.078 0.000 1.076 4249 V HN 2.224 nan 8.190 nan 0.000 0.446 4250 A N -0.231 122.525 122.820 -0.106 0.000 2.225 4250 A HA 0.182 4.503 4.320 0.002 0.000 0.215 4250 A C 1.521 179.019 177.584 -0.144 0.000 1.164 4250 A CA 1.423 53.381 52.037 -0.131 0.000 0.710 4250 A CB -0.749 18.172 19.000 -0.133 0.000 0.780 4250 A HN 0.827 nan 8.150 nan 0.000 0.473 4251 L N -0.399 120.733 121.223 -0.152 0.000 2.592 4251 L HA 0.047 4.388 4.340 0.002 0.000 0.227 4251 L C 0.270 177.006 176.870 -0.224 0.000 1.127 4251 L CA 0.098 54.834 54.840 -0.173 0.000 0.884 4251 L CB -0.023 41.943 42.059 -0.155 0.000 1.065 4251 L HN 0.116 nan 8.230 nan 0.000 0.457 4252 T N 0.319 114.730 114.554 -0.239 0.000 3.781 4252 T HA 0.009 4.361 4.350 0.002 0.000 0.286 4252 T C 1.523 176.056 174.700 -0.278 0.000 1.277 4252 T CA 0.180 62.088 62.100 -0.321 0.000 1.136 4252 T CB 0.271 68.921 68.868 -0.364 0.000 1.202 4252 T HN 0.384 nan 8.240 nan 0.000 0.884 4253 S N 1.433 116.967 115.700 -0.277 0.000 2.448 4253 S HA -0.171 4.300 4.470 0.002 0.000 0.247 4253 S C 2.067 176.532 174.600 -0.226 0.000 1.033 4253 S CA 1.220 59.272 58.200 -0.247 0.000 1.003 4253 S CB -0.624 62.408 63.200 -0.280 0.000 0.786 4253 S HN 0.501 nan 8.310 nan 0.000 0.495 4254 V N 1.128 120.898 119.914 -0.240 0.000 2.515 4254 V HA 0.055 4.177 4.120 0.002 0.000 0.250 4254 V C 1.999 177.996 176.094 -0.161 0.000 1.058 4254 V CA 1.611 63.794 62.300 -0.195 0.000 1.064 4254 V CB -0.413 31.297 31.823 -0.188 0.000 0.675 4254 V HN 0.648 nan 8.190 nan 0.000 0.461 4255 L N -0.225 120.895 121.223 -0.172 0.000 2.509 4255 L HA 0.163 4.504 4.340 0.002 0.000 0.222 4255 L C 0.339 177.114 176.870 -0.157 0.000 1.123 4255 L CA 0.052 54.794 54.840 -0.165 0.000 0.856 4255 L CB 0.271 42.239 42.059 -0.152 0.000 0.985 4255 L HN 0.123 nan 8.230 nan 0.000 0.456 4256 V N 0.794 120.620 119.914 -0.147 0.000 2.417 4256 V HA 0.274 4.396 4.120 0.002 0.000 0.291 4256 V C -0.146 175.879 176.094 -0.115 0.000 1.024 4256 V CA -0.896 61.330 62.300 -0.124 0.000 0.861 4256 V CB 1.740 33.487 31.823 -0.126 0.000 0.985 4256 V HN 0.019 nan 8.190 nan 0.000 0.436 4257 K N 4.660 125.004 120.400 -0.094 0.000 2.266 4257 K HA 0.440 4.762 4.320 0.002 0.000 0.274 4257 K C -0.473 176.083 176.600 -0.074 0.000 1.090 4257 K CA -0.282 55.956 56.287 -0.081 0.000 0.925 4257 K CB 1.143 33.602 32.500 -0.069 0.000 1.225 4257 K HN 0.555 nan 8.250 nan 0.000 0.458 4258 K N 0.893 121.248 120.400 -0.075 0.000 2.185 4258 K HA 0.613 4.934 4.320 0.002 0.000 0.269 4258 K C 0.410 176.981 176.600 -0.048 0.000 0.987 4258 K CA -0.354 55.894 56.287 -0.065 0.000 0.865 4258 K CB 1.644 34.099 32.500 -0.075 0.000 1.090 4258 K HN 0.753 nan 8.250 nan 0.000 0.450 4259 G N 2.092 110.868 108.800 -0.039 0.000 2.384 4259 G HA2 -0.202 3.759 3.960 0.002 0.000 0.204 4259 G HA3 -0.202 3.759 3.960 0.002 0.000 0.204 4259 G C -1.548 173.335 174.900 -0.028 0.000 1.237 4259 G CA -0.853 44.231 45.100 -0.026 0.000 1.060 4259 G HN 0.625 nan 8.290 nan 0.000 0.514 4260 D N 0.380 120.769 120.400 -0.018 0.000 2.325 4260 D HA 0.424 5.065 4.640 0.002 0.000 0.251 4260 D C 1.666 177.951 176.300 -0.026 0.000 1.196 4260 D CA 0.575 54.563 54.000 -0.020 0.000 0.866 4260 D CB 1.346 42.140 40.800 -0.009 0.000 1.101 4260 D HN 1.197 nan 8.370 nan 0.000 0.476 4261 V N 1.835 121.723 119.914 -0.043 0.000 3.647 4261 V HA 0.167 4.288 4.120 0.002 0.000 0.279 4261 V C 1.951 178.010 176.094 -0.059 0.000 1.314 4261 V CA 0.069 62.335 62.300 -0.056 0.000 1.125 4261 V CB -0.140 31.630 31.823 -0.088 0.000 0.907 4261 V HN 0.261 nan 8.190 nan 0.000 0.434 4262 K N 2.144 122.517 120.400 -0.045 0.000 2.032 4262 K HA -0.015 4.307 4.320 0.002 0.000 0.209 4262 K C -0.187 176.408 176.600 -0.010 0.000 1.048 4262 K CA 2.182 58.448 56.287 -0.035 0.000 0.927 4262 K CB -1.584 30.905 32.500 -0.018 0.000 0.712 4262 K HN 0.431 nan 8.250 nan 0.000 0.441 4263 P HA -0.180 nan 4.420 nan 0.000 0.216 4263 P C 1.372 178.690 177.300 0.030 0.000 1.153 4263 P CA 1.069 64.179 63.100 0.016 0.000 0.858 4263 P CB 0.023 31.733 31.700 0.017 0.000 0.789 4264 L N -1.062 120.178 121.223 0.029 0.000 2.017 4264 L HA -0.188 4.153 4.340 0.002 0.000 0.208 4264 L C 2.198 179.123 176.870 0.091 0.000 1.073 4264 L CA 1.860 56.737 54.840 0.063 0.000 0.745 4264 L CB -0.892 41.201 42.059 0.056 0.000 0.894 4264 L HN -0.039 nan 8.230 nan 0.000 0.432 4265 A N -0.138 122.705 122.820 0.038 0.000 1.865 4265 A HA -0.277 4.045 4.320 0.002 0.000 0.217 4265 A C 2.005 179.697 177.584 0.180 0.000 1.191 4265 A CA 1.988 54.080 52.037 0.090 0.000 0.623 4265 A CB -0.620 18.309 19.000 -0.119 0.000 0.826 4265 A HN 0.568 nan 8.150 nan 0.000 0.444 4266 E N -0.974 119.282 120.200 0.093 0.000 2.110 4266 E HA -0.263 4.088 4.350 0.002 0.000 0.193 4266 E C 2.255 178.898 176.600 0.071 0.000 0.988 4266 E CA 1.360 57.807 56.400 0.078 0.000 0.804 4266 E CB -0.159 29.568 29.700 0.045 0.000 0.745 4266 E HN 0.827 nan 8.360 nan 0.000 0.458 4267 Q N 0.810 120.651 119.800 0.070 0.000 2.119 4267 Q HA -0.155 4.187 4.340 0.002 0.000 0.201 4267 Q C 2.079 178.118 176.000 0.065 0.000 0.972 4267 Q CA 1.167 57.002 55.803 0.053 0.000 0.847 4267 Q CB 0.018 28.784 28.738 0.046 0.000 0.903 4267 Q HN 0.295 nan 8.270 nan 0.000 0.433 4268 I N 0.430 121.071 120.570 0.119 0.000 2.315 4268 I HA -0.216 3.955 4.170 0.002 0.000 0.248 4268 I C 2.371 178.511 176.117 0.039 0.000 1.117 4268 I CA 0.823 62.192 61.300 0.116 0.000 1.404 4268 I CB -0.388 37.743 38.000 0.219 0.000 1.071 4268 I HN 0.303 nan 8.210 nan 0.000 0.419 4269 A N 1.073 123.925 122.820 0.054 0.000 1.898 4269 A HA -0.147 4.174 4.320 0.002 0.000 0.216 4269 A C 2.270 179.851 177.584 -0.005 0.000 1.181 4269 A CA 1.384 53.420 52.037 -0.002 0.000 0.620 4269 A CB -0.734 18.289 19.000 0.037 0.000 0.819 4269 A HN 0.368 nan 8.150 nan 0.000 0.442 4270 I N -0.448 120.130 120.570 0.013 0.000 2.394 4270 I HA -0.185 3.987 4.170 0.002 0.000 0.251 4270 I C 2.351 178.465 176.117 -0.005 0.000 1.136 4270 I CA 1.548 62.851 61.300 0.004 0.000 1.425 4270 I CB -0.413 37.593 38.000 0.009 0.000 1.079 4270 I HN 0.235 nan 8.210 nan 0.000 0.425 4271 T N 0.579 115.130 114.554 -0.005 0.000 2.867 4271 T HA -0.047 4.304 4.350 0.002 0.000 0.268 4271 T C 1.801 176.490 174.700 -0.018 0.000 1.057 4271 T CA 1.307 63.399 62.100 -0.013 0.000 1.136 4271 T CB -0.111 68.749 68.868 -0.014 0.000 0.874 4271 T HN 0.453 nan 8.240 nan 0.000 0.466 4272 A N 0.312 123.116 122.820 -0.027 0.000 2.251 4272 A HA 0.532 4.853 4.320 0.002 0.000 0.209 4272 A C 1.683 179.248 177.584 -0.033 0.000 1.187 4272 A CA 0.633 52.647 52.037 -0.039 0.000 0.823 4272 A CB -0.538 18.418 19.000 -0.072 0.000 0.846 4272 A HN 0.703 nan 8.150 nan 0.000 0.486 4273 G N -1.624 107.161 108.800 -0.024 0.000 2.203 4273 G HA2 -0.201 3.761 3.960 0.002 0.000 0.231 4273 G HA3 -0.201 3.761 3.960 0.002 0.000 0.231 4273 G C -0.036 174.853 174.900 -0.019 0.000 1.058 4273 G CA -0.047 45.042 45.100 -0.018 0.000 0.781 4273 G HN 0.582 nan 8.290 nan 0.000 0.496 4274 c N 0.426 119.014 118.600 -0.020 0.000 2.470 4274 c HA 0.789 5.360 4.570 0.002 0.000 0.341 4274 c C 0.661 174.750 174.090 -0.001 0.000 1.190 4274 c CA -1.242 55.077 56.329 -0.016 0.000 1.904 4274 c CB 1.725 44.216 42.510 -0.033 0.000 2.354 4274 c HN 0.466 nan 8.230 nan 0.000 0.509 4275 K N 1.107 121.511 120.400 0.006 0.000 2.107 4275 K HA 0.356 4.678 4.320 0.002 0.000 0.251 4275 K C 0.762 177.372 176.600 0.017 0.000 1.012 4275 K CA 0.154 56.448 56.287 0.011 0.000 0.920 4275 K CB 0.606 33.115 32.500 0.014 0.000 1.033 4275 K HN 0.884 nan 8.250 nan 0.000 0.478 4276 T N -3.106 111.459 114.554 0.018 0.000 3.252 4276 T HA 0.078 4.429 4.350 0.002 0.000 0.286 4276 T C 1.008 175.718 174.700 0.016 0.000 1.013 4276 T CA -0.356 61.758 62.100 0.023 0.000 0.914 4276 T CB -0.107 68.776 68.868 0.026 0.000 1.131 4276 T HN 0.359 nan 8.240 nan 0.000 0.529 4277 T N 2.849 117.409 114.554 0.010 0.000 2.699 4277 T HA -0.041 4.311 4.350 0.002 0.000 0.268 4277 T C 1.177 175.876 174.700 -0.002 0.000 1.036 4277 T CA 1.956 64.058 62.100 0.003 0.000 1.147 4277 T CB -0.413 68.455 68.868 -0.001 0.000 0.862 4277 T HN 0.857 nan 8.240 nan 0.000 0.446 4278 T N -2.602 111.947 114.554 -0.008 0.000 2.792 4278 T HA 0.490 4.842 4.350 0.002 0.000 0.303 4278 T C 0.898 175.583 174.700 -0.025 0.000 1.310 4278 T CA -0.432 61.655 62.100 -0.023 0.000 1.007 4278 T CB 1.662 70.495 68.868 -0.058 0.000 1.335 4278 T HN -0.179 nan 8.240 nan 0.000 0.504 4279 S N 0.433 116.116 115.700 -0.029 0.000 2.359 4279 S HA -0.053 4.418 4.470 0.002 0.000 0.224 4279 S C 2.492 177.052 174.600 -0.067 0.000 1.035 4279 S CA 1.494 59.697 58.200 0.004 0.000 1.018 4279 S CB -0.998 62.269 63.200 0.111 0.000 0.876 4279 S HN 0.960 nan 8.310 nan 0.000 0.448 4280 A N 1.026 123.643 122.820 -0.338 0.000 1.940 4280 A HA -0.064 4.257 4.320 0.002 0.000 0.219 4280 A C 2.338 179.876 177.584 -0.076 0.000 1.176 4280 A CA 1.526 53.360 52.037 -0.340 0.000 0.631 4280 A CB -0.908 17.744 19.000 -0.579 0.000 0.814 4280 A HN 0.345 nan 8.150 nan 0.000 0.446 4281 V N -0.113 119.765 119.914 -0.059 0.000 2.343 4281 V HA -0.330 3.791 4.120 0.002 0.000 0.247 4281 V C 2.645 178.777 176.094 0.063 0.000 1.051 4281 V CA 2.324 64.635 62.300 0.018 0.000 1.036 4281 V CB -0.684 31.140 31.823 0.002 0.000 0.654 4281 V HN 0.597 nan 8.190 nan 0.000 0.451 4282 M N -0.703 118.927 119.600 0.050 0.000 2.086 4282 M HA -0.147 4.334 4.480 0.002 0.000 0.261 4282 M C 2.178 178.501 176.300 0.039 0.000 1.067 4282 M CA 1.669 57.005 55.300 0.060 0.000 1.116 4282 M CB -0.560 32.115 32.600 0.125 0.000 1.348 4282 M HN 0.225 nan 8.290 nan 0.000 0.407 4283 V N -0.577 119.395 119.914 0.096 0.000 2.407 4283 V HA -0.273 3.848 4.120 0.002 0.000 0.248 4283 V C 2.261 178.427 176.094 0.121 0.000 1.055 4283 V CA 2.268 64.619 62.300 0.086 0.000 1.049 4283 V CB -1.132 30.799 31.823 0.180 0.000 0.662 4283 V HN 0.492 nan 8.190 nan 0.000 0.455 4284 H N -0.631 118.461 119.070 0.037 0.000 2.357 4284 H HA -0.184 4.373 4.556 0.002 0.000 0.301 4284 H C 2.324 177.664 175.328 0.020 0.000 1.082 4284 H CA 2.200 58.268 56.048 0.033 0.000 1.342 4284 H CB -0.533 29.235 29.762 0.009 0.000 1.389 4284 H HN 0.442 nan 8.280 nan 0.000 0.511 4285 c N -0.149 118.416 118.600 -0.058 0.000 2.446 4285 c HA -0.014 4.557 4.570 0.002 0.000 0.277 4285 c C 2.727 176.745 174.090 -0.120 0.000 1.275 4285 c CA 0.773 57.032 56.329 -0.117 0.000 1.727 4285 c CB -1.401 41.089 42.510 -0.035 0.000 2.010 4285 c HN 0.659 nan 8.230 nan 0.000 0.486 4286 L N 0.210 121.373 121.223 -0.100 0.000 2.141 4286 L HA -0.069 4.272 4.340 0.002 0.000 0.209 4286 L C 2.906 179.797 176.870 0.035 0.000 1.094 4286 L CA 1.314 56.099 54.840 -0.091 0.000 0.763 4286 L CB -0.684 41.201 42.059 -0.290 0.000 0.908 4286 L HN 0.337 nan 8.230 nan 0.000 0.437 4287 R N -0.339 120.198 120.500 0.062 0.000 2.237 4287 R HA -0.124 4.217 4.340 0.002 0.000 0.219 4287 R C 2.060 178.295 176.300 -0.109 0.000 1.080 4287 R CA 0.888 56.987 56.100 -0.002 0.000 0.995 4287 R CB 0.113 30.431 30.300 0.030 0.000 0.875 4287 R HN 0.481 nan 8.270 nan 0.000 0.462 4288 Q N -0.416 119.293 119.800 -0.152 0.000 2.402 4288 Q HA 0.039 4.381 4.340 0.002 0.000 0.206 4288 Q C -0.080 175.866 176.000 -0.090 0.000 0.919 4288 Q CA 0.263 55.979 55.803 -0.144 0.000 0.923 4288 Q CB 0.492 29.110 28.738 -0.199 0.000 1.048 4288 Q HN -0.027 nan 8.270 nan 0.000 0.515 4289 K N 2.056 122.407 120.400 -0.081 0.000 2.380 4289 K HA 0.043 4.365 4.320 0.002 0.000 0.267 4289 K C 0.513 177.097 176.600 -0.028 0.000 0.990 4289 K CA 0.240 56.495 56.287 -0.054 0.000 0.946 4289 K CB 0.359 32.820 32.500 -0.065 0.000 0.937 4289 K HN 0.148 nan 8.250 nan 0.000 0.491 4290 T N -2.671 111.881 114.554 -0.002 0.000 2.816 4290 T HA 0.056 4.408 4.350 0.002 0.000 0.282 4290 T C 1.306 176.057 174.700 0.086 0.000 0.993 4290 T CA -0.572 61.544 62.100 0.026 0.000 0.994 4290 T CB 1.047 69.928 68.868 0.021 0.000 1.025 4290 T HN 0.630 nan 8.240 nan 0.000 0.529 4291 E N -0.060 120.213 120.200 0.122 0.000 2.118 4291 E HA -0.242 4.109 4.350 0.002 0.000 0.195 4291 E C 1.831 178.568 176.600 0.228 0.000 0.992 4291 E CA 1.387 57.929 56.400 0.238 0.000 0.804 4291 E CB -0.081 29.683 29.700 0.108 0.000 0.741 4291 E HN 0.770 nan 8.360 nan 0.000 0.458 4292 E N 0.993 121.263 120.200 0.117 0.000 2.106 4292 E HA -0.177 4.174 4.350 0.002 0.000 0.192 4292 E C 1.717 178.375 176.600 0.096 0.000 0.984 4292 E CA 1.535 57.992 56.400 0.095 0.000 0.806 4292 E CB -0.017 29.712 29.700 0.049 0.000 0.750 4292 E HN 0.370 nan 8.360 nan 0.000 0.458 4293 E N -0.157 120.086 120.200 0.071 0.000 2.077 4293 E HA -0.138 4.214 4.350 0.002 0.000 0.193 4293 E C 2.108 178.729 176.600 0.035 0.000 0.989 4293 E CA 1.159 57.582 56.400 0.038 0.000 0.800 4293 E CB -0.125 29.579 29.700 0.008 0.000 0.746 4293 E HN 0.311 nan 8.360 nan 0.000 0.452 4294 L N 0.522 121.772 121.223 0.044 0.000 2.217 4294 L HA -0.116 4.225 4.340 0.002 0.000 0.211 4294 L C 2.408 179.324 176.870 0.076 0.000 1.107 4294 L CA 0.124 54.920 54.840 -0.072 0.000 0.783 4294 L CB -0.178 41.668 42.059 -0.355 0.000 0.919 4294 L HN 0.187 nan 8.230 nan 0.000 0.442 4295 L N -0.017 121.378 121.223 0.286 0.000 2.109 4295 L HA -0.128 4.214 4.340 0.002 0.000 0.207 4295 L C 2.296 179.274 176.870 0.179 0.000 1.086 4295 L CA 1.698 56.738 54.840 0.334 0.000 0.760 4295 L CB -0.367 41.853 42.059 0.268 0.000 0.910 4295 L HN 0.176 nan 8.230 nan 0.000 0.437 4296 E N -1.303 118.965 120.200 0.114 0.000 2.152 4296 E HA -0.151 4.200 4.350 0.002 0.000 0.192 4296 E C 1.882 178.516 176.600 0.056 0.000 0.983 4296 E CA 1.461 57.904 56.400 0.070 0.000 0.818 4296 E CB -0.105 29.622 29.700 0.044 0.000 0.758 4296 E HN 0.489 nan 8.360 nan 0.000 0.467 4297 T N 0.487 115.069 114.554 0.048 0.000 2.777 4297 T HA -0.127 4.225 4.350 0.002 0.000 0.266 4297 T C 2.004 176.753 174.700 0.081 0.000 1.040 4297 T CA 1.572 63.691 62.100 0.032 0.000 1.141 4297 T CB -0.343 68.523 68.868 -0.004 0.000 0.868 4297 T HN 0.162 nan 8.240 nan 0.000 0.444 4298 T N 2.615 117.261 114.554 0.154 0.000 2.684 4298 T HA -0.006 4.346 4.350 0.002 0.000 0.267 4298 T C 1.965 176.787 174.700 0.204 0.000 1.036 4298 T CA 0.990 63.270 62.100 0.299 0.000 1.148 4298 T CB -0.480 68.594 68.868 0.343 0.000 0.863 4298 T HN 0.274 nan 8.240 nan 0.000 0.436 4299 L N 0.367 121.668 121.223 0.130 0.000 2.046 4299 L HA -0.093 4.248 4.340 0.002 0.000 0.208 4299 L C 2.635 179.506 176.870 0.002 0.000 1.077 4299 L CA 1.409 56.292 54.840 0.072 0.000 0.747 4299 L CB -0.527 41.570 42.059 0.062 0.000 0.896 4299 L HN 0.232 nan 8.230 nan 0.000 0.432 4300 K N -0.471 119.921 120.400 -0.014 0.000 2.097 4300 K HA -0.113 4.208 4.320 0.002 0.000 0.206 4300 K C 2.144 178.667 176.600 -0.129 0.000 1.049 4300 K CA 1.086 57.341 56.287 -0.053 0.000 0.933 4300 K CB -0.110 32.367 32.500 -0.037 0.000 0.717 4300 K HN 0.194 nan 8.250 nan 0.000 0.442 4301 M N 0.958 120.429 119.600 -0.214 0.000 2.279 4301 M HA -0.094 4.387 4.480 0.002 0.000 0.264 4301 M C 0.218 176.196 176.300 -0.536 0.000 1.062 4301 M CA 1.257 56.268 55.300 -0.482 0.000 1.099 4301 M CB -0.680 31.356 32.600 -0.940 0.000 1.394 4301 M HN 0.107 nan 8.290 nan 0.000 0.426 4302 K N 0.300 120.498 120.400 -0.336 0.000 3.244 4302 K HA -0.177 4.145 4.320 0.002 0.000 0.270 4302 K C -0.602 175.900 176.600 -0.163 0.000 1.016 4302 K CA 0.050 56.230 56.287 -0.179 0.000 0.754 4302 K CB -2.183 30.243 32.500 -0.124 0.000 1.326 4302 K HN 0.165 nan 8.250 nan 0.000 0.465 4303 F N 0.216 120.188 119.950 0.036 0.000 2.480 4303 F HA 0.042 4.570 4.527 0.002 0.000 0.319 4303 F C 1.833 177.655 175.800 0.035 0.000 1.230 4303 F CA -0.232 57.791 58.000 0.039 0.000 1.285 4303 F CB 0.262 39.295 39.000 0.055 0.000 1.208 4303 F HN 0.095 nan 8.300 nan 0.000 0.579 4304 L N 0.158 121.536 121.223 0.258 0.000 4.232 4304 L HA -0.262 4.079 4.340 0.002 0.000 0.415 4304 L C -0.123 176.813 176.870 0.109 0.000 1.168 4304 L CA 0.984 55.914 54.840 0.151 0.000 0.966 4304 L CB -2.235 39.899 42.059 0.125 0.000 2.052 4304 L HN 0.583 nan 8.230 nan 0.000 0.887 4305 S N -0.886 114.873 115.700 0.098 0.000 2.547 4305 S HA 0.709 5.180 4.470 0.002 0.000 0.281 4305 S C -0.703 173.930 174.600 0.055 0.000 1.118 4305 S CA -0.844 57.397 58.200 0.068 0.000 0.947 4305 S CB 1.477 64.695 63.200 0.030 0.000 1.053 4305 S HN 0.183 nan 8.310 nan 0.000 0.482 4306 L N 4.002 125.258 121.223 0.055 0.000 2.418 4306 L HA 0.416 4.758 4.340 0.002 0.000 0.274 4306 L C -0.218 176.613 176.870 -0.065 0.000 1.135 4306 L CA 0.270 55.099 54.840 -0.018 0.000 0.870 4306 L CB 0.522 42.486 42.059 -0.159 0.000 1.154 4306 L HN 0.648 nan 8.230 nan 0.000 0.462 4307 D N 4.566 124.924 120.400 -0.069 0.000 2.336 4307 D HA 0.102 4.743 4.640 0.002 0.000 0.249 4307 D C 0.767 177.009 176.300 -0.096 0.000 1.213 4307 D CA 0.141 54.096 54.000 -0.076 0.000 0.870 4307 D CB 0.661 41.417 40.800 -0.073 0.000 1.076 4307 D HN 0.587 nan 8.370 nan 0.000 0.483 4308 L N 2.277 123.449 121.223 -0.084 0.000 2.592 4308 L HA 0.132 4.474 4.340 0.002 0.000 0.227 4308 L C 1.130 177.966 176.870 -0.057 0.000 1.127 4308 L CA 0.198 54.990 54.840 -0.081 0.000 0.884 4308 L CB -0.056 41.961 42.059 -0.070 0.000 1.065 4308 L HN 0.315 nan 8.230 nan 0.000 0.457 4309 Q N 0.732 120.500 119.800 -0.054 0.000 2.340 4309 Q HA 0.536 4.878 4.340 0.002 0.000 0.268 4309 Q C -0.003 175.972 176.000 -0.042 0.000 1.031 4309 Q CA 0.554 56.334 55.803 -0.038 0.000 0.804 4309 Q CB 2.409 31.128 28.738 -0.032 0.000 1.286 4309 Q HN 0.250 nan 8.270 nan 0.000 0.448 4310 G N 3.503 112.286 108.800 -0.028 0.000 2.451 4310 G HA2 -0.191 3.770 3.960 0.002 0.000 0.208 4310 G HA3 -0.191 3.770 3.960 0.002 0.000 0.208 4310 G C -1.241 173.640 174.900 -0.032 0.000 1.248 4310 G CA -0.258 44.827 45.100 -0.026 0.000 0.989 4310 G HN 0.608 nan 8.290 nan 0.000 0.559 4311 D N 0.943 121.318 120.400 -0.042 0.000 2.280 4311 D HA 0.551 5.193 4.640 0.002 0.000 0.236 4311 D C -1.142 175.059 176.300 -0.164 0.000 1.082 4311 D CA -1.769 52.196 54.000 -0.060 0.000 0.834 4311 D CB 1.826 42.622 40.800 -0.008 0.000 1.100 4311 D HN -0.028 nan 8.370 nan 0.000 0.486 4312 P HA -0.107 nan 4.420 nan 0.000 0.217 4312 P C 1.021 178.173 177.300 -0.247 0.000 1.148 4312 P CA 1.114 63.938 63.100 -0.461 0.000 0.828 4312 P CB 0.300 31.352 31.700 -1.079 0.000 0.783 4313 R N -0.428 119.897 120.500 -0.293 0.000 2.189 4313 R HA -0.058 4.284 4.340 0.002 0.000 0.223 4313 R C 1.789 178.117 176.300 0.048 0.000 1.092 4313 R CA 0.909 56.978 56.100 -0.052 0.000 0.989 4313 R CB -0.355 29.852 30.300 -0.156 0.000 0.876 4313 R HN 0.393 nan 8.270 nan 0.000 0.457 4314 E N 0.120 120.314 120.200 -0.010 0.000 2.447 4314 E HA 0.076 4.427 4.350 0.002 0.000 0.195 4314 E C -0.195 176.406 176.600 0.002 0.000 1.028 4314 E CA -0.103 56.300 56.400 0.005 0.000 0.876 4314 E CB 0.561 30.256 29.700 -0.008 0.000 0.885 4314 E HN 0.059 nan 8.360 nan 0.000 0.500 4315 S N 1.608 117.301 115.700 -0.011 0.000 2.533 4315 S HA 0.071 4.542 4.470 0.002 0.000 0.282 4315 S C 0.099 174.711 174.600 0.021 0.000 1.304 4315 S CA 0.077 58.269 58.200 -0.013 0.000 1.063 4315 S CB 0.705 63.884 63.200 -0.035 0.000 0.881 4315 S HN 0.097 nan 8.310 nan 0.000 0.493 4316 Q N 3.424 123.247 119.800 0.037 0.000 2.700 4316 Q HA 0.293 4.635 4.340 0.002 0.000 0.249 4316 Q C -1.693 174.424 176.000 0.195 0.000 1.033 4316 Q CA -1.956 53.911 55.803 0.107 0.000 0.804 4316 Q CB 0.991 29.818 28.738 0.148 0.000 1.164 4316 Q HN 0.333 nan 8.270 nan 0.000 0.500 4317 P HA -0.107 nan 4.420 nan 0.000 0.223 4317 P C -0.485 177.031 177.300 0.360 0.000 1.144 4317 P CA 0.769 63.994 63.100 0.209 0.000 0.783 4317 P CB 0.190 31.956 31.700 0.110 0.000 0.771 4318 L N -4.985 116.411 121.223 0.287 0.000 2.947 4318 L HA 0.414 4.756 4.340 0.002 0.000 0.267 4318 L C -1.424 175.375 176.870 -0.119 0.000 1.004 4318 L CA -1.275 53.570 54.840 0.008 0.000 0.937 4318 L CB 0.376 42.402 42.059 -0.056 0.000 1.496 4318 L HN -0.348 nan 8.230 nan 0.000 0.409 4319 L N 1.007 122.038 121.223 -0.320 0.000 2.289 4319 L HA 0.949 5.290 4.340 0.002 0.000 0.285 4319 L C 0.615 177.339 176.870 -0.243 0.000 1.049 4319 L CA 0.019 54.757 54.840 -0.170 0.000 0.804 4319 L CB 0.993 42.990 42.059 -0.104 0.000 1.195 4319 L HN 1.039 nan 8.230 nan 0.000 0.428 4320 G N 1.327 109.993 108.800 -0.223 0.000 3.085 4320 G HA2 0.395 4.356 3.960 0.002 0.000 0.264 4320 G HA3 0.395 4.356 3.960 0.002 0.000 0.264 4320 G C -0.830 173.941 174.900 -0.215 0.000 1.206 4320 G CA -0.374 44.461 45.100 -0.442 0.000 0.809 4320 G HN 0.375 nan 8.290 nan 0.000 0.592 4321 T N 0.666 115.130 114.554 -0.149 0.000 2.916 4321 T HA 0.431 4.782 4.350 0.002 0.000 0.303 4321 T C 0.479 175.179 174.700 -0.000 0.000 1.025 4321 T CA 0.377 62.520 62.100 0.071 0.000 1.142 4321 T CB 0.912 69.838 68.868 0.097 0.000 0.947 4321 T HN 1.238 nan 8.240 nan 0.000 0.544 4322 V N 0.316 120.234 119.914 0.006 0.000 3.155 4322 V HA 0.639 4.761 4.120 0.002 0.000 0.313 4322 V C -0.676 175.384 176.094 -0.056 0.000 1.162 4322 V CA -1.338 60.932 62.300 -0.050 0.000 1.048 4322 V CB 1.837 33.610 31.823 -0.084 0.000 1.092 4322 V HN 0.612 nan 8.190 nan 0.000 0.447 4323 I N 3.437 123.968 120.570 -0.065 0.000 2.256 4323 I HA 0.292 4.464 4.170 0.002 0.000 0.294 4323 I C 0.786 176.862 176.117 -0.070 0.000 1.127 4323 I CA -0.021 61.243 61.300 -0.061 0.000 1.247 4323 I CB -0.130 37.837 38.000 -0.053 0.000 1.460 4323 I HN 0.960 nan 8.210 nan 0.000 0.511 4324 D N 3.596 123.947 120.400 -0.081 0.000 2.289 4324 D HA -0.020 4.621 4.640 0.002 0.000 0.207 4324 D C 1.445 177.706 176.300 -0.065 0.000 0.966 4324 D CA 1.035 54.977 54.000 -0.097 0.000 0.868 4324 D CB 0.334 41.046 40.800 -0.148 0.000 0.943 4324 D HN 0.667 nan 8.370 nan 0.000 0.514 4325 G N -0.275 108.496 108.800 -0.048 0.000 2.175 4325 G HA2 -0.271 3.690 3.960 0.002 0.000 0.244 4325 G HA3 -0.271 3.690 3.960 0.002 0.000 0.244 4325 G C 0.878 175.765 174.900 -0.022 0.000 0.982 4325 G CA 0.646 45.727 45.100 -0.032 0.000 0.641 4325 G HN 0.256 nan 8.290 nan 0.000 0.527 4326 M N -1.455 118.131 119.600 -0.023 0.000 3.112 4326 M HA 0.438 4.919 4.480 0.002 0.000 0.229 4326 M C 2.218 178.517 176.300 -0.002 0.000 1.673 4326 M CA 0.992 56.289 55.300 -0.004 0.000 1.303 4326 M CB -1.223 31.381 32.600 0.006 0.000 1.159 4326 M HN 0.230 nan 8.290 nan 0.000 0.588 4327 L N 0.923 122.139 121.223 -0.012 0.000 2.007 4327 L HA 0.158 4.500 4.340 0.002 0.000 0.205 4327 L C 0.364 177.220 176.870 -0.024 0.000 1.073 4327 L CA 1.510 56.344 54.840 -0.010 0.000 0.744 4327 L CB 0.029 42.082 42.059 -0.009 0.000 0.898 4327 L HN 0.125 nan 8.230 nan 0.000 0.435 4328 L N 0.171 121.372 121.223 -0.036 0.000 2.313 4328 L HA 0.248 4.589 4.340 0.002 0.000 0.283 4328 L C 0.471 177.322 176.870 -0.031 0.000 1.013 4328 L CA -0.371 54.447 54.840 -0.038 0.000 0.816 4328 L CB 1.787 43.814 42.059 -0.054 0.000 1.236 4328 L HN 0.155 nan 8.230 nan 0.000 0.419 4329 L N 2.796 124.006 121.223 -0.022 0.000 2.446 4329 L HA 0.142 4.483 4.340 0.002 0.000 0.219 4329 L C 0.475 177.332 176.870 -0.021 0.000 1.116 4329 L CA 0.571 55.399 54.840 -0.020 0.000 0.844 4329 L CB -0.274 41.776 42.059 -0.015 0.000 0.970 4329 L HN 0.643 nan 8.230 nan 0.000 0.457 4330 K N -1.397 118.990 120.400 -0.022 0.000 2.607 4330 K HA 0.308 4.630 4.320 0.002 0.000 0.287 4330 K C -0.472 176.110 176.600 -0.030 0.000 0.996 4330 K CA -0.766 55.507 56.287 -0.023 0.000 0.876 4330 K CB 0.737 33.229 32.500 -0.014 0.000 1.496 4330 K HN -0.129 nan 8.250 nan 0.000 0.415 4331 T N -1.425 113.108 114.554 -0.035 0.000 2.939 4331 T HA 0.034 4.385 4.350 0.002 0.000 0.319 4331 T C -1.784 172.888 174.700 -0.046 0.000 1.082 4331 T CA -0.509 61.562 62.100 -0.048 0.000 1.133 4331 T CB 0.114 68.951 68.868 -0.051 0.000 1.019 4331 T HN 0.360 nan 8.240 nan 0.000 0.548 4332 P HA -0.102 nan 4.420 nan 0.000 0.216 4332 P C 1.369 178.633 177.300 -0.059 0.000 1.150 4332 P CA 1.118 64.174 63.100 -0.072 0.000 0.843 4332 P CB 0.055 31.695 31.700 -0.101 0.000 0.787 4333 E N -0.090 120.075 120.200 -0.059 0.000 2.038 4333 E HA -0.201 4.151 4.350 0.002 0.000 0.195 4333 E C 1.932 178.525 176.600 -0.012 0.000 1.000 4333 E CA 1.399 57.773 56.400 -0.043 0.000 0.803 4333 E CB -0.909 28.761 29.700 -0.051 0.000 0.750 4333 E HN 0.441 nan 8.360 nan 0.000 0.448 4334 E N 0.251 120.445 120.200 -0.009 0.000 2.106 4334 E HA -0.110 4.242 4.350 0.002 0.000 0.192 4334 E C 2.199 178.819 176.600 0.034 0.000 0.984 4334 E CA 0.589 56.994 56.400 0.009 0.000 0.806 4334 E CB -0.149 29.550 29.700 -0.001 0.000 0.750 4334 E HN 0.199 nan 8.360 nan 0.000 0.458 4335 L N 1.276 122.521 121.223 0.038 0.000 2.017 4335 L HA -0.247 4.095 4.340 0.002 0.000 0.208 4335 L C 2.787 179.777 176.870 0.199 0.000 1.073 4335 L CA 1.603 56.498 54.840 0.092 0.000 0.745 4335 L CB -0.472 41.632 42.059 0.074 0.000 0.894 4335 L HN 0.221 nan 8.230 nan 0.000 0.432 4336 Q N -0.505 119.375 119.800 0.133 0.000 2.378 4336 Q HA -0.036 4.306 4.340 0.002 0.000 0.205 4336 Q C 2.131 178.258 176.000 0.211 0.000 0.954 4336 Q CA 0.926 56.849 55.803 0.200 0.000 0.901 4336 Q CB -0.241 28.453 28.738 -0.072 0.000 0.981 4336 Q HN 0.395 nan 8.270 nan 0.000 0.483 4337 A N 2.308 125.197 122.820 0.116 0.000 1.865 4337 A HA -0.191 4.130 4.320 0.002 0.000 0.217 4337 A C 1.202 178.842 177.584 0.094 0.000 1.191 4337 A CA 1.439 53.526 52.037 0.084 0.000 0.623 4337 A CB -0.471 18.557 19.000 0.048 0.000 0.826 4337 A HN 0.674 nan 8.150 nan 0.000 0.444 4338 E N -1.422 118.832 120.200 0.089 0.000 2.359 4338 E HA 0.440 4.791 4.350 0.002 0.000 0.255 4338 E C -0.485 176.149 176.600 0.057 0.000 1.191 4338 E CA -0.950 55.480 56.400 0.050 0.000 0.952 4338 E CB 0.345 30.056 29.700 0.019 0.000 1.152 4338 E HN 0.064 nan 8.360 nan 0.000 0.496 4339 R N 1.014 121.478 120.500 -0.061 0.000 3.039 4339 R HA 0.130 4.471 4.340 0.002 0.000 0.336 4339 R C 0.222 176.314 176.300 -0.348 0.000 1.258 4339 R CA -0.173 55.780 56.100 -0.246 0.000 1.125 4339 R CB -0.904 29.262 30.300 -0.222 0.000 1.427 4339 R HN 0.615 nan 8.270 nan 0.000 0.588 4340 N N 1.329 119.914 118.700 -0.192 0.000 2.173 4340 N HA -0.095 4.646 4.740 0.002 0.000 0.184 4340 N C 0.529 175.903 175.510 -0.226 0.000 1.025 4340 N CA 0.574 53.516 53.050 -0.179 0.000 0.852 4340 N CB -0.032 38.428 38.487 -0.044 0.000 0.998 4340 N HN 0.217 nan 8.380 nan 0.000 0.427 4341 F N -0.005 119.906 119.950 -0.066 0.000 2.587 4341 F HA 0.213 4.741 4.527 0.002 0.000 0.327 4341 F C 0.384 176.186 175.800 0.004 0.000 1.232 4341 F CA -0.333 57.658 58.000 -0.016 0.000 1.353 4341 F CB -0.038 38.988 39.000 0.042 0.000 1.156 4341 F HN 0.043 nan 8.300 nan 0.000 0.599 4342 H N -0.878 118.254 119.070 0.104 0.000 2.569 4342 H HA 0.318 4.876 4.556 0.003 0.000 0.357 4342 H C -0.556 174.832 175.328 0.100 0.000 1.153 4342 H CA -0.867 55.138 56.048 -0.073 0.000 1.193 4342 H CB 1.533 31.239 29.762 -0.093 0.000 1.602 4342 H HN 0.897 nan 8.280 nan 0.000 0.523 4343 T N 1.267 115.905 114.554 0.141 0.000 2.769 4343 T HA 0.378 4.729 4.350 0.002 0.000 0.293 4343 T C 0.026 174.747 174.700 0.035 0.000 0.931 4343 T CA -0.606 61.536 62.100 0.071 0.000 1.139 4343 T CB -0.408 68.417 68.868 -0.071 0.000 0.881 4343 T HN 0.351 nan 8.240 nan 0.000 0.532 4344 V N 0.217 120.264 119.914 0.222 0.000 3.087 4344 V HA 0.701 4.823 4.120 0.002 0.000 0.306 4344 V C -3.212 173.075 176.094 0.322 0.000 1.187 4344 V CA -3.272 59.120 62.300 0.154 0.000 0.999 4344 V CB 1.689 33.567 31.823 0.091 0.000 1.049 4344 V HN 0.514 nan 8.190 nan 0.000 0.431 4345 P HA 0.138 nan 4.420 nan 0.000 0.262 4345 P C -1.424 176.213 177.300 0.562 0.000 1.182 4345 P CA 0.693 63.998 63.100 0.343 0.000 0.761 4345 P CB -0.123 31.593 31.700 0.025 0.000 0.795 4346 Y N 3.697 124.247 120.300 0.417 0.000 2.346 4346 Y HA 0.496 5.047 4.550 0.002 0.000 0.332 4346 Y C -0.605 175.316 175.900 0.035 0.000 0.985 4346 Y CA -1.441 56.743 58.100 0.140 0.000 1.112 4346 Y CB 1.372 39.564 38.460 -0.446 0.000 1.170 4346 Y HN 0.224 nan 8.280 nan 0.000 0.447 4347 M N 7.454 127.029 119.600 -0.042 0.000 2.268 4347 M HA 0.612 5.094 4.480 0.002 0.000 0.344 4347 M C -2.141 173.898 176.300 -0.436 0.000 1.106 4347 M CA -0.674 54.361 55.300 -0.441 0.000 1.010 4347 M CB 1.085 33.066 32.600 -1.030 0.000 1.649 4347 M HN 0.436 nan 8.290 nan 0.000 0.443 4348 V N 4.429 124.078 119.914 -0.442 0.000 2.525 4348 V HA 0.860 4.982 4.120 0.002 0.000 0.299 4348 V C 0.119 175.930 176.094 -0.473 0.000 1.034 4348 V CA -0.576 61.434 62.300 -0.483 0.000 0.863 4348 V CB 1.544 32.976 31.823 -0.651 0.000 0.999 4348 V HN 1.022 nan 8.190 nan 0.000 0.423 4349 G N 3.865 112.310 108.800 -0.592 0.000 2.733 4349 G HA2 0.935 4.897 3.960 0.002 0.000 0.288 4349 G HA3 0.935 4.897 3.960 0.002 0.000 0.288 4349 G C -1.238 173.283 174.900 -0.632 0.000 1.373 4349 G CA -0.679 43.657 45.100 -1.274 0.000 0.895 4349 G HN 0.974 nan 8.290 nan 0.000 0.479 4350 I N -2.835 117.432 120.570 -0.505 0.000 3.195 4350 I HA 0.569 4.741 4.170 0.002 0.000 0.313 4350 I C -1.252 174.925 176.117 0.100 0.000 1.237 4350 I CA -1.348 59.894 61.300 -0.097 0.000 0.963 4350 I CB 2.367 40.333 38.000 -0.055 0.000 1.278 4350 I HN 0.453 nan 8.210 nan 0.000 0.460 4351 N N 1.466 120.256 118.700 0.150 0.000 2.430 4351 N HA 0.269 5.011 4.740 0.002 0.000 0.298 4351 N C 0.077 175.689 175.510 0.171 0.000 1.130 4351 N CA -0.851 52.353 53.050 0.257 0.000 0.894 4351 N CB 2.121 40.771 38.487 0.272 0.000 1.209 4351 N HN 0.537 nan 8.380 nan 0.000 0.503 4352 K N 0.783 121.290 120.400 0.179 0.000 2.044 4352 K HA -0.175 4.146 4.320 0.002 0.000 0.210 4352 K C 0.082 176.756 176.600 0.123 0.000 1.049 4352 K CA 1.857 58.220 56.287 0.128 0.000 0.927 4352 K CB 0.125 32.688 32.500 0.105 0.000 0.713 4352 K HN 0.544 nan 8.250 nan 0.000 0.443 4353 Q N 0.256 120.137 119.800 0.135 0.000 2.849 4353 Q HA 0.114 4.455 4.340 0.002 0.000 0.289 4353 Q C -0.189 175.891 176.000 0.133 0.000 1.012 4353 Q CA -0.304 55.580 55.803 0.135 0.000 0.899 4353 Q CB 1.415 30.233 28.738 0.134 0.000 1.235 4353 Q HN 0.183 nan 8.270 nan 0.000 0.457 4354 E N 0.268 120.522 120.200 0.089 0.000 2.160 4354 E HA -0.159 4.192 4.350 0.002 0.000 0.195 4354 E C 0.155 176.770 176.600 0.026 0.000 0.991 4354 E CA 1.202 57.587 56.400 -0.026 0.000 0.810 4354 E CB 0.202 29.720 29.700 -0.302 0.000 0.742 4354 E HN 0.389 nan 8.360 nan 0.000 0.466 4355 F N 0.173 120.095 119.950 -0.046 0.000 2.739 4355 F HA 0.364 4.893 4.527 0.003 0.000 0.345 4355 F C 1.163 176.963 175.800 0.000 0.000 1.373 4355 F CA -0.398 57.568 58.000 -0.057 0.000 1.160 4355 F CB 0.701 39.647 39.000 -0.090 0.000 1.137 4355 F HN -0.126 nan 8.300 nan 0.000 0.524 4356 G N -0.206 108.627 108.800 0.056 0.000 2.673 4356 G HA2 -0.077 3.884 3.960 0.002 0.000 0.208 4356 G HA3 -0.077 3.884 3.960 0.002 0.000 0.208 4356 G C 0.717 175.706 174.900 0.148 0.000 1.128 4356 G CA 0.431 45.602 45.100 0.118 0.000 0.805 4356 G HN 0.604 nan 8.290 nan 0.000 0.526 4357 W N -0.865 120.369 121.300 -0.110 0.000 5.384 4357 W HA 0.312 4.973 4.660 0.003 0.000 0.169 4357 W C 1.769 178.214 176.519 -0.123 0.000 2.358 4357 W CA 0.233 57.523 57.345 -0.092 0.000 2.043 4357 W CB -0.513 28.938 29.460 -0.015 0.000 0.884 4357 W HN -0.011 nan 8.180 nan 0.000 1.055 4358 L N 2.005 123.277 121.223 0.081 0.000 1.976 4358 L HA -0.247 4.094 4.340 0.002 0.000 0.223 4358 L C 2.168 178.848 176.870 -0.318 0.000 1.081 4358 L CA 2.929 57.691 54.840 -0.129 0.000 0.784 4358 L CB -1.222 40.995 42.059 0.262 0.000 0.896 4358 L HN 0.244 nan 8.230 nan 0.000 0.438 4359 I N -0.755 119.639 120.570 -0.293 0.000 2.127 4359 I HA -0.237 3.935 4.170 0.002 0.000 0.241 4359 I C -0.323 175.474 176.117 -0.534 0.000 1.075 4359 I CA 1.523 62.600 61.300 -0.372 0.000 1.334 4359 I CB -1.590 36.179 38.000 -0.385 0.000 1.040 4359 I HN 0.298 nan 8.210 nan 0.000 0.405 4360 P HA -0.160 nan 4.420 nan 0.000 0.218 4360 P C 1.050 178.138 177.300 -0.353 0.000 1.148 4360 P CA 1.178 63.844 63.100 -0.724 0.000 0.822 4360 P CB 0.002 31.234 31.700 -0.780 0.000 0.784 4364 M N -0.201 119.382 119.600 -0.028 0.000 2.431 4364 M HA 0.223 4.705 4.480 0.002 0.000 0.237 4364 M C 0.494 176.877 176.300 0.138 0.000 1.130 4364 M CA 0.109 55.466 55.300 0.096 0.000 1.002 4364 M CB 0.577 33.303 32.600 0.209 0.000 1.524 4364 M HN 0.174 nan 8.290 nan 0.000 0.482 4365 S N 0.542 116.281 115.700 0.065 0.000 3.631 4365 S HA -0.183 4.289 4.470 0.002 0.000 0.366 4365 S C -0.400 174.271 174.600 0.119 0.000 0.993 4365 S CA 0.372 58.607 58.200 0.058 0.000 1.167 4365 S CB -1.912 61.302 63.200 0.022 0.000 0.909 4365 S HN 0.444 nan 8.310 nan 0.000 0.478 4366 Y N 1.288 121.586 120.300 -0.004 0.000 2.425 4366 Y HA 0.306 4.857 4.550 0.003 0.000 0.331 4366 Y C -1.819 174.108 175.900 0.046 0.000 1.157 4366 Y CA -1.528 56.607 58.100 0.057 0.000 1.372 4366 Y CB 0.295 38.825 38.460 0.116 0.000 1.253 4366 Y HN 0.078 nan 8.280 nan 0.000 0.536 4367 P HA 0.194 nan 4.420 nan 0.000 0.268 4367 P C -0.389 176.969 177.300 0.097 0.000 1.485 4367 P CA 0.552 63.681 63.100 0.048 0.000 1.102 4367 P CB -0.011 31.681 31.700 -0.014 0.000 1.501 4368 L N 1.177 122.467 121.223 0.113 0.000 3.519 4368 L HA 0.050 4.392 4.340 0.002 0.000 0.323 4368 L C 1.564 178.487 176.870 0.088 0.000 1.289 4368 L CA 0.102 55.013 54.840 0.118 0.000 1.039 4368 L CB 0.138 42.304 42.059 0.179 0.000 1.438 4368 L HN 0.165 nan 8.230 nan 0.000 0.619 4369 S N -0.941 114.800 115.700 0.068 0.000 2.520 4369 S HA -0.142 4.330 4.470 0.002 0.000 0.249 4369 S C 1.396 176.028 174.600 0.054 0.000 0.983 4369 S CA 1.091 59.327 58.200 0.059 0.000 0.958 4369 S CB -0.083 63.143 63.200 0.044 0.000 0.750 4369 S HN 0.369 nan 8.310 nan 0.000 0.527 4370 E N 0.497 120.729 120.200 0.052 0.000 2.452 4370 E HA 0.210 4.562 4.350 0.002 0.000 0.197 4370 E C 1.665 178.297 176.600 0.053 0.000 1.022 4370 E CA 0.591 57.017 56.400 0.044 0.000 0.890 4370 E CB -0.044 29.676 29.700 0.032 0.000 0.918 4370 E HN 0.646 nan 8.360 nan 0.000 0.496 4371 G N 2.076 110.918 108.800 0.070 0.000 2.196 4371 G HA2 -0.324 3.637 3.960 0.002 0.000 0.268 4371 G HA3 -0.324 3.637 3.960 0.002 0.000 0.268 4371 G C 0.321 175.265 174.900 0.073 0.000 0.975 4371 G CA 1.249 46.398 45.100 0.082 0.000 0.648 4371 G HN 0.404 nan 8.290 nan 0.000 0.538 4372 Q N -1.299 118.533 119.800 0.053 0.000 2.433 4372 Q HA 0.899 5.240 4.340 0.002 0.000 0.279 4372 Q C -1.301 174.712 176.000 0.020 0.000 1.105 4372 Q CA -1.290 54.538 55.803 0.042 0.000 0.815 4372 Q CB 2.738 31.496 28.738 0.033 0.000 1.403 4372 Q HN 0.475 nan 8.270 nan 0.000 0.435 4373 L N 1.498 122.727 121.223 0.010 0.000 2.549 4373 L HA 0.344 4.685 4.340 0.002 0.000 0.259 4373 L C -1.888 174.970 176.870 -0.021 0.000 0.934 4373 L CA -0.152 54.668 54.840 -0.033 0.000 0.865 4373 L CB 2.339 44.340 42.059 -0.096 0.000 1.352 4373 L HN 0.867 nan 8.230 nan 0.000 0.410 4374 D N 3.261 123.643 120.400 -0.030 0.000 2.272 4374 D HA 0.229 4.870 4.640 0.002 0.000 0.247 4374 D C 0.090 176.379 176.300 -0.019 0.000 0.990 4374 D CA -0.609 53.385 54.000 -0.010 0.000 0.931 4374 D CB 1.421 42.218 40.800 -0.004 0.000 1.195 4374 D HN 0.492 nan 8.370 nan 0.000 0.477 4375 Q N 0.841 120.644 119.800 0.007 0.000 2.103 4375 Q HA -0.249 4.092 4.340 0.002 0.000 0.213 4375 Q C 1.770 177.776 176.000 0.009 0.000 1.008 4375 Q CA 1.901 57.716 55.803 0.020 0.000 0.879 4375 Q CB -0.297 28.460 28.738 0.031 0.000 0.946 4375 Q HN 0.550 nan 8.270 nan 0.000 0.413 4376 K N -0.213 120.189 120.400 0.003 0.000 2.032 4376 K HA -0.122 4.199 4.320 0.002 0.000 0.209 4376 K C 2.287 178.883 176.600 -0.007 0.000 1.048 4376 K CA 1.817 58.106 56.287 0.004 0.000 0.927 4376 K CB -0.243 32.258 32.500 0.002 0.000 0.712 4376 K HN 0.254 nan 8.250 nan 0.000 0.441 4377 T N 1.171 115.705 114.554 -0.033 0.000 2.708 4377 T HA -0.158 4.193 4.350 0.002 0.000 0.266 4377 T C 2.066 176.696 174.700 -0.118 0.000 1.037 4377 T CA 1.335 63.399 62.100 -0.061 0.000 1.146 4377 T CB -0.386 68.435 68.868 -0.079 0.000 0.865 4377 T HN 0.327 nan 8.240 nan 0.000 0.435 4378 A N 1.991 124.701 122.820 -0.182 0.000 1.873 4378 A HA -0.172 4.150 4.320 0.002 0.000 0.218 4378 A C 2.409 179.982 177.584 -0.018 0.000 1.193 4378 A CA 2.065 53.907 52.037 -0.326 0.000 0.629 4378 A CB -0.907 17.989 19.000 -0.174 0.000 0.826 4378 A HN 0.477 nan 8.150 nan 0.000 0.447 4379 M N -0.788 118.854 119.600 0.071 0.000 2.108 4379 M HA -0.165 4.317 4.480 0.002 0.000 0.261 4379 M C 2.555 178.961 176.300 0.176 0.000 1.066 4379 M CA 1.846 57.233 55.300 0.145 0.000 1.107 4379 M CB -0.428 32.226 32.600 0.090 0.000 1.356 4379 M HN 0.572 nan 8.290 nan 0.000 0.406 4380 S N 0.790 116.558 115.700 0.114 0.000 2.356 4380 S HA -0.096 4.376 4.470 0.002 0.000 0.223 4380 S C 1.823 176.528 174.600 0.175 0.000 1.032 4380 S CA 1.108 59.395 58.200 0.145 0.000 1.005 4380 S CB -0.219 63.024 63.200 0.071 0.000 0.867 4380 S HN 0.417 nan 8.310 nan 0.000 0.449 4381 L N 0.606 121.893 121.223 0.107 0.000 2.046 4381 L HA -0.063 4.278 4.340 0.002 0.000 0.208 4381 L C 2.502 179.570 176.870 0.330 0.000 1.077 4381 L CA 0.899 55.828 54.840 0.148 0.000 0.747 4381 L CB -0.485 41.613 42.059 0.064 0.000 0.896 4381 L HN 0.359 nan 8.230 nan 0.000 0.432 4382 L N -0.596 120.899 121.223 0.453 0.000 2.083 4382 L HA -0.258 4.084 4.340 0.002 0.000 0.209 4382 L C 2.184 179.299 176.870 0.408 0.000 1.083 4382 L CA 1.745 56.864 54.840 0.466 0.000 0.752 4382 L CB -0.660 41.687 42.059 0.479 0.000 0.899 4382 L HN 0.355 nan 8.230 nan 0.000 0.433 4383 W N 0.160 121.561 121.300 0.169 0.000 2.381 4383 W HA -0.204 4.456 4.660 -0.000 0.000 0.301 4383 W C 2.020 178.617 176.519 0.130 0.000 1.205 4383 W CA 0.672 58.097 57.345 0.133 0.000 1.285 4383 W CB 0.118 29.619 29.460 0.069 0.000 1.133 4383 W HN 0.029 nan 8.180 nan 0.000 0.521 4384 K N 0.612 120.999 120.400 -0.021 0.000 2.147 4384 K HA -0.095 4.226 4.320 0.002 0.000 0.205 4384 K C 1.743 178.271 176.600 -0.121 0.000 1.049 4384 K CA 1.318 57.490 56.287 -0.192 0.000 0.936 4384 K CB -0.809 31.618 32.500 -0.123 0.000 0.722 4384 K HN 0.035 nan 8.250 nan 0.000 0.446 4385 S N 1.000 116.721 115.700 0.036 0.000 2.660 4385 S HA -0.061 4.410 4.470 0.002 0.000 0.223 4385 S C 1.248 175.877 174.600 0.048 0.000 0.963 4385 S CA -0.118 58.144 58.200 0.102 0.000 0.932 4385 S CB -0.401 62.923 63.200 0.207 0.000 0.775 4385 S HN 0.271 nan 8.310 nan 0.000 0.531 4386 Y N 3.922 124.135 120.300 -0.145 0.000 2.096 4386 Y HA -0.194 4.358 4.550 0.003 0.000 0.278 4386 Y C -0.731 175.106 175.900 -0.105 0.000 1.192 4386 Y CA 1.810 59.822 58.100 -0.147 0.000 1.143 4386 Y CB -1.307 36.911 38.460 -0.403 0.000 0.963 4386 Y HN 0.263 nan 8.280 nan 0.000 0.505 4387 P HA -0.171 nan 4.420 nan 0.000 0.223 4387 P C 1.439 178.633 177.300 -0.177 0.000 1.144 4387 P CA 1.679 64.685 63.100 -0.157 0.000 0.783 4387 P CB -0.087 31.588 31.700 -0.041 0.000 0.771 4388 L N -0.831 120.306 121.223 -0.143 0.000 2.316 4388 L HA 0.021 4.362 4.340 0.002 0.000 0.207 4388 L C 2.430 179.146 176.870 -0.257 0.000 1.070 4388 L CA 0.853 55.596 54.840 -0.162 0.000 0.820 4388 L CB -0.207 41.799 42.059 -0.089 0.000 0.992 4388 L HN -0.118 nan 8.230 nan 0.000 0.466 4389 V N -6.310 113.456 119.914 -0.246 0.000 3.570 4389 V HA 0.144 4.265 4.120 0.002 0.000 0.257 4389 V C 1.112 177.078 176.094 -0.214 0.000 1.272 4389 V CA -0.439 61.711 62.300 -0.251 0.000 1.079 4389 V CB 0.050 31.746 31.823 -0.212 0.000 0.829 4389 V HN 0.425 nan 8.190 nan 0.000 0.454 4390 C N 1.556 120.645 119.300 -0.351 0.000 4.300 4390 C HA -0.155 4.306 4.460 0.002 0.000 0.304 4390 C C 0.478 175.536 174.990 0.114 0.000 1.367 4390 C CA 0.128 58.845 59.018 -0.500 0.000 2.032 4390 C CB -3.000 24.471 27.740 -0.448 0.000 1.285 4390 C HN 0.664 nan 8.230 nan 0.000 0.737 4391 I N 1.121 121.918 120.570 0.379 0.000 2.336 4391 I HA 0.504 4.676 4.170 0.002 0.000 0.292 4391 I C 0.965 177.457 176.117 0.625 0.000 0.991 4391 I CA -0.013 61.605 61.300 0.529 0.000 1.227 4391 I CB 1.161 39.413 38.000 0.419 0.000 1.366 4391 I HN 0.495 nan 8.210 nan 0.000 0.466 4392 A N 5.945 129.051 122.820 0.477 0.000 2.483 4392 A HA 0.062 4.383 4.320 0.002 0.000 0.238 4392 A C 1.433 179.102 177.584 0.142 0.000 1.070 4392 A CA -0.061 52.172 52.037 0.327 0.000 0.770 4392 A CB 0.235 19.358 19.000 0.205 0.000 1.008 4392 A HN 0.929 nan 8.150 nan 0.000 0.497 4393 K N 0.624 120.939 120.400 -0.142 0.000 2.074 4393 K HA -0.229 4.092 4.320 0.002 0.000 0.209 4393 K C 1.750 178.228 176.600 -0.204 0.000 1.048 4393 K CA 2.240 58.261 56.287 -0.443 0.000 0.926 4393 K CB -0.097 31.865 32.500 -0.897 0.000 0.713 4393 K HN 0.926 nan 8.250 nan 0.000 0.444 4394 E N 0.089 120.213 120.200 -0.126 0.000 2.418 4394 E HA -0.150 4.202 4.350 0.002 0.000 0.197 4394 E C 1.571 178.154 176.600 -0.028 0.000 1.026 4394 E CA 0.684 57.039 56.400 -0.075 0.000 0.862 4394 E CB -0.043 29.623 29.700 -0.057 0.000 0.799 4394 E HN 0.343 nan 8.360 nan 0.000 0.518 4395 L N 0.435 121.663 121.223 0.007 0.000 2.513 4395 L HA 0.151 4.492 4.340 0.002 0.000 0.222 4395 L C 2.266 179.167 176.870 0.050 0.000 1.096 4395 L CA -0.052 54.795 54.840 0.012 0.000 0.857 4395 L CB -0.127 41.940 42.059 0.013 0.000 1.026 4395 L HN 0.109 nan 8.230 nan 0.000 0.469 4396 I N 0.951 121.572 120.570 0.085 0.000 2.151 4396 I HA -0.231 3.940 4.170 0.002 0.000 0.243 4396 I C -0.273 175.912 176.117 0.113 0.000 1.080 4396 I CA 1.736 63.119 61.300 0.138 0.000 1.339 4396 I CB -1.357 36.729 38.000 0.143 0.000 1.039 4396 I HN 0.204 nan 8.210 nan 0.000 0.409 4397 P HA -0.219 nan 4.420 nan 0.000 0.215 4397 P C 1.515 178.855 177.300 0.067 0.000 1.157 4397 P CA 1.532 64.664 63.100 0.054 0.000 0.868 4397 P CB -0.023 31.688 31.700 0.018 0.000 0.788 4398 E N -0.601 119.631 120.200 0.054 0.000 2.077 4398 E HA -0.197 4.154 4.350 0.002 0.000 0.193 4398 E C 1.913 178.597 176.600 0.139 0.000 0.989 4398 E CA 1.203 57.645 56.400 0.071 0.000 0.800 4398 E CB -0.473 29.246 29.700 0.032 0.000 0.746 4398 E HN 0.054 nan 8.360 nan 0.000 0.452 4399 A N 0.217 123.121 122.820 0.140 0.000 1.873 4399 A HA -0.154 4.167 4.320 0.002 0.000 0.215 4399 A C 2.395 180.115 177.584 0.228 0.000 1.186 4399 A CA 1.979 54.133 52.037 0.196 0.000 0.616 4399 A CB -0.960 18.170 19.000 0.217 0.000 0.823 4399 A HN 0.314 nan 8.150 nan 0.000 0.442 4400 T N -0.324 114.355 114.554 0.208 0.000 2.684 4400 T HA -0.157 4.195 4.350 0.002 0.000 0.267 4400 T C 1.930 176.731 174.700 0.169 0.000 1.036 4400 T CA 1.781 64.013 62.100 0.219 0.000 1.148 4400 T CB -0.277 68.704 68.868 0.188 0.000 0.863 4400 T HN 0.607 nan 8.240 nan 0.000 0.436 4401 E N 1.467 121.730 120.200 0.106 0.000 2.085 4401 E HA -0.165 4.186 4.350 0.002 0.000 0.194 4401 E C 2.082 178.686 176.600 0.007 0.000 0.994 4401 E CA 1.486 57.919 56.400 0.054 0.000 0.801 4401 E CB -0.276 29.444 29.700 0.033 0.000 0.743 4401 E HN 0.256 nan 8.360 nan 0.000 0.453 4402 K N -0.798 119.576 120.400 -0.042 0.000 2.032 4402 K HA -0.170 4.152 4.320 0.002 0.000 0.209 4402 K C 1.930 178.386 176.600 -0.241 0.000 1.048 4402 K CA 1.752 57.876 56.287 -0.272 0.000 0.927 4402 K CB -0.652 31.416 32.500 -0.720 0.000 0.712 4402 K HN 0.281 nan 8.250 nan 0.000 0.441 4403 Y N -0.339 119.882 120.300 -0.132 0.000 2.347 4403 Y HA 0.154 4.706 4.550 0.002 0.000 0.294 4403 Y C 1.597 177.512 175.900 0.025 0.000 1.117 4403 Y CA 0.895 58.976 58.100 -0.032 0.000 1.184 4403 Y CB 0.278 38.781 38.460 0.071 0.000 1.047 4403 Y HN -0.067 nan 8.280 nan 0.000 0.546 4404 L N -1.791 119.552 121.223 0.200 0.000 2.640 4404 L HA 0.302 4.643 4.340 0.002 0.000 0.230 4404 L C 2.110 179.024 176.870 0.074 0.000 1.123 4404 L CA 0.544 55.470 54.840 0.145 0.000 0.900 4404 L CB -0.426 41.734 42.059 0.167 0.000 1.146 4404 L HN 0.149 nan 8.230 nan 0.000 0.484 4405 G N 0.464 109.289 108.800 0.041 0.000 2.708 4405 G HA2 -0.035 3.926 3.960 0.002 0.000 0.210 4405 G HA3 -0.035 3.926 3.960 0.002 0.000 0.210 4405 G C 1.379 176.279 174.900 -0.000 0.000 1.141 4405 G CA 0.647 45.755 45.100 0.014 0.000 0.788 4405 G HN 0.429 nan 8.290 nan 0.000 0.531 4406 G N 0.471 109.270 108.800 -0.001 0.000 2.496 4406 G HA2 0.142 4.103 3.960 0.002 0.000 0.214 4406 G HA3 0.142 4.103 3.960 0.002 0.000 0.214 4406 G C 1.142 176.045 174.900 0.006 0.000 1.234 4406 G CA 1.454 46.549 45.100 -0.008 0.000 0.807 4406 G HN 0.613 nan 8.290 nan 0.000 0.543 4407 T N -2.134 112.432 114.554 0.020 0.000 2.893 4407 T HA 0.537 4.888 4.350 0.002 0.000 0.279 4407 T C 0.067 174.783 174.700 0.027 0.000 0.991 4407 T CA 0.090 62.203 62.100 0.022 0.000 0.950 4407 T CB 1.795 70.680 68.868 0.028 0.000 1.223 4407 T HN 0.065 nan 8.240 nan 0.000 0.585 4408 D N -1.315 119.100 120.400 0.025 0.000 2.449 4408 D HA 0.137 4.779 4.640 0.002 0.000 0.210 4408 D C -0.022 176.295 176.300 0.027 0.000 1.094 4408 D CA -0.270 53.744 54.000 0.024 0.000 0.846 4408 D CB 0.149 40.959 40.800 0.018 0.000 1.003 4408 D HN 0.583 nan 8.370 nan 0.000 0.504 4409 D N 1.575 121.993 120.400 0.031 0.000 2.389 4409 D HA -0.066 4.575 4.640 0.002 0.000 0.263 4409 D C 1.390 177.714 176.300 0.041 0.000 1.255 4409 D CA 0.488 54.508 54.000 0.034 0.000 0.914 4409 D CB 0.968 41.789 40.800 0.036 0.000 1.116 4409 D HN 0.141 nan 8.370 nan 0.000 0.502 4410 T N 0.492 115.067 114.554 0.036 0.000 2.977 4410 T HA -0.107 4.245 4.350 0.002 0.000 0.271 4410 T C 1.804 176.534 174.700 0.050 0.000 1.105 4410 T CA 0.697 62.819 62.100 0.037 0.000 1.116 4410 T CB 0.036 68.919 68.868 0.025 0.000 0.878 4410 T HN 0.227 nan 8.240 nan 0.000 0.509 4411 V N 1.086 121.032 119.914 0.053 0.000 2.446 4411 V HA 0.030 4.151 4.120 0.002 0.000 0.244 4411 V C 2.739 178.883 176.094 0.083 0.000 1.039 4411 V CA 1.298 63.637 62.300 0.065 0.000 1.045 4411 V CB -0.381 31.475 31.823 0.055 0.000 0.681 4411 V HN 0.447 nan 8.190 nan 0.000 0.459 4412 K N 0.212 120.657 120.400 0.075 0.000 2.097 4412 K HA -0.138 4.183 4.320 0.002 0.000 0.205 4412 K C 2.201 178.871 176.600 0.116 0.000 1.050 4412 K CA 1.165 57.504 56.287 0.087 0.000 0.938 4412 K CB -0.156 32.385 32.500 0.068 0.000 0.718 4412 K HN 0.381 nan 8.250 nan 0.000 0.442 4413 K N 1.026 121.490 120.400 0.107 0.000 2.097 4413 K HA -0.149 4.172 4.320 0.002 0.000 0.206 4413 K C 2.158 178.870 176.600 0.187 0.000 1.049 4413 K CA 1.015 57.382 56.287 0.133 0.000 0.933 4413 K CB 0.015 32.569 32.500 0.089 0.000 0.717 4413 K HN 0.055 nan 8.250 nan 0.000 0.442 4414 K N 1.336 121.830 120.400 0.157 0.000 2.025 4414 K HA -0.185 4.137 4.320 0.002 0.000 0.207 4414 K C 1.315 178.085 176.600 0.284 0.000 1.049 4414 K CA 1.724 58.136 56.287 0.208 0.000 0.933 4414 K CB -0.017 32.573 32.500 0.150 0.000 0.714 4414 K HN 0.069 nan 8.250 nan 0.000 0.438 4415 D N 1.271 121.797 120.400 0.210 0.000 2.092 4415 D HA -0.186 4.455 4.640 0.002 0.000 0.193 4415 D C 2.144 178.580 176.300 0.227 0.000 0.994 4415 D CA 1.190 55.309 54.000 0.199 0.000 0.828 4415 D CB -0.328 40.561 40.800 0.147 0.000 0.963 4415 D HN 0.233 nan 8.370 nan 0.000 0.450 4416 L N 0.002 121.365 121.223 0.234 0.000 2.127 4416 L HA -0.178 4.163 4.340 0.002 0.000 0.211 4416 L C 2.415 179.470 176.870 0.309 0.000 1.089 4416 L CA 0.613 55.621 54.840 0.279 0.000 0.757 4416 L CB -0.367 41.851 42.059 0.264 0.000 0.899 4416 L HN -0.024 nan 8.230 nan 0.000 0.434 4417 F N 0.430 120.473 119.950 0.154 0.000 2.234 4417 F HA -0.160 4.368 4.527 0.002 0.000 0.299 4417 F C 2.077 177.929 175.800 0.086 0.000 1.087 4417 F CA 1.316 59.382 58.000 0.111 0.000 1.340 4417 F CB -0.067 39.009 39.000 0.127 0.000 1.031 4417 F HN -0.110 nan 8.300 nan 0.000 0.500 4418 L N -0.328 120.977 121.223 0.137 0.000 2.156 4418 L HA -0.164 4.178 4.340 0.002 0.000 0.208 4418 L C 2.035 178.917 176.870 0.021 0.000 1.095 4418 L CA 1.072 55.975 54.840 0.106 0.000 0.770 4418 L CB -0.777 41.437 42.059 0.258 0.000 0.914 4418 L HN 0.070 nan 8.230 nan 0.000 0.439 4419 D N 0.153 120.597 120.400 0.073 0.000 2.144 4419 D HA -0.153 4.488 4.640 0.002 0.000 0.200 4419 D C 2.166 178.434 176.300 -0.054 0.000 0.978 4419 D CA 0.778 54.844 54.000 0.109 0.000 0.833 4419 D CB 0.010 40.967 40.800 0.261 0.000 0.961 4419 D HN 0.116 nan 8.370 nan 0.000 0.470 4420 L N 1.757 122.789 121.223 -0.319 0.000 1.956 4420 L HA -0.185 4.157 4.340 0.002 0.000 0.216 4420 L C 2.259 178.795 176.870 -0.557 0.000 1.073 4420 L CA 1.582 55.962 54.840 -0.767 0.000 0.762 4420 L CB -1.211 40.426 42.059 -0.704 0.000 0.889 4420 L HN 0.006 nan 8.230 nan 0.000 0.433 4421 I N 0.128 120.326 120.570 -0.620 0.000 2.264 4421 I HA -0.296 3.875 4.170 0.002 0.000 0.248 4421 I C 2.709 178.545 176.117 -0.469 0.000 1.111 4421 I CA 1.176 62.060 61.300 -0.693 0.000 1.382 4421 I CB -0.578 36.738 38.000 -1.140 0.000 1.060 4421 I HN 0.376 nan 8.210 nan 0.000 0.418 4422 A N 0.627 123.308 122.820 -0.231 0.000 1.877 4422 A HA -0.230 4.092 4.320 0.002 0.000 0.216 4422 A C 1.939 179.538 177.584 0.025 0.000 1.186 4422 A CA 2.032 54.096 52.037 0.044 0.000 0.620 4422 A CB -0.544 18.528 19.000 0.120 0.000 0.822 4422 A HN 0.334 nan 8.150 nan 0.000 0.443 4423 D N -0.367 119.997 120.400 -0.060 0.000 2.144 4423 D HA -0.080 4.562 4.640 0.002 0.000 0.200 4423 D C 1.967 178.098 176.300 -0.281 0.000 0.978 4423 D CA 1.334 55.302 54.000 -0.053 0.000 0.833 4423 D CB -0.307 40.574 40.800 0.134 0.000 0.961 4423 D HN 0.237 nan 8.370 nan 0.000 0.470 4424 V N 0.536 120.134 119.914 -0.526 0.000 2.719 4424 V HA -0.116 4.005 4.120 0.002 0.000 0.252 4424 V C 2.277 178.091 176.094 -0.466 0.000 1.065 4424 V CA 1.070 62.972 62.300 -0.663 0.000 1.086 4424 V CB -0.234 31.088 31.823 -0.836 0.000 0.700 4424 V HN 0.200 nan 8.190 nan 0.000 0.467 4425 M N -1.850 117.489 119.600 -0.435 0.000 2.429 4425 M HA 0.135 4.616 4.480 0.002 0.000 0.265 4425 M C 1.771 177.589 176.300 -0.804 0.000 1.120 4425 M CA 1.837 56.751 55.300 -0.643 0.000 1.173 4425 M CB -0.001 32.141 32.600 -0.763 0.000 1.343 4425 M HN 0.341 nan 8.290 nan 0.000 0.464 4426 F N -1.146 118.717 119.950 -0.144 0.000 2.537 4426 F HA 0.354 4.883 4.527 0.003 0.000 0.275 4426 F C 2.428 178.167 175.800 -0.101 0.000 0.947 4426 F CA 0.348 58.291 58.000 -0.094 0.000 1.238 4426 F CB -1.366 37.617 39.000 -0.028 0.000 1.071 4426 F HN 0.042 nan 8.300 nan 0.000 0.749 4427 G N 1.031 109.903 108.800 0.120 0.000 2.628 4427 G HA2 -0.238 3.723 3.960 0.002 0.000 0.217 4427 G HA3 -0.238 3.723 3.960 0.002 0.000 0.217 4427 G C 1.727 176.621 174.900 -0.011 0.000 1.240 4427 G CA 1.917 47.039 45.100 0.037 0.000 0.792 4427 G HN 0.177 nan 8.290 nan 0.000 0.593 4428 V N 2.233 122.139 119.914 -0.014 0.000 2.287 4428 V HA -0.120 4.002 4.120 0.002 0.000 0.248 4428 V C 0.390 176.460 176.094 -0.039 0.000 1.053 4428 V CA 2.351 64.656 62.300 0.009 0.000 1.027 4428 V CB -1.185 30.657 31.823 0.032 0.000 0.646 4428 V HN 0.312 nan 8.190 nan 0.000 0.447 4429 P HA -0.081 nan 4.420 nan 0.000 0.216 4429 P C 2.035 179.267 177.300 -0.113 0.000 1.153 4429 P CA 1.650 64.677 63.100 -0.122 0.000 0.848 4429 P CB -0.067 31.521 31.700 -0.187 0.000 0.787 4430 S N -0.772 114.861 115.700 -0.111 0.000 2.368 4430 S HA -0.110 4.361 4.470 0.002 0.000 0.225 4430 S C 1.991 176.473 174.600 -0.197 0.000 1.030 4430 S CA 1.226 59.333 58.200 -0.155 0.000 0.999 4430 S CB -1.206 61.906 63.200 -0.146 0.000 0.844 4430 S HN -0.050 nan 8.310 nan 0.000 0.459 4431 V N 1.943 121.764 119.914 -0.154 0.000 2.358 4431 V HA -0.122 4.000 4.120 0.002 0.000 0.246 4431 V C 2.043 178.100 176.094 -0.062 0.000 1.047 4431 V CA 1.365 63.576 62.300 -0.147 0.000 1.035 4431 V CB -0.589 31.198 31.823 -0.060 0.000 0.658 4431 V HN 0.445 nan 8.190 nan 0.000 0.452 4432 I N -0.447 120.105 120.570 -0.030 0.000 2.226 4432 I HA -0.216 3.956 4.170 0.002 0.000 0.245 4432 I C 2.400 178.509 176.117 -0.014 0.000 1.100 4432 I CA 1.282 62.584 61.300 0.004 0.000 1.374 4432 I CB -0.363 37.636 38.000 -0.001 0.000 1.057 4432 I HN 0.146 nan 8.210 nan 0.000 0.413 4433 V N 0.992 120.866 119.914 -0.068 0.000 2.407 4433 V HA -0.299 3.822 4.120 0.002 0.000 0.248 4433 V C 2.653 178.713 176.094 -0.056 0.000 1.055 4433 V CA 1.998 64.251 62.300 -0.078 0.000 1.049 4433 V CB -0.840 30.912 31.823 -0.118 0.000 0.662 4433 V HN 0.498 nan 8.190 nan 0.000 0.455 4434 A N -0.268 122.474 122.820 -0.131 0.000 1.873 4434 A HA -0.198 4.123 4.320 0.002 0.000 0.215 4434 A C 2.359 180.032 177.584 0.149 0.000 1.186 4434 A CA 1.640 53.598 52.037 -0.133 0.000 0.616 4434 A CB -0.473 18.238 19.000 -0.481 0.000 0.823 4434 A HN 0.483 nan 8.150 nan 0.000 0.442 4435 R N -0.398 120.223 120.500 0.200 0.000 2.091 4435 R HA -0.152 4.189 4.340 0.002 0.000 0.238 4435 R C 1.910 178.329 176.300 0.199 0.000 1.136 4435 R CA 1.760 58.026 56.100 0.278 0.000 0.959 4435 R CB -0.403 30.022 30.300 0.210 0.000 0.856 4435 R HN 0.561 nan 8.270 nan 0.000 0.437 4436 N N -0.532 118.260 118.700 0.154 0.000 2.244 4436 N HA -0.157 4.585 4.740 0.002 0.000 0.183 4436 N C 1.543 177.207 175.510 0.256 0.000 1.016 4436 N CA 1.151 54.297 53.050 0.160 0.000 0.866 4436 N CB -0.194 38.349 38.487 0.092 0.000 0.980 4436 N HN 0.286 nan 8.380 nan 0.000 0.430 4437 H N 0.580 119.753 119.070 0.172 0.000 2.357 4437 H HA 0.111 4.669 4.556 0.002 0.000 0.301 4437 H C 2.171 177.657 175.328 0.263 0.000 1.082 4437 H CA 1.413 57.634 56.048 0.289 0.000 1.342 4437 H CB 0.139 30.067 29.762 0.277 0.000 1.389 4437 H HN 0.044 nan 8.280 nan 0.000 0.511 4438 R N 0.379 121.047 120.500 0.280 0.000 2.080 4438 R HA -0.135 4.207 4.340 0.002 0.000 0.236 4438 R C 1.130 177.490 176.300 0.099 0.000 1.137 4438 R CA 2.032 58.239 56.100 0.179 0.000 0.943 4438 R CB -0.182 30.237 30.300 0.198 0.000 0.846 4438 R HN 0.387 nan 8.270 nan 0.000 0.431 4439 D N 0.224 120.693 120.400 0.114 0.000 2.309 4439 D HA -0.093 4.549 4.640 0.002 0.000 0.212 4439 D C 1.230 177.569 176.300 0.066 0.000 0.968 4439 D CA 1.116 55.163 54.000 0.079 0.000 0.882 4439 D CB 0.034 40.886 40.800 0.088 0.000 0.918 4439 D HN 0.412 nan 8.370 nan 0.000 0.503 4440 A N -0.101 122.769 122.820 0.083 0.000 2.238 4440 A HA 0.410 4.731 4.320 0.002 0.000 0.208 4440 A C 1.699 179.256 177.584 -0.045 0.000 1.177 4440 A CA 0.785 52.837 52.037 0.026 0.000 0.804 4440 A CB -0.209 18.849 19.000 0.096 0.000 0.823 4440 A HN 0.208 nan 8.150 nan 0.000 0.482 4441 G N -1.985 106.801 108.800 -0.023 0.000 2.149 4441 G HA2 0.142 4.104 3.960 0.002 0.000 0.235 4441 G HA3 0.142 4.104 3.960 0.002 0.000 0.235 4441 G C 0.226 175.100 174.900 -0.043 0.000 1.018 4441 G CA 0.358 45.441 45.100 -0.028 0.000 0.728 4441 G HN 1.595 nan 8.290 nan 0.000 0.508 4442 A N -0.362 122.413 122.820 -0.074 0.000 2.330 4442 A HA 0.928 5.249 4.320 0.002 0.000 0.329 4442 A C -2.432 175.212 177.584 0.100 0.000 1.135 4442 A CA -1.739 50.270 52.037 -0.046 0.000 0.817 4442 A CB 1.362 20.200 19.000 -0.270 0.000 1.269 4442 A HN 0.086 nan 8.150 nan 0.000 0.469 4443 P HA 0.286 nan 4.420 nan 0.000 0.267 4443 P C -0.627 176.849 177.300 0.293 0.000 1.205 4443 P CA 0.636 63.845 63.100 0.182 0.000 0.765 4443 P CB 0.767 32.608 31.700 0.234 0.000 0.828 4444 T N 3.242 117.845 114.554 0.083 0.000 2.916 4444 T HA 0.531 4.882 4.350 0.002 0.000 0.298 4444 T C -1.111 173.455 174.700 -0.223 0.000 1.031 4444 T CA -0.267 61.906 62.100 0.120 0.000 0.993 4444 T CB 0.675 69.701 68.868 0.264 0.000 1.045 4444 T HN 0.113 nan 8.240 nan 0.000 0.454 4445 Y N 1.353 121.648 120.300 -0.009 0.000 2.512 4445 Y HA 0.747 5.298 4.550 0.002 0.000 0.348 4445 Y C 0.010 175.886 175.900 -0.039 0.000 0.990 4445 Y CA -1.132 56.925 58.100 -0.072 0.000 1.033 4445 Y CB 2.141 40.275 38.460 -0.544 0.000 1.259 4445 Y HN 0.370 nan 8.280 nan 0.000 0.461 4446 M N 2.685 122.529 119.600 0.406 0.000 2.593 4446 M HA 0.512 4.993 4.480 0.002 0.000 0.290 4446 M C -1.696 174.905 176.300 0.502 0.000 1.244 4446 M CA -0.961 54.453 55.300 0.190 0.000 0.857 4446 M CB 3.423 35.907 32.600 -0.194 0.000 1.738 4446 M HN 0.766 nan 8.290 nan 0.000 0.461 4447 Y N -1.534 118.886 120.300 0.200 0.000 2.638 4447 Y HA 0.736 5.288 4.550 0.003 0.000 0.335 4447 Y C -1.678 174.284 175.900 0.103 0.000 1.155 4447 Y CA -0.954 57.212 58.100 0.110 0.000 1.046 4447 Y CB 1.588 40.056 38.460 0.013 0.000 1.303 4447 Y HN 0.682 nan 8.280 nan 0.000 0.460 4448 E N 2.303 122.730 120.200 0.378 0.000 2.244 4448 E HA 0.315 4.666 4.350 0.002 0.000 0.260 4448 E C -2.219 174.639 176.600 0.431 0.000 0.884 4448 E CA -0.816 55.749 56.400 0.274 0.000 0.777 4448 E CB 1.373 31.169 29.700 0.161 0.000 1.197 4448 E HN 0.628 nan 8.360 nan 0.000 0.416 4449 F N 3.768 123.944 119.950 0.376 0.000 2.411 4449 F HA 0.245 4.773 4.527 0.002 0.000 0.350 4449 F C -0.302 175.618 175.800 0.199 0.000 1.114 4449 F CA -0.087 58.079 58.000 0.277 0.000 1.135 4449 F CB 1.043 40.225 39.000 0.303 0.000 1.120 4449 F HN 0.412 nan 8.300 nan 0.000 0.495 4450 Q N 7.065 126.604 119.800 -0.435 0.000 2.490 4450 Q HA 0.314 4.655 4.340 0.002 0.000 0.255 4450 Q C -2.283 173.530 176.000 -0.312 0.000 0.997 4450 Q CA -0.637 55.027 55.803 -0.231 0.000 0.709 4450 Q CB 1.088 29.785 28.738 -0.069 0.000 1.255 4450 Q HN 0.803 nan 8.270 nan 0.000 0.486 4451 Y N 1.154 121.207 120.300 -0.413 0.000 2.583 4451 Y HA 0.301 4.853 4.550 0.002 0.000 0.330 4451 Y C -2.062 173.838 175.900 -0.001 0.000 1.185 4451 Y CA -0.798 57.147 58.100 -0.258 0.000 1.107 4451 Y CB 1.335 39.541 38.460 -0.423 0.000 1.344 4451 Y HN 0.563 nan 8.280 nan 0.000 0.463 4452 R N 6.855 126.969 120.500 -0.644 0.000 2.275 4452 R HA 0.487 4.828 4.340 0.002 0.000 0.326 4452 R C -2.776 173.193 176.300 -0.553 0.000 0.973 4452 R CA -2.002 53.854 56.100 -0.406 0.000 0.854 4452 R CB 0.996 31.089 30.300 -0.345 0.000 1.156 4452 R HN 0.420 nan 8.270 nan 0.000 0.487 4453 P HA -0.015 nan 4.420 nan 0.000 0.271 4453 P C 0.197 177.262 177.300 -0.392 0.000 1.218 4453 P CA -0.018 63.005 63.100 -0.128 0.000 0.780 4453 P CB 1.420 33.138 31.700 0.030 0.000 0.901 4454 S N 1.006 116.346 115.700 -0.600 0.000 2.481 4454 S HA -0.086 4.385 4.470 0.002 0.000 0.231 4454 S C 1.295 175.463 174.600 -0.721 0.000 0.996 4454 S CA 0.524 58.325 58.200 -0.666 0.000 0.942 4454 S CB -1.152 61.605 63.200 -0.738 0.000 0.768 4454 S HN 0.399 nan 8.310 nan 0.000 0.520 4455 F N 2.515 122.203 119.950 -0.437 0.000 2.811 4455 F HA 0.306 4.834 4.527 0.002 0.000 0.301 4455 F C 1.304 176.799 175.800 -0.509 0.000 1.151 4455 F CA -0.428 57.243 58.000 -0.548 0.000 1.412 4455 F CB -0.552 37.877 39.000 -0.951 0.000 1.113 4455 F HN 0.017 nan 8.300 nan 0.000 0.579 4456 S N 0.196 115.705 115.700 -0.319 0.000 2.566 4456 S HA -0.009 4.462 4.470 0.002 0.000 0.280 4456 S C 0.574 175.090 174.600 -0.141 0.000 1.343 4456 S CA -0.532 57.549 58.200 -0.197 0.000 1.036 4456 S CB 0.732 63.792 63.200 -0.234 0.000 0.866 4456 S HN 0.287 nan 8.310 nan 0.000 0.526 4457 S N 0.666 116.308 115.700 -0.098 0.000 2.562 4457 S HA 0.009 4.480 4.470 0.002 0.000 0.281 4457 S C 0.901 175.400 174.600 -0.170 0.000 1.333 4457 S CA -0.595 57.569 58.200 -0.060 0.000 1.052 4457 S CB 0.197 63.447 63.200 0.084 0.000 0.884 4457 S HN 0.620 nan 8.310 nan 0.000 0.506 4458 D N 3.832 124.180 120.400 -0.087 0.000 2.221 4458 D HA -0.123 4.518 4.640 0.002 0.000 0.204 4458 D C 1.613 177.845 176.300 -0.112 0.000 0.982 4458 D CA 1.478 55.419 54.000 -0.098 0.000 0.857 4458 D CB -0.051 40.722 40.800 -0.045 0.000 0.934 4458 D HN 0.660 nan 8.370 nan 0.000 0.475 4459 M N 0.126 119.689 119.600 -0.062 0.000 2.492 4459 M HA -0.053 4.429 4.480 0.002 0.000 0.262 4459 M C 1.063 177.237 176.300 -0.210 0.000 1.090 4459 M CA 0.481 55.795 55.300 0.024 0.000 1.110 4459 M CB 0.131 32.913 32.600 0.304 0.000 1.407 4459 M HN -0.238 nan 8.290 nan 0.000 0.470 4460 K N 3.169 123.117 120.400 -0.753 0.000 2.312 4460 K HA 0.211 4.532 4.320 0.002 0.000 0.287 4460 K C -2.308 173.908 176.600 -0.640 0.000 1.062 4460 K CA -1.701 53.764 56.287 -1.371 0.000 0.934 4460 K CB 0.773 32.268 32.500 -1.674 0.000 1.027 4460 K HN -0.095 nan 8.250 nan 0.000 0.478 4461 P HA -0.000 nan 4.420 nan 0.000 0.270 4461 P C -0.518 176.648 177.300 -0.222 0.000 1.223 4461 P CA -0.027 62.934 63.100 -0.232 0.000 0.785 4461 P CB 0.696 32.327 31.700 -0.115 0.000 0.923 4462 K N 0.060 120.365 120.400 -0.160 0.000 2.362 4462 K HA -0.056 4.266 4.320 0.002 0.000 0.200 4462 K C 1.662 178.192 176.600 -0.117 0.000 1.046 4462 K CA 1.598 57.796 56.287 -0.149 0.000 0.952 4462 K CB -0.591 31.834 32.500 -0.124 0.000 0.753 4462 K HN 0.613 nan 8.250 nan 0.000 0.466 4463 T N -1.730 112.773 114.554 -0.085 0.000 3.118 4463 T HA 0.039 4.390 4.350 0.002 0.000 0.260 4463 T C 0.716 175.397 174.700 -0.031 0.000 1.139 4463 T CA -0.083 61.989 62.100 -0.046 0.000 1.085 4463 T CB -0.114 68.745 68.868 -0.014 0.000 0.934 4463 T HN -0.200 nan 8.240 nan 0.000 0.518 4464 V N 2.597 122.475 119.914 -0.059 0.000 2.368 4464 V HA 0.443 4.564 4.120 0.002 0.000 0.266 4464 V C -0.049 176.027 176.094 -0.031 0.000 1.045 4464 V CA -0.748 61.542 62.300 -0.018 0.000 0.899 4464 V CB 0.292 32.100 31.823 -0.026 0.000 1.006 4464 V HN 0.444 nan 8.190 nan 0.000 0.470 4465 I N 3.694 124.266 120.570 0.004 0.000 2.436 4465 I HA 0.629 4.800 4.170 0.002 0.000 0.289 4465 I C 0.938 177.093 176.117 0.064 0.000 1.010 4465 I CA -0.522 60.774 61.300 -0.008 0.000 1.098 4465 I CB 1.829 39.806 38.000 -0.038 0.000 1.266 4465 I HN 0.781 nan 8.210 nan 0.000 0.434 4466 G N 3.670 112.540 108.800 0.116 0.000 2.256 4466 G HA2 -0.234 3.727 3.960 0.002 0.000 0.272 4466 G HA3 -0.234 3.727 3.960 0.002 0.000 0.272 4466 G C -0.235 174.804 174.900 0.231 0.000 1.076 4466 G CA -0.013 45.224 45.100 0.228 0.000 0.882 4466 G HN 0.725 nan 8.290 nan 0.000 0.497 4467 D N -0.804 119.728 120.400 0.219 0.000 2.371 4467 D HA 0.350 4.992 4.640 0.002 0.000 0.242 4467 D C 0.937 177.390 176.300 0.255 0.000 1.218 4467 D CA -0.415 53.724 54.000 0.231 0.000 0.945 4467 D CB 0.343 41.297 40.800 0.257 0.000 1.137 4467 D HN 0.351 nan 8.370 nan 0.000 0.464 4468 H N -0.376 118.769 119.070 0.125 0.000 3.070 4468 H HA 0.306 4.863 4.556 0.003 0.000 0.313 4468 H C 1.336 176.779 175.328 0.191 0.000 0.997 4468 H CA 1.715 57.812 56.048 0.082 0.000 1.438 4468 H CB 0.083 29.869 29.762 0.039 0.000 1.455 4468 H HN 0.576 nan 8.280 nan 0.000 0.575 4469 G N 4.334 112.966 108.800 -0.280 0.000 2.225 4469 G HA2 -0.338 3.623 3.960 0.002 0.000 0.254 4469 G HA3 -0.338 3.623 3.960 0.002 0.000 0.254 4469 G C 1.257 175.995 174.900 -0.271 0.000 0.988 4469 G CA 0.476 45.319 45.100 -0.429 0.000 0.625 4469 G HN 0.645 nan 8.290 nan 0.000 0.527 4470 D N 1.060 121.481 120.400 0.035 0.000 2.221 4470 D HA -0.069 4.572 4.640 0.002 0.000 0.204 4470 D C 2.409 178.694 176.300 -0.025 0.000 0.982 4470 D CA 1.428 55.563 54.000 0.225 0.000 0.857 4470 D CB -0.068 40.981 40.800 0.415 0.000 0.934 4470 D HN 0.747 nan 8.370 nan 0.000 0.475 4471 E N 1.144 121.031 120.200 -0.521 0.000 2.358 4471 E HA -0.115 4.236 4.350 0.002 0.000 0.195 4471 E C 2.169 178.439 176.600 -0.549 0.000 1.010 4471 E CA 0.144 55.892 56.400 -1.088 0.000 0.856 4471 E CB -0.625 28.384 29.700 -1.151 0.000 0.795 4471 E HN 0.326 nan 8.360 nan 0.000 0.504 4472 L N -0.195 120.772 121.223 -0.425 0.000 2.079 4472 L HA -0.142 4.200 4.340 0.002 0.000 0.210 4472 L C 2.471 179.108 176.870 -0.389 0.000 1.081 4472 L CA 1.500 56.088 54.840 -0.419 0.000 0.752 4472 L CB -0.620 41.033 42.059 -0.677 0.000 0.896 4472 L HN 0.025 nan 8.230 nan 0.000 0.433 4473 F N -0.541 119.311 119.950 -0.163 0.000 2.234 4473 F HA -0.178 4.351 4.527 0.002 0.000 0.299 4473 F C 2.647 178.384 175.800 -0.105 0.000 1.087 4473 F CA 1.198 59.121 58.000 -0.127 0.000 1.340 4473 F CB -0.480 38.531 39.000 0.018 0.000 1.031 4473 F HN -0.018 nan 8.300 nan 0.000 0.500 4474 S N -0.256 115.447 115.700 0.005 0.000 2.377 4474 S HA -0.087 4.384 4.470 0.002 0.000 0.223 4474 S C 2.271 176.720 174.600 -0.253 0.000 1.030 4474 S CA 0.903 59.053 58.200 -0.084 0.000 0.970 4474 S CB -0.435 62.696 63.200 -0.115 0.000 0.830 4474 S HN 0.112 nan 8.310 nan 0.000 0.473 4475 V N 0.808 120.464 119.914 -0.430 0.000 2.343 4475 V HA -0.109 4.012 4.120 0.002 0.000 0.247 4475 V C 1.411 177.171 176.094 -0.557 0.000 1.051 4475 V CA 1.607 63.519 62.300 -0.647 0.000 1.036 4475 V CB -0.664 30.716 31.823 -0.739 0.000 0.654 4475 V HN 0.454 nan 8.190 nan 0.000 0.451 4476 F N 0.505 120.259 119.950 -0.328 0.000 2.664 4476 F HA 0.450 4.979 4.527 0.002 0.000 0.301 4476 F C 1.670 177.368 175.800 -0.170 0.000 1.126 4476 F CA 0.451 58.291 58.000 -0.268 0.000 1.373 4476 F CB -0.382 38.414 39.000 -0.341 0.000 1.042 4476 F HN 0.246 nan 8.300 nan 0.000 0.535 4477 G N 0.866 109.665 108.800 -0.001 0.000 2.323 4477 G HA2 -0.302 3.660 3.960 0.002 0.000 0.292 4477 G HA3 -0.302 3.660 3.960 0.002 0.000 0.292 4477 G C 1.292 176.272 174.900 0.134 0.000 1.040 4477 G CA 0.328 45.523 45.100 0.158 0.000 0.942 4477 G HN 0.583 nan 8.290 nan 0.000 0.506 4478 A N 0.093 122.887 122.820 -0.043 0.000 1.940 4478 A HA 0.083 4.404 4.320 0.002 0.000 0.219 4478 A C 0.675 178.073 177.584 -0.310 0.000 1.176 4478 A CA 2.156 54.025 52.037 -0.281 0.000 0.631 4478 A CB -0.765 17.903 19.000 -0.553 0.000 0.814 4478 A HN 0.485 nan 8.150 nan 0.000 0.446 4479 P HA -0.116 nan 4.420 nan 0.000 0.221 4479 P C 0.569 177.639 177.300 -0.384 0.000 1.145 4479 P CA 0.960 63.959 63.100 -0.168 0.000 0.795 4479 P CB -0.144 31.327 31.700 -0.382 0.000 0.775 4480 F N -2.586 117.382 119.950 0.030 0.000 2.749 4480 F HA 0.185 4.713 4.527 0.002 0.000 0.300 4480 F C 1.846 177.683 175.800 0.063 0.000 1.103 4480 F CA 0.396 58.438 58.000 0.070 0.000 1.342 4480 F CB -0.308 38.747 39.000 0.091 0.000 1.098 4480 F HN -0.180 nan 8.300 nan 0.000 0.586 4481 L N -1.312 119.988 121.223 0.129 0.000 2.547 4481 L HA 0.201 4.543 4.340 0.002 0.000 0.218 4481 L C 0.940 177.831 176.870 0.035 0.000 1.048 4481 L CA 0.308 55.196 54.840 0.079 0.000 0.859 4481 L CB 0.025 42.103 42.059 0.031 0.000 1.128 4481 L HN -0.173 nan 8.230 nan 0.000 0.483 4482 K N 0.682 121.075 120.400 -0.011 0.000 2.240 4482 K HA 0.301 4.622 4.320 0.002 0.000 0.237 4482 K C -0.339 176.344 176.600 0.138 0.000 1.027 4482 K CA -0.541 55.776 56.287 0.049 0.000 0.937 4482 K CB 1.087 33.585 32.500 -0.003 0.000 1.171 4482 K HN 0.044 nan 8.250 nan 0.000 0.479 4483 E N -1.402 118.897 120.200 0.165 0.000 2.299 4483 E HA 0.459 4.810 4.350 0.002 0.000 0.260 4483 E C 0.083 176.735 176.600 0.088 0.000 0.944 4483 E CA -1.080 55.386 56.400 0.110 0.000 0.815 4483 E CB 1.359 31.096 29.700 0.061 0.000 1.252 4483 E HN 0.648 nan 8.360 nan 0.000 0.418 4484 G N -0.431 108.375 108.800 0.010 0.000 2.143 4484 G HA2 -0.218 3.743 3.960 0.002 0.000 0.248 4484 G HA3 -0.218 3.743 3.960 0.002 0.000 0.248 4484 G C 0.115 174.931 174.900 -0.140 0.000 0.991 4484 G CA 0.002 45.063 45.100 -0.065 0.000 0.689 4484 G HN 0.840 nan 8.290 nan 0.000 0.522 4485 A N 0.494 123.257 122.820 -0.095 0.000 2.289 4485 A HA 0.781 5.102 4.320 0.002 0.000 0.298 4485 A C 0.927 178.450 177.584 -0.102 0.000 1.208 4485 A CA 0.748 52.700 52.037 -0.141 0.000 0.845 4485 A CB 0.506 19.497 19.000 -0.014 0.000 1.125 4485 A HN 1.946 nan 8.150 nan 0.000 0.517 4486 S N 1.591 117.229 115.700 -0.104 0.000 2.579 4486 S HA 0.070 4.542 4.470 0.002 0.000 0.275 4486 S C 0.907 175.477 174.600 -0.050 0.000 1.345 4486 S CA 0.391 58.553 58.200 -0.064 0.000 1.031 4486 S CB 0.817 63.987 63.200 -0.049 0.000 0.892 4486 S HN 0.822 nan 8.310 nan 0.000 0.529 4487 E N 0.687 120.865 120.200 -0.036 0.000 2.171 4487 E HA -0.267 4.084 4.350 0.002 0.000 0.197 4487 E C 1.874 178.458 176.600 -0.027 0.000 0.997 4487 E CA 1.551 57.935 56.400 -0.027 0.000 0.810 4487 E CB -0.122 29.570 29.700 -0.012 0.000 0.738 4487 E HN 0.901 nan 8.360 nan 0.000 0.467 4488 E N 0.439 120.626 120.200 -0.021 0.000 2.106 4488 E HA -0.242 4.109 4.350 0.002 0.000 0.192 4488 E C 1.962 178.526 176.600 -0.060 0.000 0.984 4488 E CA 1.101 57.486 56.400 -0.025 0.000 0.806 4488 E CB -0.024 29.679 29.700 0.005 0.000 0.750 4488 E HN 0.301 nan 8.360 nan 0.000 0.458 4489 E N 0.231 120.412 120.200 -0.031 0.000 2.150 4489 E HA -0.135 4.216 4.350 0.002 0.000 0.193 4489 E C 2.146 178.702 176.600 -0.072 0.000 0.985 4489 E CA 0.798 57.174 56.400 -0.041 0.000 0.814 4489 E CB 0.011 29.741 29.700 0.050 0.000 0.752 4489 E HN 0.363 nan 8.360 nan 0.000 0.466 4490 I N 0.410 120.923 120.570 -0.094 0.000 2.252 4490 I HA -0.247 3.924 4.170 0.002 0.000 0.245 4490 I C 2.565 178.668 176.117 -0.024 0.000 1.102 4490 I CA 0.922 62.131 61.300 -0.152 0.000 1.385 4490 I CB -0.203 37.700 38.000 -0.161 0.000 1.064 4490 I HN 0.056 nan 8.210 nan 0.000 0.414 4491 R N 0.197 120.686 120.500 -0.019 0.000 2.092 4491 R HA -0.154 4.187 4.340 0.002 0.000 0.231 4491 R C 2.288 178.572 176.300 -0.027 0.000 1.119 4491 R CA 1.105 57.205 56.100 0.000 0.000 0.970 4491 R CB -0.418 29.872 30.300 -0.015 0.000 0.864 4491 R HN 0.233 nan 8.270 nan 0.000 0.440 4492 L N 0.553 121.728 121.223 -0.080 0.000 2.046 4492 L HA -0.155 4.186 4.340 0.002 0.000 0.208 4492 L C 2.341 179.182 176.870 -0.049 0.000 1.077 4492 L CA 1.864 56.638 54.840 -0.110 0.000 0.747 4492 L CB -0.684 41.211 42.059 -0.274 0.000 0.896 4492 L HN 0.004 nan 8.230 nan 0.000 0.432 4493 S N -0.927 114.761 115.700 -0.019 0.000 2.356 4493 S HA -0.211 4.260 4.470 0.002 0.000 0.223 4493 S C 2.086 176.701 174.600 0.025 0.000 1.032 4493 S CA 1.457 59.666 58.200 0.016 0.000 1.005 4493 S CB -0.214 63.038 63.200 0.086 0.000 0.867 4493 S HN 0.518 nan 8.310 nan 0.000 0.449 4494 K N 0.421 120.875 120.400 0.089 0.000 2.063 4494 K HA -0.126 4.196 4.320 0.002 0.000 0.208 4494 K C 2.326 178.902 176.600 -0.041 0.000 1.048 4494 K CA 1.743 58.055 56.287 0.043 0.000 0.928 4494 K CB -0.304 32.262 32.500 0.109 0.000 0.713 4494 K HN 0.472 nan 8.250 nan 0.000 0.442 4495 M N 0.794 120.356 119.600 -0.064 0.000 2.067 4495 M HA -0.177 4.305 4.480 0.002 0.000 0.260 4495 M C 2.012 178.233 176.300 -0.132 0.000 1.069 4495 M CA 1.560 56.760 55.300 -0.166 0.000 1.117 4495 M CB 0.013 32.538 32.600 -0.124 0.000 1.334 4495 M HN -0.059 nan 8.290 nan 0.000 0.407 4496 V N 1.067 120.973 119.914 -0.014 0.000 2.332 4496 V HA -0.332 3.790 4.120 0.002 0.000 0.248 4496 V C 2.453 178.525 176.094 -0.037 0.000 1.055 4496 V CA 2.080 64.381 62.300 0.003 0.000 1.038 4496 V CB -0.673 30.956 31.823 -0.323 0.000 0.651 4496 V HN 0.573 nan 8.190 nan 0.000 0.450 4497 M N -1.095 118.430 119.600 -0.125 0.000 2.117 4497 M HA -0.176 4.306 4.480 0.002 0.000 0.262 4497 M C 2.381 178.712 176.300 0.052 0.000 1.065 4497 M CA 1.662 56.905 55.300 -0.095 0.000 1.114 4497 M CB -0.540 31.977 32.600 -0.139 0.000 1.361 4497 M HN 0.199 nan 8.290 nan 0.000 0.408 4498 K N 0.401 120.811 120.400 0.015 0.000 1.991 4498 K HA -0.123 4.199 4.320 0.002 0.000 0.212 4498 K C 1.846 178.540 176.600 0.157 0.000 1.049 4498 K CA 1.769 58.062 56.287 0.011 0.000 0.932 4498 K CB -0.624 31.792 32.500 -0.139 0.000 0.717 4498 K HN 0.317 nan 8.250 nan 0.000 0.441 4499 F N -0.321 119.779 119.950 0.249 0.000 2.065 4499 F HA -0.287 4.241 4.527 0.003 0.000 0.298 4499 F C 2.590 178.583 175.800 0.322 0.000 1.112 4499 F CA 0.862 59.065 58.000 0.338 0.000 1.212 4499 F CB -0.302 39.061 39.000 0.604 0.000 0.975 4499 F HN 0.274 nan 8.300 nan 0.000 0.476 4500 W N -0.027 121.382 121.300 0.182 0.000 2.358 4500 W HA -0.223 4.438 4.660 0.002 0.000 0.303 4500 W C 2.603 179.135 176.519 0.022 0.000 1.208 4500 W CA 0.944 58.311 57.345 0.037 0.000 1.274 4500 W CB -0.566 28.843 29.460 -0.085 0.000 1.138 4500 W HN 0.004 nan 8.180 nan 0.000 0.515 4501 A N 0.467 123.424 122.820 0.229 0.000 1.930 4501 A HA -0.191 4.131 4.320 0.002 0.000 0.217 4501 A C 1.667 179.299 177.584 0.080 0.000 1.175 4501 A CA 1.613 53.708 52.037 0.096 0.000 0.627 4501 A CB -0.921 18.113 19.000 0.058 0.000 0.815 4501 A HN 0.211 nan 8.150 nan 0.000 0.443 4502 N N -1.022 117.749 118.700 0.118 0.000 2.244 4502 N HA -0.099 4.642 4.740 0.002 0.000 0.183 4502 N C 1.291 176.826 175.510 0.041 0.000 1.016 4502 N CA 1.141 54.238 53.050 0.079 0.000 0.866 4502 N CB -0.529 38.028 38.487 0.117 0.000 0.980 4502 N HN 0.537 nan 8.380 nan 0.000 0.430 4503 F N 1.613 121.500 119.950 -0.106 0.000 2.163 4503 F HA 0.034 4.562 4.527 0.002 0.000 0.297 4503 F C 2.146 177.866 175.800 -0.135 0.000 1.094 4503 F CA 1.031 58.904 58.000 -0.212 0.000 1.290 4503 F CB -0.413 38.373 39.000 -0.358 0.000 1.017 4503 F HN 0.016 nan 8.300 nan 0.000 0.483 4504 A N 0.481 123.254 122.820 -0.079 0.000 1.972 4504 A HA -0.158 4.163 4.320 0.002 0.000 0.219 4504 A C 2.344 179.845 177.584 -0.138 0.000 1.169 4504 A CA 1.629 53.590 52.037 -0.126 0.000 0.635 4504 A CB -0.594 18.378 19.000 -0.047 0.000 0.810 4504 A HN 0.454 nan 8.150 nan 0.000 0.446 4505 R N -0.739 119.699 120.500 -0.102 0.000 2.062 4505 R HA 0.012 4.353 4.340 0.002 0.000 0.226 4505 R C 0.675 176.903 176.300 -0.118 0.000 1.125 4505 R CA 1.359 57.408 56.100 -0.084 0.000 0.966 4505 R CB -0.109 30.168 30.300 -0.040 0.000 0.861 4505 R HN 0.517 nan 8.270 nan 0.000 0.433 4506 N N -1.198 117.415 118.700 -0.146 0.000 2.171 4506 N HA 0.091 4.832 4.740 0.002 0.000 0.212 4506 N C 0.573 175.956 175.510 -0.213 0.000 1.184 4506 N CA 0.769 53.735 53.050 -0.140 0.000 0.888 4506 N CB 1.757 40.201 38.487 -0.071 0.000 1.038 4506 N HN 0.323 nan 8.380 nan 0.000 0.517 4507 G N 1.643 110.179 108.800 -0.440 0.000 2.160 4507 G HA2 -0.276 3.686 3.960 0.002 0.000 0.251 4507 G HA3 -0.276 3.686 3.960 0.002 0.000 0.251 4507 G C -0.165 174.561 174.900 -0.290 0.000 1.008 4507 G CA 0.305 45.027 45.100 -0.630 0.000 0.724 4507 G HN 0.483 nan 8.290 nan 0.000 0.514 4508 N N -0.535 118.035 118.700 -0.216 0.000 2.478 4508 N HA 0.363 5.104 4.740 0.002 0.000 0.291 4508 N C -1.493 173.906 175.510 -0.186 0.000 1.090 4508 N CA -1.312 51.628 53.050 -0.183 0.000 0.911 4508 N CB 2.264 40.743 38.487 -0.014 0.000 1.546 4508 N HN -0.047 nan 8.380 nan 0.000 0.500 4509 P HA -0.068 nan 4.420 nan 0.000 0.221 4509 P C -0.173 177.236 177.300 0.182 0.000 1.150 4509 P CA 0.548 63.547 63.100 -0.168 0.000 0.800 4509 P CB 0.305 31.563 31.700 -0.737 0.000 0.787 4510 N N 0.869 119.629 118.700 0.100 0.000 2.407 4510 N HA 0.206 4.947 4.740 0.002 0.000 0.250 4510 N C 0.886 176.519 175.510 0.204 0.000 1.236 4510 N CA 1.199 54.404 53.050 0.260 0.000 0.879 4510 N CB 0.430 39.050 38.487 0.222 0.000 1.088 4510 N HN 0.178 nan 8.380 nan 0.000 0.450 4511 G N 0.002 108.927 108.800 0.207 0.000 2.608 4511 G HA2 0.184 4.146 3.960 0.002 0.000 0.291 4511 G HA3 0.184 4.146 3.960 0.002 0.000 0.291 4511 G C -1.419 173.543 174.900 0.102 0.000 1.425 4511 G CA -0.635 44.537 45.100 0.120 0.000 0.787 4511 G HN 0.500 nan 8.290 nan 0.000 0.484 4512 E N -0.472 119.768 120.200 0.068 0.000 2.344 4512 E HA 0.431 4.783 4.350 0.002 0.000 0.270 4512 E C 1.208 177.828 176.600 0.034 0.000 1.021 4512 E CA 0.939 57.373 56.400 0.056 0.000 0.887 4512 E CB 0.317 30.043 29.700 0.043 0.000 0.997 4512 E HN 1.749 nan 8.360 nan 0.000 0.429 4513 G N 3.802 112.626 108.800 0.040 0.000 2.175 4513 G HA2 -0.238 3.723 3.960 0.002 0.000 0.244 4513 G HA3 -0.238 3.723 3.960 0.002 0.000 0.244 4513 G C -0.111 174.789 174.900 -0.000 0.000 0.982 4513 G CA 0.187 45.298 45.100 0.019 0.000 0.641 4513 G HN 0.454 nan 8.290 nan 0.000 0.527 4514 L N 0.559 121.795 121.223 0.021 0.000 2.342 4514 L HA 0.550 4.891 4.340 0.002 0.000 0.271 4514 L C -1.897 175.091 176.870 0.195 0.000 1.008 4514 L CA -2.401 52.437 54.840 -0.004 0.000 0.818 4514 L CB 1.709 43.653 42.059 -0.193 0.000 1.296 4514 L HN -0.145 nan 8.230 nan 0.000 0.427 4515 P HA -0.035 nan 4.420 nan 0.000 0.267 4515 P C -0.866 176.683 177.300 0.415 0.000 1.201 4515 P CA -0.080 63.200 63.100 0.300 0.000 0.775 4515 P CB 0.253 32.114 31.700 0.267 0.000 0.854 4516 H N 1.875 121.090 119.070 0.241 0.000 2.848 4516 H HA 0.147 4.704 4.556 0.002 0.000 0.317 4516 H C -1.003 174.506 175.328 0.302 0.000 1.046 4516 H CA 0.056 56.262 56.048 0.264 0.000 1.470 4516 H CB 0.160 30.031 29.762 0.181 0.000 1.483 4516 H HN 0.357 nan 8.280 nan 0.000 0.548 4517 W N 10.123 131.175 121.300 -0.412 0.000 2.299 4517 W HA 0.310 4.972 4.660 0.002 0.000 0.319 4517 W C -2.803 173.510 176.519 -0.343 0.000 1.008 4517 W CA -3.255 53.905 57.345 -0.309 0.000 1.384 4517 W CB 0.694 29.967 29.460 -0.311 0.000 1.220 4517 W HN 0.573 nan 8.180 nan 0.000 0.402 4518 P HA 0.009 nan 4.420 nan 0.000 0.271 4518 P C -0.185 177.270 177.300 0.258 0.000 1.218 4518 P CA 0.249 63.451 63.100 0.169 0.000 0.780 4518 P CB 1.321 33.147 31.700 0.210 0.000 0.901 4519 E N 2.039 122.264 120.200 0.042 0.000 2.398 4519 E HA -0.055 4.297 4.350 0.002 0.000 0.263 4519 E C -0.837 175.689 176.600 -0.123 0.000 1.046 4519 E CA -0.476 55.688 56.400 -0.393 0.000 0.908 4519 E CB 0.186 29.664 29.700 -0.371 0.000 0.963 4519 E HN 0.371 nan 8.360 nan 0.000 0.431 4520 Y N 5.974 126.114 120.300 -0.266 0.000 2.530 4520 Y HA 0.041 4.592 4.550 0.002 0.000 0.340 4520 Y C -0.207 175.665 175.900 -0.046 0.000 1.247 4520 Y CA -0.244 57.823 58.100 -0.056 0.000 1.727 4520 Y CB -0.742 37.708 38.460 -0.017 0.000 1.613 4520 Y HN 0.501 nan 8.280 nan 0.000 0.464 4521 N N 0.370 118.924 118.700 -0.244 0.000 2.849 4521 N HA 0.083 4.825 4.740 0.002 0.000 0.307 4521 N C 0.769 176.112 175.510 -0.278 0.000 1.370 4521 N CA -0.195 52.737 53.050 -0.196 0.000 0.790 4521 N CB 0.094 38.524 38.487 -0.094 0.000 1.117 4521 N HN 0.215 nan 8.380 nan 0.000 0.495 4522 Q N -0.283 119.426 119.800 -0.151 0.000 2.291 4522 Q HA 0.035 4.376 4.340 0.002 0.000 0.205 4522 Q C 1.039 176.965 176.000 -0.123 0.000 0.970 4522 Q CA 1.174 56.902 55.803 -0.125 0.000 0.876 4522 Q CB -0.287 28.415 28.738 -0.060 0.000 0.935 4522 Q HN 0.614 nan 8.270 nan 0.000 0.455 4523 K N 0.641 120.975 120.400 -0.110 0.000 2.418 4523 K HA -0.013 4.309 4.320 0.002 0.000 0.195 4523 K C -0.072 176.478 176.600 -0.084 0.000 1.035 4523 K CA -0.012 56.238 56.287 -0.062 0.000 1.003 4523 K CB 0.267 32.756 32.500 -0.018 0.000 0.793 4523 K HN 0.188 nan 8.250 nan 0.000 0.494 4524 E N 0.183 120.229 120.200 -0.258 0.000 2.297 4524 E HA -0.165 4.186 4.350 0.002 0.000 0.228 4524 E C 0.067 176.729 176.600 0.104 0.000 1.213 4524 E CA 0.126 56.286 56.400 -0.400 0.000 0.712 4524 E CB -1.660 27.922 29.700 -0.197 0.000 1.202 4524 E HN 0.510 nan 8.360 nan 0.000 0.376 4525 G N 0.535 109.405 108.800 0.115 0.000 2.503 4525 G HA2 0.432 4.393 3.960 0.002 0.000 0.257 4525 G HA3 0.432 4.393 3.960 0.002 0.000 0.257 4525 G C -0.343 174.821 174.900 0.440 0.000 1.214 4525 G CA 0.042 45.270 45.100 0.212 0.000 0.839 4525 G HN 0.312 nan 8.290 nan 0.000 0.559 4526 Y N -0.744 119.686 120.300 0.216 0.000 2.638 4526 Y HA 0.664 5.215 4.550 0.003 0.000 0.335 4526 Y C -1.516 174.361 175.900 -0.039 0.000 1.155 4526 Y CA -1.814 56.406 58.100 0.199 0.000 1.046 4526 Y CB 1.517 40.079 38.460 0.171 0.000 1.303 4526 Y HN 0.564 nan 8.280 nan 0.000 0.460 4527 L N 2.837 123.918 121.223 -0.237 0.000 2.282 4527 L HA 0.473 4.814 4.340 0.002 0.000 0.288 4527 L C -0.810 175.937 176.870 -0.205 0.000 1.033 4527 L CA -0.364 54.130 54.840 -0.577 0.000 0.807 4527 L CB 1.542 42.696 42.059 -1.508 0.000 1.209 4527 L HN 0.753 nan 8.230 nan 0.000 0.423 4528 Q N 6.348 126.052 119.800 -0.160 0.000 2.349 4528 Q HA 0.426 4.767 4.340 0.002 0.000 0.254 4528 Q C -0.920 175.047 176.000 -0.054 0.000 0.980 4528 Q CA -0.064 55.748 55.803 0.014 0.000 0.924 4528 Q CB 1.256 29.998 28.738 0.007 0.000 1.209 4528 Q HN 0.599 nan 8.270 nan 0.000 0.445 4529 I N 1.933 122.493 120.570 -0.016 0.000 2.353 4529 I HA 0.655 4.827 4.170 0.002 0.000 0.293 4529 I C 0.682 176.676 176.117 -0.206 0.000 0.992 4529 I CA -0.239 61.030 61.300 -0.052 0.000 1.268 4529 I CB 1.413 39.455 38.000 0.069 0.000 1.387 4529 I HN 0.757 nan 8.210 nan 0.000 0.478 4530 G N 3.143 111.822 108.800 -0.202 0.000 2.364 4530 G HA2 0.377 4.338 3.960 0.002 0.000 0.286 4530 G HA3 0.377 4.338 3.960 0.002 0.000 0.286 4530 G C 0.279 175.061 174.900 -0.196 0.000 1.241 4530 G CA 0.065 44.998 45.100 -0.279 0.000 0.887 4530 G HN 0.555 nan 8.290 nan 0.000 0.484 4531 A N -0.555 122.209 122.820 -0.094 0.000 1.917 4531 A HA 0.068 4.389 4.320 0.002 0.000 0.219 4531 A C 0.951 178.509 177.584 -0.043 0.000 1.182 4531 A CA 1.653 53.660 52.037 -0.051 0.000 0.633 4531 A CB -0.459 18.586 19.000 0.074 0.000 0.819 4531 A HN 0.473 nan 8.150 nan 0.000 0.448 4532 N N 0.279 118.961 118.700 -0.030 0.000 2.443 4532 N HA 0.342 5.083 4.740 0.002 0.000 0.269 4532 N C -1.424 174.070 175.510 -0.027 0.000 0.985 4532 N CA 0.033 53.072 53.050 -0.019 0.000 0.921 4532 N CB 1.541 40.023 38.487 -0.008 0.000 1.195 4532 N HN 0.068 nan 8.380 nan 0.000 0.492 4533 T N 3.204 117.749 114.554 -0.014 0.000 2.758 4533 T HA 0.437 4.789 4.350 0.002 0.000 0.285 4533 T C -0.171 174.527 174.700 -0.004 0.000 0.981 4533 T CA -0.668 61.425 62.100 -0.011 0.000 0.965 4533 T CB 1.055 69.945 68.868 0.036 0.000 0.927 4533 T HN 0.443 nan 8.240 nan 0.000 0.448 4534 Q N 1.598 121.370 119.800 -0.045 0.000 2.578 4534 Q HA 0.653 4.994 4.340 0.002 0.000 0.284 4534 Q C -1.516 174.410 176.000 -0.125 0.000 0.960 4534 Q CA -1.126 54.650 55.803 -0.045 0.000 0.809 4534 Q CB 1.416 30.140 28.738 -0.024 0.000 1.462 4534 Q HN 0.609 nan 8.270 nan 0.000 0.392 4535 A N 0.746 123.502 122.820 -0.107 0.000 2.332 4535 A HA 0.855 5.177 4.320 0.002 0.000 0.258 4535 A C -0.244 177.189 177.584 -0.251 0.000 1.087 4535 A CA 0.537 52.460 52.037 -0.190 0.000 0.802 4535 A CB 0.346 19.316 19.000 -0.051 0.000 1.042 4535 A HN 1.220 nan 8.150 nan 0.000 0.489 4536 A N 0.401 122.940 122.820 -0.467 0.000 2.535 4536 A HA 0.779 5.101 4.320 0.002 0.000 0.296 4536 A C -0.840 176.527 177.584 -0.362 0.000 1.248 4536 A CA -0.567 51.205 52.037 -0.442 0.000 0.686 4536 A CB 0.945 19.594 19.000 -0.585 0.000 1.315 4536 A HN 0.838 nan 8.150 nan 0.000 0.460 4537 Q N -0.424 119.326 119.800 -0.084 0.000 2.456 4537 Q HA 0.549 4.891 4.340 0.002 0.000 0.284 4537 Q C -1.462 174.739 176.000 0.336 0.000 1.061 4537 Q CA -0.992 54.904 55.803 0.157 0.000 0.799 4537 Q CB 2.111 30.899 28.738 0.082 0.000 1.445 4537 Q HN 0.630 nan 8.270 nan 0.000 0.411 4538 K N 0.884 121.480 120.400 0.326 0.000 3.244 4538 K HA -0.202 4.119 4.320 0.002 0.000 0.270 4538 K C -0.681 176.065 176.600 0.243 0.000 1.016 4538 K CA 0.004 56.441 56.287 0.250 0.000 0.754 4538 K CB -1.349 31.246 32.500 0.158 0.000 1.326 4538 K HN 0.459 nan 8.250 nan 0.000 0.465 4539 L N 1.907 123.241 121.223 0.186 0.000 2.534 4539 L HA -0.009 4.333 4.340 0.002 0.000 0.271 4539 L C 0.558 177.398 176.870 -0.050 0.000 1.178 4539 L CA 0.829 55.550 54.840 -0.199 0.000 0.907 4539 L CB 0.184 41.741 42.059 -0.837 0.000 1.164 4539 L HN 0.293 nan 8.230 nan 0.000 0.482 4540 K N 2.946 123.344 120.400 -0.003 0.000 3.069 4540 K HA -0.280 4.042 4.320 0.002 0.000 0.267 4540 K C 0.878 177.540 176.600 0.102 0.000 1.082 4540 K CA 1.122 57.445 56.287 0.060 0.000 0.782 4540 K CB -1.559 30.966 32.500 0.043 0.000 1.230 4540 K HN 0.929 nan 8.250 nan 0.000 0.488 4541 D N 1.155 121.617 120.400 0.103 0.000 2.092 4541 D HA -0.122 4.519 4.640 0.002 0.000 0.193 4541 D C 1.599 177.967 176.300 0.113 0.000 0.994 4541 D CA 1.788 55.855 54.000 0.111 0.000 0.828 4541 D CB 0.246 41.108 40.800 0.103 0.000 0.963 4541 D HN 0.503 nan 8.370 nan 0.000 0.450 4542 K N -0.159 120.299 120.400 0.097 0.000 2.025 4542 K HA -0.123 4.198 4.320 0.002 0.000 0.207 4542 K C 2.214 178.901 176.600 0.145 0.000 1.049 4542 K CA 1.198 57.537 56.287 0.087 0.000 0.933 4542 K CB -0.086 32.431 32.500 0.029 0.000 0.714 4542 K HN 0.099 nan 8.250 nan 0.000 0.438 4543 E N 0.782 121.093 120.200 0.186 0.000 2.058 4543 E HA -0.167 4.184 4.350 0.002 0.000 0.194 4543 E C 2.025 178.904 176.600 0.465 0.000 0.997 4543 E CA 1.129 57.747 56.400 0.364 0.000 0.801 4543 E CB -0.397 29.549 29.700 0.411 0.000 0.746 4543 E HN 0.009 nan 8.360 nan 0.000 0.450 4544 V N 0.984 121.086 119.914 0.313 0.000 2.287 4544 V HA -0.300 3.821 4.120 0.002 0.000 0.248 4544 V C 2.222 178.462 176.094 0.243 0.000 1.053 4544 V CA 1.896 64.363 62.300 0.278 0.000 1.027 4544 V CB -0.933 30.998 31.823 0.179 0.000 0.646 4544 V HN 0.378 nan 8.190 nan 0.000 0.447 4545 A N -0.430 122.502 122.820 0.186 0.000 1.877 4545 A HA -0.238 4.084 4.320 0.002 0.000 0.216 4545 A C 2.116 179.767 177.584 0.112 0.000 1.186 4545 A CA 2.055 54.171 52.037 0.132 0.000 0.620 4545 A CB -0.723 18.340 19.000 0.105 0.000 0.822 4545 A HN 0.517 nan 8.150 nan 0.000 0.443 4546 F N -0.746 119.194 119.950 -0.017 0.000 2.069 4546 F HA -0.193 4.336 4.527 0.003 0.000 0.298 4546 F C 1.995 177.662 175.800 -0.221 0.000 1.113 4546 F CA 1.838 59.734 58.000 -0.173 0.000 1.214 4546 F CB -0.653 38.158 39.000 -0.314 0.000 0.978 4546 F HN 0.382 nan 8.300 nan 0.000 0.474 4547 W N 0.423 121.692 121.300 -0.053 0.000 2.402 4547 W HA -0.126 4.535 4.660 0.001 0.000 0.286 4547 W C 2.545 179.038 176.519 -0.042 0.000 1.221 4547 W CA 1.613 58.857 57.345 -0.169 0.000 1.257 4547 W CB -0.985 28.572 29.460 0.161 0.000 1.120 4547 W HN -0.093 nan 8.180 nan 0.000 0.551 4548 T N 0.108 114.794 114.554 0.220 0.000 2.737 4548 T HA -0.170 4.181 4.350 0.002 0.000 0.265 4548 T C 1.515 176.254 174.700 0.065 0.000 1.038 4548 T CA 1.435 63.649 62.100 0.190 0.000 1.144 4548 T CB -0.445 68.506 68.868 0.139 0.000 0.866 4548 T HN 0.098 nan 8.240 nan 0.000 0.434 4549 N N 1.144 119.810 118.700 -0.057 0.000 2.309 4549 N HA 0.009 4.750 4.740 0.002 0.000 0.182 4549 N C 1.730 177.119 175.510 -0.202 0.000 1.018 4549 N CA 0.505 53.491 53.050 -0.107 0.000 0.876 4549 N CB -0.334 38.082 38.487 -0.119 0.000 0.972 4549 N HN 0.225 nan 8.380 nan 0.000 0.434 4550 L N 0.060 121.040 121.223 -0.405 0.000 2.023 4550 L HA 0.092 4.433 4.340 0.002 0.000 0.205 4550 L C 1.765 178.476 176.870 -0.265 0.000 1.073 4550 L CA 1.367 55.896 54.840 -0.519 0.000 0.745 4550 L CB -0.809 40.635 42.059 -1.025 0.000 0.900 4550 L HN -0.047 nan 8.230 nan 0.000 0.435 4551 F N -0.059 119.868 119.950 -0.039 0.000 2.333 4551 F HA -0.116 4.412 4.527 0.001 0.000 0.300 4551 F C 2.270 178.071 175.800 0.002 0.000 1.083 4551 F CA 0.609 58.624 58.000 0.025 0.000 1.395 4551 F CB -0.532 38.505 39.000 0.061 0.000 1.056 4551 F HN 0.219 nan 8.300 nan 0.000 0.529 4552 A N -0.089 122.810 122.820 0.132 0.000 2.255 4552 A HA 0.009 4.330 4.320 0.002 0.000 0.206 4552 A C 0.866 178.475 177.584 0.041 0.000 1.193 4552 A CA 0.454 52.536 52.037 0.075 0.000 0.794 4552 A CB -0.575 18.449 19.000 0.040 0.000 0.794 4552 A HN 0.253 nan 8.150 nan 0.000 0.481 4553 K N 0.000 120.422 120.400 0.036 0.000 2.780 4553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 4553 K CA 0.000 56.297 56.287 0.017 0.000 0.838 4553 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 4553 K HN 0.000 nan 8.250 nan 0.000 0.543