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 2ved_1_B DATA FIRST_RESID 197 DATA SEQUENCE DKRIKDEEDV EKELGLPVLG SIQKFNXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXMTNTRR STSSLIVHEQ PKSPISEKFR GIRSNIMFAN PDSAVQSIVI DATA SEQUENCE TSEAPGAGMS TIAANLAVAY AQAGYKTLIV DGDMRKPTQH YIFNLPNNEG DATA SEQUENCE LSSLLLNWST YQDSIISTEI EDLDVLTSGP IPPNPSELIT SRAFANLYDT DATA SEQUENCE LLMNYNFVII DTPPVNTVTD AQLFSKFTGN VVYVVNSENN NKDEVKKGKE DATA SEQUENCE LIEATGAKLL GVVLNRMPKD KSASYYAYYG TD 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 197 D HA 0.000 nan 4.640 nan 0.000 0.175 197 D C 0.000 176.296 176.300 -0.006 0.000 2.045 197 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 197 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 198 K N 2.438 122.836 120.400 -0.005 0.000 2.257 198 K HA 0.289 4.609 4.320 -0.000 0.000 0.270 198 K C 0.357 176.954 176.600 -0.004 0.000 1.098 198 K CA -0.244 56.041 56.287 -0.004 0.000 0.943 198 K CB 0.797 33.296 32.500 -0.002 0.000 1.316 198 K HN 0.465 nan 8.250 nan 0.000 0.447 199 R N 1.875 122.371 120.500 -0.007 0.000 3.018 199 R HA 0.625 4.965 4.340 -0.000 0.000 0.243 199 R C -0.575 175.719 176.300 -0.011 0.000 1.315 199 R CA -0.834 55.260 56.100 -0.010 0.000 1.039 199 R CB 0.914 31.205 30.300 -0.015 0.000 1.315 199 R HN 0.196 nan 8.270 nan 0.000 0.492 200 I N 0.462 121.023 120.570 -0.016 0.000 2.436 200 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 200 I C 0.022 176.121 176.117 -0.029 0.000 1.010 200 I CA -0.490 60.800 61.300 -0.018 0.000 1.098 200 I CB 1.891 39.882 38.000 -0.014 0.000 1.266 200 I HN 0.990 nan 8.210 nan 0.000 0.434 201 K N 3.886 124.269 120.400 -0.029 0.000 2.665 201 K HA 0.001 4.321 4.320 -0.000 0.000 0.247 201 K C -1.705 174.882 176.600 -0.022 0.000 2.873 201 K CA 0.772 57.045 56.287 -0.024 0.000 1.462 201 K CB -0.105 32.385 32.500 -0.018 0.000 3.100 201 K HN 0.889 nan 8.250 nan 0.000 0.307 202 D N -1.077 119.311 120.400 -0.021 0.000 2.692 202 D HA 0.214 4.854 4.640 -0.000 0.000 0.290 202 D C 0.005 176.288 176.300 -0.028 0.000 1.281 202 D CA -0.543 53.443 54.000 -0.024 0.000 0.804 202 D CB 0.396 41.183 40.800 -0.021 0.000 1.331 202 D HN 0.142 nan 8.370 nan 0.000 0.432 203 E N -0.402 119.772 120.200 -0.044 0.000 2.160 203 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 203 E C 1.209 177.792 176.600 -0.029 0.000 0.991 203 E CA 0.995 57.368 56.400 -0.046 0.000 0.810 203 E CB 0.177 29.828 29.700 -0.082 0.000 0.742 203 E HN 0.562 nan 8.360 nan 0.000 0.466 204 E N 0.820 121.003 120.200 -0.028 0.000 2.072 204 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 204 E C 1.410 178.004 176.600 -0.009 0.000 0.985 204 E CA 0.971 57.360 56.400 -0.018 0.000 0.801 204 E CB 0.170 29.859 29.700 -0.018 0.000 0.750 204 E HN 0.139 nan 8.360 nan 0.000 0.452 205 D N 0.204 120.598 120.400 -0.009 0.000 2.104 205 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 205 D C 2.084 178.386 176.300 0.004 0.000 0.994 205 D CA 1.134 55.132 54.000 -0.003 0.000 0.830 205 D CB -0.384 40.412 40.800 -0.006 0.000 0.959 205 D HN 0.066 nan 8.370 nan 0.000 0.452 206 V N 0.940 120.857 119.914 0.004 0.000 2.282 206 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 206 V C 2.437 178.544 176.094 0.022 0.000 1.057 206 V CA 1.909 64.220 62.300 0.018 0.000 1.032 206 V CB -0.518 31.315 31.823 0.017 0.000 0.645 206 V HN 0.120 nan 8.190 nan 0.000 0.447 207 E N 0.623 120.830 120.200 0.012 0.000 2.038 207 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 207 E C 2.268 178.876 176.600 0.013 0.000 1.000 207 E CA 1.800 58.207 56.400 0.012 0.000 0.803 207 E CB -0.370 29.331 29.700 0.003 0.000 0.750 207 E HN 0.500 nan 8.360 nan 0.000 0.448 208 K N -0.281 120.124 120.400 0.009 0.000 2.057 208 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 208 K C 1.690 178.298 176.600 0.014 0.000 1.050 208 K CA 1.335 57.627 56.287 0.009 0.000 0.935 208 K CB 0.088 32.591 32.500 0.005 0.000 0.715 208 K HN 0.025 nan 8.250 nan 0.000 0.439 209 E N 0.141 120.352 120.200 0.019 0.000 2.250 209 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 209 E C 1.783 178.404 176.600 0.034 0.000 0.986 209 E CA 0.592 57.007 56.400 0.024 0.000 0.849 209 E CB 0.374 30.090 29.700 0.025 0.000 0.797 209 E HN 0.318 nan 8.360 nan 0.000 0.482 210 L N -1.271 119.977 121.223 0.042 0.000 2.749 210 L HA 0.315 4.655 4.340 -0.000 0.000 0.242 210 L C 0.995 177.891 176.870 0.044 0.000 1.103 210 L CA 0.238 55.112 54.840 0.056 0.000 0.906 210 L CB 0.352 42.466 42.059 0.092 0.000 1.228 210 L HN 0.085 nan 8.230 nan 0.000 0.517 211 G N 2.186 111.007 108.800 0.034 0.000 2.366 211 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.299 211 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.299 211 G C -0.341 174.579 174.900 0.034 0.000 1.020 211 G CA 0.407 45.523 45.100 0.028 0.000 1.026 211 G HN 0.232 nan 8.290 nan 0.000 0.512 212 L N -0.124 121.126 121.223 0.044 0.000 2.393 212 L HA 0.617 4.957 4.340 -0.000 0.000 0.260 212 L C -2.019 174.882 176.870 0.052 0.000 1.002 212 L CA -2.571 52.301 54.840 0.054 0.000 0.818 212 L CB 2.667 44.772 42.059 0.077 0.000 1.369 212 L HN -0.052 nan 8.230 nan 0.000 0.412 213 P HA 0.120 nan 4.420 nan 0.000 0.275 213 P C -0.807 176.529 177.300 0.060 0.000 1.227 213 P CA -0.245 62.887 63.100 0.053 0.000 0.781 213 P CB 1.169 32.906 31.700 0.060 0.000 0.906 214 V N 4.709 124.651 119.914 0.047 0.000 2.432 214 V HA 0.074 4.194 4.120 -0.000 0.000 0.271 214 V C 1.772 177.906 176.094 0.068 0.000 1.046 214 V CA 0.003 62.331 62.300 0.047 0.000 0.945 214 V CB 0.606 32.439 31.823 0.017 0.000 0.992 214 V HN 0.485 nan 8.190 nan 0.000 0.471 215 L N 4.047 125.317 121.223 0.079 0.000 2.375 215 L HA 0.452 4.792 4.340 -0.000 0.000 0.215 215 L C 1.043 177.969 176.870 0.093 0.000 1.108 215 L CA 0.850 55.745 54.840 0.092 0.000 0.830 215 L CB 0.076 42.193 42.059 0.096 0.000 0.959 215 L HN 0.856 nan 8.230 nan 0.000 0.457 216 G N -1.487 107.369 108.800 0.094 0.000 2.361 216 G HA2 0.329 4.289 3.960 -0.000 0.000 0.299 216 G HA3 0.329 4.289 3.960 -0.000 0.000 0.299 216 G C -1.521 173.443 174.900 0.107 0.000 1.544 216 G CA -0.551 44.622 45.100 0.122 0.000 0.860 216 G HN -0.191 nan 8.290 nan 0.000 0.610 217 S N 0.368 116.195 115.700 0.210 0.000 2.561 217 S HA 0.629 5.099 4.470 -0.000 0.000 0.303 217 S C -0.347 174.364 174.600 0.185 0.000 1.110 217 S CA -0.703 57.611 58.200 0.190 0.000 1.034 217 S CB 1.311 64.669 63.200 0.264 0.000 1.010 217 S HN 0.590 nan 8.310 nan 0.000 0.482 218 I N 2.746 123.340 120.570 0.039 0.000 2.330 218 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 218 I C 0.503 176.623 176.117 0.006 0.000 1.025 218 I CA -0.376 60.936 61.300 0.020 0.000 1.197 218 I CB 0.140 38.101 38.000 -0.066 0.000 1.358 218 I HN 0.809 nan 8.210 nan 0.000 0.467 219 Q N 3.627 123.418 119.800 -0.016 0.000 2.995 219 Q HA -0.238 4.102 4.340 -0.000 0.000 0.067 219 Q C 0.200 176.173 176.000 -0.045 0.000 1.578 219 Q CA 0.928 56.692 55.803 -0.065 0.000 0.370 219 Q CB -0.033 28.643 28.738 -0.104 0.000 0.611 219 Q HN 0.570 nan 8.270 nan 0.000 0.324 220 K N 3.795 124.129 120.400 -0.110 0.000 2.395 220 K HA 0.032 4.352 4.320 -0.000 0.000 0.283 220 K C -0.761 175.827 176.600 -0.020 0.000 1.068 220 K CA -0.338 55.853 56.287 -0.159 0.000 1.039 220 K CB 0.316 32.743 32.500 -0.121 0.000 0.924 220 K HN 0.200 nan 8.250 nan 0.000 0.468 221 F N 4.756 124.709 119.950 0.006 0.000 2.474 221 F HA -0.055 4.472 4.527 0.000 0.000 0.375 221 F C 0.690 176.488 175.800 -0.003 0.000 1.090 221 F CA -0.282 57.726 58.000 0.013 0.000 1.044 221 F CB -1.216 37.799 39.000 0.026 0.000 1.018 221 F HN 0.570 nan 8.300 nan 0.000 0.560 1002 T N 1.066 115.624 114.554 0.005 0.000 2.781 1002 T HA -0.017 4.333 4.350 -0.000 0.000 0.252 1002 T C 1.200 175.905 174.700 0.008 0.000 1.039 1002 T CA 1.943 64.042 62.100 -0.001 0.000 1.147 1002 T CB -0.435 68.441 68.868 0.014 0.000 0.865 1002 T HN 0.519 nan 8.240 nan 0.000 0.423 1003 N N 1.949 120.675 118.700 0.043 0.000 2.521 1003 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 1003 N C 1.337 176.875 175.510 0.047 0.000 1.146 1003 N CA 1.055 54.150 53.050 0.074 0.000 0.893 1003 N CB -0.526 38.027 38.487 0.110 0.000 0.975 1003 N HN 0.534 nan 8.380 nan 0.000 0.451 1004 T N -3.233 111.319 114.554 -0.003 0.000 3.040 1004 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 1004 T C 0.252 174.908 174.700 -0.074 0.000 1.005 1004 T CA -0.629 61.428 62.100 -0.071 0.000 0.906 1004 T CB -0.203 68.578 68.868 -0.144 0.000 1.082 1004 T HN 0.201 nan 8.240 nan 0.000 0.531 1005 R N 2.877 123.338 120.500 -0.065 0.000 3.322 1005 R HA -0.174 4.166 4.340 -0.000 0.000 0.253 1005 R C -0.807 175.451 176.300 -0.071 0.000 0.987 1005 R CA 0.621 56.670 56.100 -0.084 0.000 0.666 1005 R CB -2.247 27.990 30.300 -0.106 0.000 1.072 1005 R HN 0.761 nan 8.270 nan 0.000 0.447 1006 R N -1.260 119.207 120.500 -0.055 0.000 2.193 1006 R HA -0.170 4.170 4.340 -0.000 0.000 0.295 1006 R C -0.729 175.535 176.300 -0.060 0.000 1.096 1006 R CA 1.068 57.139 56.100 -0.048 0.000 1.042 1006 R CB -1.218 29.061 30.300 -0.035 0.000 2.840 1006 R HN 0.325 nan 8.270 nan 0.000 0.515 1007 S N 1.742 117.396 115.700 -0.076 0.000 2.578 1007 S HA 0.281 4.751 4.470 -0.000 0.000 0.283 1007 S C 1.282 175.849 174.600 -0.056 0.000 1.195 1007 S CA -0.640 57.509 58.200 -0.084 0.000 1.050 1007 S CB 2.018 65.132 63.200 -0.142 0.000 1.012 1007 S HN 0.516 nan 8.310 nan 0.000 0.511 1008 T N 1.952 116.479 114.554 -0.044 0.000 2.755 1008 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 1008 T C 1.331 176.014 174.700 -0.028 0.000 1.044 1008 T CA 0.880 62.964 62.100 -0.027 0.000 1.154 1008 T CB -0.273 68.583 68.868 -0.020 0.000 0.866 1008 T HN 0.743 nan 8.240 nan 0.000 0.416 1009 S N 1.848 117.524 115.700 -0.040 0.000 2.608 1009 S HA 0.144 4.614 4.470 -0.000 0.000 0.261 1009 S C 1.064 175.621 174.600 -0.072 0.000 1.314 1009 S CA -0.248 57.921 58.200 -0.052 0.000 0.992 1009 S CB 0.777 63.938 63.200 -0.064 0.000 0.935 1009 S HN 0.372 nan 8.310 nan 0.000 0.564 1010 S N 0.685 116.348 115.700 -0.061 0.000 2.660 1010 S HA 0.212 4.682 4.470 -0.000 0.000 0.227 1010 S C 0.227 174.744 174.600 -0.139 0.000 0.948 1010 S CA -0.452 57.727 58.200 -0.034 0.000 0.948 1010 S CB -0.489 62.808 63.200 0.161 0.000 0.779 1010 S HN 0.575 nan 8.310 nan 0.000 0.487 1011 L N 3.100 124.209 121.223 -0.189 0.000 2.796 1011 L HA 0.358 4.698 4.340 -0.000 0.000 0.235 1011 L C 1.011 177.777 176.870 -0.174 0.000 1.344 1011 L CA -0.389 54.317 54.840 -0.224 0.000 1.245 1011 L CB -0.796 41.103 42.059 -0.266 0.000 1.556 1011 L HN 0.186 nan 8.230 nan 0.000 0.423 1012 I N -0.471 119.945 120.570 -0.256 0.000 2.194 1012 I HA -0.272 3.898 4.170 -0.000 0.000 0.246 1012 I C 2.148 178.181 176.117 -0.140 0.000 1.093 1012 I CA 1.214 62.371 61.300 -0.237 0.000 1.355 1012 I CB -1.155 36.650 38.000 -0.325 0.000 1.046 1012 I HN 0.233 nan 8.210 nan 0.000 0.413 1013 V N 0.644 120.464 119.914 -0.156 0.000 2.490 1013 V HA -0.282 3.837 4.120 -0.000 0.000 0.250 1013 V C 2.590 178.681 176.094 -0.005 0.000 1.061 1013 V CA 2.141 64.394 62.300 -0.077 0.000 1.064 1013 V CB -1.149 30.600 31.823 -0.124 0.000 0.670 1013 V HN 0.465 nan 8.190 nan 0.000 0.461 1014 H N 0.953 119.971 119.070 -0.087 0.000 2.343 1014 H HA -0.102 4.454 4.556 -0.000 0.000 0.303 1014 H C 2.330 177.629 175.328 -0.048 0.000 1.068 1014 H CA 2.006 58.026 56.048 -0.047 0.000 1.359 1014 H CB 0.124 29.863 29.762 -0.039 0.000 1.402 1014 H HN 0.636 nan 8.280 nan 0.000 0.515 1015 E N -1.004 119.126 120.200 -0.117 0.000 2.276 1015 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 1015 E C 0.159 176.674 176.600 -0.142 0.000 0.983 1015 E CA 0.214 56.511 56.400 -0.170 0.000 0.861 1015 E CB 0.487 30.148 29.700 -0.064 0.000 0.817 1015 E HN 0.218 nan 8.360 nan 0.000 0.485 1016 Q N 0.674 120.407 119.800 -0.112 0.000 3.122 1016 Q HA 0.203 4.543 4.340 -0.000 0.000 0.282 1016 Q C -2.143 173.828 176.000 -0.048 0.000 0.947 1016 Q CA -1.944 53.809 55.803 -0.083 0.000 0.812 1016 Q CB 1.736 30.425 28.738 -0.083 0.000 1.333 1016 Q HN 0.257 nan 8.270 nan 0.000 0.430 1017 P HA -0.077 nan 4.420 nan 0.000 0.221 1017 P C 0.669 177.990 177.300 0.035 0.000 1.150 1017 P CA 0.793 63.887 63.100 -0.009 0.000 0.800 1017 P CB 0.568 32.254 31.700 -0.023 0.000 0.787 1018 K N 0.442 120.874 120.400 0.052 0.000 2.437 1018 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 1018 K C 0.924 177.641 176.600 0.195 0.000 1.024 1018 K CA 0.097 56.459 56.287 0.126 0.000 1.148 1018 K CB -0.051 32.546 32.500 0.162 0.000 0.860 1018 K HN 0.206 nan 8.250 nan 0.000 0.515 1019 S N 0.574 116.344 115.700 0.117 0.000 2.601 1019 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 1019 S C -1.890 172.806 174.600 0.160 0.000 1.305 1019 S CA -1.144 57.133 58.200 0.128 0.000 1.022 1019 S CB 1.613 64.836 63.200 0.038 0.000 0.940 1019 S HN -0.187 nan 8.310 nan 0.000 0.525 1020 P HA -0.115 nan 4.420 nan 0.000 0.216 1020 P C 1.488 178.867 177.300 0.131 0.000 1.153 1020 P CA 0.968 64.164 63.100 0.160 0.000 0.858 1020 P CB -0.061 31.753 31.700 0.192 0.000 0.789 1021 I N -0.674 119.987 120.570 0.151 0.000 2.202 1021 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 1021 I C 2.121 178.407 176.117 0.281 0.000 1.091 1021 I CA 1.695 63.112 61.300 0.196 0.000 1.368 1021 I CB -1.644 36.486 38.000 0.217 0.000 1.058 1021 I HN -0.027 nan 8.210 nan 0.000 0.410 1022 S N 0.718 116.562 115.700 0.239 0.000 2.387 1022 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 1022 S C 1.777 176.500 174.600 0.204 0.000 1.035 1022 S CA 1.185 59.538 58.200 0.256 0.000 1.014 1022 S CB -0.219 63.047 63.200 0.110 0.000 0.836 1022 S HN 0.439 nan 8.310 nan 0.000 0.466 1023 E N 1.129 121.399 120.200 0.117 0.000 2.150 1023 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 1023 E C 1.954 178.551 176.600 -0.006 0.000 0.985 1023 E CA 0.710 57.136 56.400 0.043 0.000 0.814 1023 E CB -0.130 29.576 29.700 0.010 0.000 0.752 1023 E HN 0.357 nan 8.360 nan 0.000 0.466 1024 K N 0.223 120.610 120.400 -0.021 0.000 2.057 1024 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 1024 K C 2.107 178.638 176.600 -0.116 0.000 1.050 1024 K CA 0.619 56.827 56.287 -0.131 0.000 0.935 1024 K CB -0.674 31.732 32.500 -0.157 0.000 0.715 1024 K HN 0.148 nan 8.250 nan 0.000 0.439 1025 F N 1.770 121.742 119.950 0.036 0.000 2.161 1025 F HA -0.176 4.351 4.527 0.000 0.000 0.300 1025 F C 2.422 178.214 175.800 -0.013 0.000 1.089 1025 F CA 1.429 59.453 58.000 0.040 0.000 1.282 1025 F CB -0.282 38.752 39.000 0.057 0.000 1.010 1025 F HN 0.032 nan 8.300 nan 0.000 0.485 1026 R N -0.222 120.351 120.500 0.123 0.000 2.075 1026 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 1026 R C 2.633 178.904 176.300 -0.048 0.000 1.126 1026 R CA 1.029 57.128 56.100 -0.001 0.000 0.963 1026 R CB -1.326 28.965 30.300 -0.014 0.000 0.858 1026 R HN 0.392 nan 8.270 nan 0.000 0.435 1027 G N 1.971 110.746 108.800 -0.041 0.000 2.556 1027 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 1027 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 1027 G C 1.452 176.342 174.900 -0.017 0.000 1.156 1027 G CA 1.132 46.208 45.100 -0.040 0.000 0.766 1027 G HN 0.189 nan 8.290 nan 0.000 0.583 1028 I N 0.049 120.620 120.570 0.001 0.000 2.202 1028 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 1028 I C 2.797 178.919 176.117 0.008 0.000 1.091 1028 I CA 1.242 62.566 61.300 0.039 0.000 1.368 1028 I CB -0.286 37.765 38.000 0.085 0.000 1.058 1028 I HN 0.131 nan 8.210 nan 0.000 0.410 1029 R N 0.697 121.168 120.500 -0.049 0.000 2.133 1029 R HA -0.241 4.099 4.340 -0.000 0.000 0.245 1029 R C 2.386 178.484 176.300 -0.337 0.000 1.137 1029 R CA 2.425 58.367 56.100 -0.262 0.000 0.947 1029 R CB -0.291 29.703 30.300 -0.510 0.000 0.865 1029 R HN 0.240 nan 8.270 nan 0.000 0.437 1030 S N 0.718 116.224 115.700 -0.323 0.000 2.348 1030 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 1030 S C 1.550 175.797 174.600 -0.588 0.000 1.033 1030 S CA 1.405 59.288 58.200 -0.528 0.000 1.010 1030 S CB -0.369 62.641 63.200 -0.317 0.000 0.891 1030 S HN 0.463 nan 8.310 nan 0.000 0.442 1031 N N 1.366 119.993 118.700 -0.121 0.000 2.272 1031 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 1031 N C 1.578 177.130 175.510 0.070 0.000 1.014 1031 N CA 0.753 53.871 53.050 0.114 0.000 0.870 1031 N CB -0.416 38.162 38.487 0.152 0.000 0.975 1031 N HN 0.412 nan 8.380 nan 0.000 0.433 1032 I N 1.123 121.695 120.570 0.003 0.000 2.163 1032 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 1032 I C 2.125 178.256 176.117 0.022 0.000 1.081 1032 I CA 1.024 62.359 61.300 0.059 0.000 1.353 1032 I CB -0.190 37.883 38.000 0.121 0.000 1.054 1032 I HN 0.040 nan 8.210 nan 0.000 0.407 1033 M N -0.534 118.987 119.600 -0.132 0.000 2.279 1033 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 1033 M C 1.969 178.264 176.300 -0.009 0.000 1.062 1033 M CA 1.715 56.944 55.300 -0.119 0.000 1.099 1033 M CB -0.493 31.951 32.600 -0.259 0.000 1.394 1033 M HN 0.086 nan 8.290 nan 0.000 0.426 1034 F N 1.046 121.023 119.950 0.044 0.000 2.234 1034 F HA 0.130 4.657 4.527 0.000 0.000 0.296 1034 F C 2.651 178.480 175.800 0.048 0.000 1.089 1034 F CA 0.620 58.644 58.000 0.040 0.000 1.343 1034 F CB -1.279 37.737 39.000 0.026 0.000 1.040 1034 F HN 0.087 nan 8.300 nan 0.000 0.498 1035 A N -0.515 122.445 122.820 0.233 0.000 2.272 1035 A HA -0.169 4.151 4.320 -0.000 0.000 0.213 1035 A C 0.558 178.221 177.584 0.132 0.000 1.183 1035 A CA 1.389 53.522 52.037 0.160 0.000 0.719 1035 A CB -1.111 17.971 19.000 0.135 0.000 0.771 1035 A HN 0.472 nan 8.150 nan 0.000 0.484 1036 N N -0.661 118.124 118.700 0.142 0.000 2.839 1036 N HA 0.228 4.968 4.740 -0.000 0.000 0.230 1036 N C -3.077 172.506 175.510 0.122 0.000 1.388 1036 N CA -0.911 52.210 53.050 0.119 0.000 0.747 1036 N CB 1.619 40.176 38.487 0.117 0.000 1.411 1036 N HN 0.049 nan 8.380 nan 0.000 0.556 1037 P HA 0.453 nan 4.420 nan 0.000 0.293 1037 P C -0.333 177.017 177.300 0.083 0.000 1.304 1037 P CA 0.321 63.484 63.100 0.105 0.000 0.767 1037 P CB 1.264 33.022 31.700 0.097 0.000 1.247 1038 D N -2.530 117.914 120.400 0.074 0.000 3.260 1038 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 1038 D C 0.106 176.446 176.300 0.067 0.000 1.300 1038 D CA 2.272 56.309 54.000 0.062 0.000 2.160 1038 D CB -1.706 39.126 40.800 0.055 0.000 1.288 1038 D HN 0.641 nan 8.370 nan 0.000 0.490 1039 S N -0.086 115.661 115.700 0.078 0.000 2.547 1039 S HA 0.771 5.241 4.470 -0.000 0.000 0.281 1039 S C -0.277 174.387 174.600 0.106 0.000 1.118 1039 S CA -0.079 58.172 58.200 0.085 0.000 0.947 1039 S CB 2.665 65.912 63.200 0.080 0.000 1.053 1039 S HN 0.604 nan 8.310 nan 0.000 0.482 1040 A N 2.478 125.368 122.820 0.117 0.000 2.498 1040 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 1040 A C 0.159 177.845 177.584 0.170 0.000 1.068 1040 A CA -0.479 51.648 52.037 0.150 0.000 0.766 1040 A CB -0.110 18.991 19.000 0.169 0.000 1.003 1040 A HN 1.172 nan 8.150 nan 0.000 0.497 1041 V N 3.909 123.945 119.914 0.203 0.000 2.372 1041 V HA 0.083 4.203 4.120 -0.000 0.000 0.261 1041 V C 1.188 177.478 176.094 0.328 0.000 1.055 1041 V CA 0.438 62.876 62.300 0.231 0.000 0.930 1041 V CB 0.268 32.239 31.823 0.247 0.000 1.031 1041 V HN 1.071 nan 8.190 nan 0.000 0.479 1042 Q N 3.324 123.262 119.800 0.231 0.000 2.360 1042 Q HA 0.232 4.572 4.340 -0.000 0.000 0.202 1042 Q C 0.391 176.326 176.000 -0.109 0.000 0.915 1042 Q CA 0.121 56.049 55.803 0.209 0.000 0.943 1042 Q CB 0.506 29.339 28.738 0.157 0.000 1.064 1042 Q HN 0.698 nan 8.270 nan 0.000 0.511 1043 S N 0.457 116.063 115.700 -0.156 0.000 2.537 1043 S HA 0.689 5.159 4.470 -0.000 0.000 0.271 1043 S C -0.683 173.794 174.600 -0.205 0.000 1.148 1043 S CA -1.110 56.874 58.200 -0.360 0.000 0.868 1043 S CB 1.295 64.463 63.200 -0.053 0.000 1.115 1043 S HN 0.419 nan 8.310 nan 0.000 0.461 1044 I N -1.112 119.282 120.570 -0.293 0.000 2.934 1044 I HA 0.896 5.066 4.170 -0.000 0.000 0.306 1044 I C -1.290 174.782 176.117 -0.074 0.000 1.110 1044 I CA -1.441 59.807 61.300 -0.086 0.000 1.019 1044 I CB 1.965 39.972 38.000 0.011 0.000 1.227 1044 I HN 0.464 nan 8.210 nan 0.000 0.434 1045 V N 4.949 124.860 119.914 -0.005 0.000 2.472 1045 V HA 0.436 4.555 4.120 -0.000 0.000 0.290 1045 V C 0.159 176.274 176.094 0.034 0.000 1.037 1045 V CA -0.565 61.730 62.300 -0.009 0.000 0.908 1045 V CB 1.675 33.524 31.823 0.044 0.000 0.985 1045 V HN 0.425 nan 8.190 nan 0.000 0.454 1046 I N 4.195 124.782 120.570 0.028 0.000 2.336 1046 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 1046 I C 0.184 176.357 176.117 0.093 0.000 0.991 1046 I CA 0.240 61.588 61.300 0.079 0.000 1.227 1046 I CB 1.344 39.388 38.000 0.073 0.000 1.366 1046 I HN 0.665 nan 8.210 nan 0.000 0.466 1047 T N 3.984 118.631 114.554 0.156 0.000 2.731 1047 T HA 0.735 5.085 4.350 -0.000 0.000 0.300 1047 T C -0.823 174.028 174.700 0.253 0.000 1.283 1047 T CA -0.257 61.950 62.100 0.178 0.000 1.005 1047 T CB 1.753 70.721 68.868 0.167 0.000 1.420 1047 T HN 0.851 nan 8.240 nan 0.000 0.503 1048 S N 0.062 115.898 115.700 0.226 0.000 2.672 1048 S HA 0.440 4.910 4.470 -0.000 0.000 0.271 1048 S C 0.689 175.431 174.600 0.236 0.000 1.171 1048 S CA -0.244 58.048 58.200 0.154 0.000 0.817 1048 S CB 1.267 64.436 63.200 -0.052 0.000 1.150 1048 S HN 0.833 nan 8.310 nan 0.000 0.478 1049 E N 0.898 121.184 120.200 0.144 0.000 2.208 1049 E HA 0.236 4.586 4.350 -0.000 0.000 0.193 1049 E C 0.530 177.177 176.600 0.079 0.000 0.988 1049 E CA 1.063 57.558 56.400 0.158 0.000 0.828 1049 E CB -0.114 29.662 29.700 0.127 0.000 0.763 1049 E HN 1.031 nan 8.360 nan 0.000 0.478 1050 A N 0.826 123.670 122.820 0.040 0.000 2.594 1050 A HA 0.574 4.894 4.320 -0.000 0.000 0.295 1050 A C -2.873 174.721 177.584 0.016 0.000 1.071 1050 A CA -1.572 50.480 52.037 0.025 0.000 0.685 1050 A CB 1.171 20.177 19.000 0.011 0.000 1.285 1050 A HN -0.075 nan 8.150 nan 0.000 0.405 1051 P HA 0.285 nan 4.420 nan 0.000 0.266 1051 P C 0.974 178.276 177.300 0.003 0.000 1.193 1051 P CA 2.121 65.230 63.100 0.015 0.000 0.770 1051 P CB 0.434 32.144 31.700 0.015 0.000 0.836 1052 G N 1.898 110.701 108.800 0.004 0.000 2.305 1052 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.287 1052 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.287 1052 G C 0.903 175.790 174.900 -0.022 0.000 1.036 1052 G CA 0.269 45.364 45.100 -0.008 0.000 0.887 1052 G HN 0.728 nan 8.290 nan 0.000 0.505 1053 A N -1.142 121.666 122.820 -0.020 0.000 2.178 1053 A HA 0.580 4.900 4.320 -0.000 0.000 0.211 1053 A C 2.462 180.023 177.584 -0.038 0.000 1.157 1053 A CA 1.767 53.780 52.037 -0.040 0.000 0.780 1053 A CB -0.125 18.844 19.000 -0.052 0.000 0.828 1053 A HN 2.435 nan 8.150 nan 0.000 0.476 1054 G N -1.572 107.219 108.800 -0.016 0.000 2.201 1054 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.212 1054 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.212 1054 G C 1.072 176.001 174.900 0.047 0.000 0.994 1054 G CA 0.403 45.505 45.100 0.004 0.000 0.644 1054 G HN 0.240 nan 8.290 nan 0.000 0.508 1055 M N 0.970 120.595 119.600 0.042 0.000 2.147 1055 M HA -0.226 4.254 4.480 -0.000 0.000 0.253 1055 M C 2.631 178.981 176.300 0.083 0.000 1.075 1055 M CA 2.695 58.034 55.300 0.065 0.000 1.085 1055 M CB -0.638 31.997 32.600 0.057 0.000 1.305 1055 M HN 0.297 nan 8.290 nan 0.000 0.409 1056 S N -0.614 115.130 115.700 0.073 0.000 2.387 1056 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 1056 S C 1.922 176.579 174.600 0.094 0.000 1.026 1056 S CA 1.641 59.889 58.200 0.081 0.000 0.972 1056 S CB -0.358 62.888 63.200 0.076 0.000 0.814 1056 S HN 0.498 nan 8.310 nan 0.000 0.477 1057 T N 2.886 117.499 114.554 0.100 0.000 2.770 1057 T HA 0.023 4.373 4.350 -0.000 0.000 0.263 1057 T C 1.733 176.547 174.700 0.190 0.000 1.039 1057 T CA 0.811 62.989 62.100 0.130 0.000 1.142 1057 T CB -0.290 68.671 68.868 0.155 0.000 0.868 1057 T HN 0.187 nan 8.240 nan 0.000 0.435 1058 I N 2.117 122.838 120.570 0.251 0.000 2.194 1058 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 1058 I C 2.812 179.088 176.117 0.264 0.000 1.093 1058 I CA 1.062 62.592 61.300 0.384 0.000 1.355 1058 I CB -1.709 36.466 38.000 0.292 0.000 1.046 1058 I HN 0.193 nan 8.210 nan 0.000 0.413 1059 A N 0.472 123.394 122.820 0.170 0.000 1.898 1059 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 1059 A C 2.561 180.228 177.584 0.137 0.000 1.181 1059 A CA 1.865 53.986 52.037 0.140 0.000 0.620 1059 A CB -0.821 18.237 19.000 0.095 0.000 0.819 1059 A HN 0.405 nan 8.150 nan 0.000 0.442 1060 A N 0.417 123.316 122.820 0.132 0.000 1.873 1060 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 1060 A C 1.887 179.497 177.584 0.043 0.000 1.186 1060 A CA 1.868 54.017 52.037 0.186 0.000 0.616 1060 A CB -0.825 18.206 19.000 0.052 0.000 0.823 1060 A HN 0.626 nan 8.150 nan 0.000 0.442 1061 N N -0.381 118.200 118.700 -0.199 0.000 2.120 1061 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 1061 N C 1.534 176.858 175.510 -0.310 0.000 1.024 1061 N CA 1.302 54.035 53.050 -0.528 0.000 0.852 1061 N CB -0.277 37.304 38.487 -1.510 0.000 1.003 1061 N HN 0.369 nan 8.380 nan 0.000 0.424 1062 L N 0.979 122.165 121.223 -0.061 0.000 2.042 1062 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 1062 L C 2.045 179.075 176.870 0.268 0.000 1.076 1062 L CA 1.434 56.411 54.840 0.230 0.000 0.749 1062 L CB -0.940 41.321 42.059 0.336 0.000 0.893 1062 L HN 0.178 nan 8.230 nan 0.000 0.432 1063 A N -1.263 121.677 122.820 0.200 0.000 1.908 1063 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1063 A C 2.261 179.972 177.584 0.212 0.000 1.181 1063 A CA 2.156 54.316 52.037 0.205 0.000 0.627 1063 A CB -1.096 17.991 19.000 0.146 0.000 0.818 1063 A HN 0.308 nan 8.150 nan 0.000 0.445 1064 V N -0.195 119.817 119.914 0.164 0.000 2.358 1064 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 1064 V C 3.056 179.217 176.094 0.112 0.000 1.047 1064 V CA 1.834 64.218 62.300 0.139 0.000 1.035 1064 V CB -1.357 30.525 31.823 0.098 0.000 0.658 1064 V HN 0.624 nan 8.190 nan 0.000 0.452 1065 A N -0.943 121.925 122.820 0.079 0.000 1.892 1065 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 1065 A C 2.104 179.669 177.584 -0.031 0.000 1.188 1065 A CA 2.149 54.202 52.037 0.026 0.000 0.631 1065 A CB -0.875 18.143 19.000 0.030 0.000 0.822 1065 A HN 0.569 nan 8.150 nan 0.000 0.447 1066 Y N -0.207 120.057 120.300 -0.061 0.000 2.224 1066 Y HA -0.115 4.435 4.550 -0.000 0.000 0.289 1066 Y C 2.874 178.808 175.900 0.056 0.000 1.146 1066 Y CA 1.141 59.150 58.100 -0.151 0.000 1.182 1066 Y CB -0.327 38.004 38.460 -0.215 0.000 0.983 1066 Y HN 0.357 nan 8.280 nan 0.000 0.524 1067 A N -0.350 122.607 122.820 0.228 0.000 1.873 1067 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 1067 A C 2.046 179.725 177.584 0.157 0.000 1.186 1067 A CA 1.671 53.831 52.037 0.204 0.000 0.616 1067 A CB -0.712 18.386 19.000 0.163 0.000 0.823 1067 A HN 0.500 nan 8.150 nan 0.000 0.442 1068 Q N -0.873 118.995 119.800 0.113 0.000 2.234 1068 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 1068 Q C 1.768 177.811 176.000 0.071 0.000 0.980 1068 Q CA 1.145 56.996 55.803 0.080 0.000 0.869 1068 Q CB -0.279 28.492 28.738 0.055 0.000 0.912 1068 Q HN 0.667 nan 8.270 nan 0.000 0.436 1069 A N -0.639 122.235 122.820 0.091 0.000 2.337 1069 A HA 0.390 4.710 4.320 -0.000 0.000 0.227 1069 A C 1.233 178.915 177.584 0.163 0.000 1.259 1069 A CA 0.528 52.630 52.037 0.109 0.000 0.870 1069 A CB -0.154 18.894 19.000 0.080 0.000 0.927 1069 A HN 0.396 nan 8.150 nan 0.000 0.497 1070 G N -1.677 107.213 108.800 0.150 0.000 2.148 1070 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.254 1070 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.254 1070 G C -0.036 174.900 174.900 0.059 0.000 0.981 1070 G CA 0.293 45.441 45.100 0.079 0.000 0.670 1070 G HN 0.489 nan 8.290 nan 0.000 0.528 1071 Y N 0.422 120.776 120.300 0.091 0.000 2.359 1071 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 1071 Y C 1.181 177.183 175.900 0.169 0.000 1.143 1071 Y CA -0.023 58.169 58.100 0.154 0.000 1.318 1071 Y CB 0.794 39.409 38.460 0.258 0.000 1.234 1071 Y HN 0.027 nan 8.280 nan 0.000 0.522 1072 K N 2.583 123.151 120.400 0.281 0.000 2.349 1072 K HA 0.190 4.510 4.320 -0.000 0.000 0.289 1072 K C -0.956 175.895 176.600 0.419 0.000 1.064 1072 K CA 0.060 56.512 56.287 0.275 0.000 0.947 1072 K CB 0.263 32.854 32.500 0.152 0.000 1.007 1072 K HN 0.640 nan 8.250 nan 0.000 0.478 1073 T N 4.738 119.505 114.554 0.356 0.000 2.812 1073 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 1073 T C -1.210 173.479 174.700 -0.019 0.000 0.990 1073 T CA -0.687 61.551 62.100 0.230 0.000 0.960 1073 T CB 0.975 69.992 68.868 0.249 0.000 0.948 1073 T HN 0.338 nan 8.240 nan 0.000 0.438 1074 L N 4.732 125.751 121.223 -0.340 0.000 2.287 1074 L HA 0.667 5.007 4.340 -0.000 0.000 0.287 1074 L C -0.620 176.014 176.870 -0.393 0.000 1.022 1074 L CA -0.895 53.561 54.840 -0.639 0.000 0.814 1074 L CB 0.817 42.064 42.059 -1.354 0.000 1.217 1074 L HN 0.727 nan 8.230 nan 0.000 0.420 1075 I N 5.780 126.154 120.570 -0.327 0.000 2.342 1075 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 1075 I C -0.972 174.983 176.117 -0.270 0.000 1.010 1075 I CA -0.383 60.762 61.300 -0.257 0.000 1.308 1075 I CB 1.126 39.016 38.000 -0.183 0.000 1.400 1075 I HN 0.390 nan 8.210 nan 0.000 0.488 1076 V N 6.726 126.497 119.914 -0.238 0.000 2.435 1076 V HA 0.253 4.373 4.120 -0.000 0.000 0.290 1076 V C -0.234 175.748 176.094 -0.186 0.000 1.030 1076 V CA -0.620 61.554 62.300 -0.211 0.000 0.881 1076 V CB 1.427 33.129 31.823 -0.202 0.000 0.983 1076 V HN 0.631 nan 8.190 nan 0.000 0.445 1077 D N 3.974 124.291 120.400 -0.138 0.000 2.483 1077 D HA 0.231 4.871 4.640 -0.000 0.000 0.220 1077 D C 1.046 177.278 176.300 -0.112 0.000 1.173 1077 D CA 0.045 53.987 54.000 -0.097 0.000 0.964 1077 D CB 1.065 41.842 40.800 -0.039 0.000 1.046 1077 D HN 0.718 nan 8.370 nan 0.000 0.517 1078 G N 2.410 111.082 108.800 -0.212 0.000 3.327 1078 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.240 1078 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.240 1078 G C 0.415 175.342 174.900 0.045 0.000 1.222 1078 G CA -0.315 44.663 45.100 -0.204 0.000 0.871 1078 G HN 0.306 nan 8.290 nan 0.000 0.525 1079 D N 0.831 121.241 120.400 0.016 0.000 2.467 1079 D HA 0.269 4.909 4.640 -0.000 0.000 0.220 1079 D C 0.952 177.277 176.300 0.042 0.000 1.103 1079 D CA -0.469 53.565 54.000 0.056 0.000 0.886 1079 D CB 0.475 41.306 40.800 0.053 0.000 1.025 1079 D HN 0.080 nan 8.370 nan 0.000 0.514 1080 M N 3.356 122.979 119.600 0.039 0.000 2.859 1080 M HA 0.278 4.758 4.480 -0.000 0.000 0.297 1080 M C 0.910 177.215 176.300 0.008 0.000 1.268 1080 M CA -0.074 55.229 55.300 0.006 0.000 1.003 1080 M CB 0.598 33.187 32.600 -0.019 0.000 1.308 1080 M HN 0.163 nan 8.290 nan 0.000 0.502 1081 R N -0.028 120.489 120.500 0.029 0.000 2.716 1081 R HA 0.228 4.568 4.340 -0.000 0.000 0.186 1081 R C 0.311 176.643 176.300 0.053 0.000 0.830 1081 R CA 0.011 56.131 56.100 0.032 0.000 1.059 1081 R CB 0.786 31.102 30.300 0.028 0.000 1.531 1081 R HN 0.117 nan 8.270 nan 0.000 0.633 1082 K N 2.110 122.551 120.400 0.069 0.000 3.084 1082 K HA 0.280 4.600 4.320 -0.000 0.000 0.172 1082 K C -2.659 174.023 176.600 0.136 0.000 1.078 1082 K CA -1.363 54.984 56.287 0.100 0.000 0.875 1082 K CB 1.849 34.400 32.500 0.084 0.000 1.064 1082 K HN 0.017 nan 8.250 nan 0.000 0.597 1083 P HA -0.029 nan 4.420 nan 0.000 0.268 1083 P C 0.420 177.881 177.300 0.269 0.000 1.204 1083 P CA 0.312 63.518 63.100 0.177 0.000 0.768 1083 P CB 1.194 32.967 31.700 0.122 0.000 0.842 1084 T N -2.046 112.619 114.554 0.185 0.000 2.975 1084 T HA 0.011 4.361 4.350 -0.000 0.000 0.261 1084 T C 1.456 176.182 174.700 0.044 0.000 0.984 1084 T CA -0.145 62.046 62.100 0.150 0.000 0.911 1084 T CB -0.169 68.809 68.868 0.182 0.000 1.127 1084 T HN 0.054 nan 8.240 nan 0.000 0.514 1085 Q N 2.007 121.879 119.800 0.119 0.000 2.152 1085 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 1085 Q C 2.221 178.310 176.000 0.149 0.000 0.985 1085 Q CA 2.066 57.973 55.803 0.173 0.000 0.863 1085 Q CB -0.629 28.202 28.738 0.154 0.000 0.904 1085 Q HN 0.916 nan 8.270 nan 0.000 0.422 1086 H N -1.724 117.293 119.070 -0.087 0.000 2.457 1086 H HA -0.079 4.477 4.556 -0.000 0.000 0.294 1086 H C 1.321 176.550 175.328 -0.165 0.000 1.064 1086 H CA 1.035 56.988 56.048 -0.157 0.000 1.330 1086 H CB -0.605 28.990 29.762 -0.278 0.000 1.395 1086 H HN 0.247 nan 8.280 nan 0.000 0.541 1087 Y N 1.118 121.162 120.300 -0.427 0.000 2.176 1087 Y HA 0.028 4.578 4.550 -0.000 0.000 0.291 1087 Y C 3.059 178.886 175.900 -0.122 0.000 1.122 1087 Y CA 0.513 58.462 58.100 -0.251 0.000 1.128 1087 Y CB -0.651 37.644 38.460 -0.275 0.000 1.005 1087 Y HN 0.027 nan 8.280 nan 0.000 0.509 1088 I N -0.834 119.764 120.570 0.046 0.000 2.113 1088 I HA -0.382 3.788 4.170 -0.000 0.000 0.242 1088 I C 1.618 177.586 176.117 -0.247 0.000 1.057 1088 I CA 1.921 63.152 61.300 -0.115 0.000 1.314 1088 I CB -0.506 37.396 38.000 -0.163 0.000 1.022 1088 I HN 0.103 nan 8.210 nan 0.000 0.408 1089 F N -0.007 119.929 119.950 -0.024 0.000 2.765 1089 F HA 0.128 4.655 4.527 -0.000 0.000 0.302 1089 F C 0.899 176.684 175.800 -0.024 0.000 1.111 1089 F CA 0.106 58.084 58.000 -0.038 0.000 1.359 1089 F CB -0.439 38.532 39.000 -0.049 0.000 1.097 1089 F HN 0.143 nan 8.300 nan 0.000 0.577 1090 N N 1.604 120.377 118.700 0.122 0.000 2.663 1090 N HA -0.198 4.542 4.740 -0.000 0.000 0.263 1090 N C -1.499 174.064 175.510 0.089 0.000 1.109 1090 N CA 0.317 53.421 53.050 0.089 0.000 0.701 1090 N CB -1.154 37.373 38.487 0.065 0.000 0.879 1090 N HN 0.299 nan 8.380 nan 0.000 0.550 1091 L N 0.711 121.985 121.223 0.086 0.000 2.376 1091 L HA 0.737 5.077 4.340 -0.000 0.000 0.258 1091 L C -1.911 174.993 176.870 0.056 0.000 1.013 1091 L CA -1.868 53.012 54.840 0.066 0.000 0.822 1091 L CB 1.975 44.068 42.059 0.058 0.000 1.388 1091 L HN 0.109 nan 8.230 nan 0.000 0.413 1092 P HA 0.140 nan 4.420 nan 0.000 0.274 1092 P C -0.978 176.298 177.300 -0.040 0.000 1.231 1092 P CA -0.260 62.846 63.100 0.009 0.000 0.790 1092 P CB 1.103 32.806 31.700 0.005 0.000 0.951 1093 N N 1.416 120.056 118.700 -0.099 0.000 2.541 1093 N HA 0.078 4.818 4.740 -0.000 0.000 0.297 1093 N C 0.524 175.957 175.510 -0.128 0.000 1.503 1093 N CA -0.205 52.723 53.050 -0.203 0.000 0.919 1093 N CB -0.434 37.722 38.487 -0.551 0.000 1.305 1093 N HN 0.171 nan 8.380 nan 0.000 0.501 1094 N N -0.003 118.662 118.700 -0.058 0.000 2.250 1094 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 1094 N C -0.377 175.138 175.510 0.009 0.000 1.017 1094 N CA 0.968 54.010 53.050 -0.013 0.000 0.866 1094 N CB 0.474 38.963 38.487 0.002 0.000 0.985 1094 N HN 0.522 nan 8.380 nan 0.000 0.429 1095 E N -1.039 119.153 120.200 -0.013 0.000 2.343 1095 E HA 0.695 5.045 4.350 -0.000 0.000 0.270 1095 E C -0.207 176.364 176.600 -0.048 0.000 0.895 1095 E CA -0.893 55.505 56.400 -0.002 0.000 0.767 1095 E CB 2.631 32.338 29.700 0.011 0.000 1.248 1095 E HN 0.144 nan 8.360 nan 0.000 0.440 1096 G N 0.342 109.110 108.800 -0.055 0.000 2.364 1096 G HA2 0.103 4.063 3.960 -0.000 0.000 0.286 1096 G HA3 0.103 4.063 3.960 -0.000 0.000 0.286 1096 G C -0.325 174.527 174.900 -0.079 0.000 1.241 1096 G CA -0.665 44.385 45.100 -0.083 0.000 0.887 1096 G HN 0.424 nan 8.290 nan 0.000 0.484 1097 L N 1.333 122.511 121.223 -0.075 0.000 2.012 1097 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 1097 L C 3.149 179.974 176.870 -0.074 0.000 1.073 1097 L CA 3.618 58.432 54.840 -0.043 0.000 0.748 1097 L CB -0.731 41.325 42.059 -0.006 0.000 0.891 1097 L HN 0.866 nan 8.230 nan 0.000 0.431 1098 S N -1.159 114.468 115.700 -0.122 0.000 2.356 1098 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 1098 S C 2.148 176.530 174.600 -0.362 0.000 1.032 1098 S CA 1.674 59.742 58.200 -0.220 0.000 1.005 1098 S CB -1.197 61.869 63.200 -0.224 0.000 0.867 1098 S HN 0.691 nan 8.310 nan 0.000 0.449 1099 S N 1.912 117.438 115.700 -0.291 0.000 2.402 1099 S HA 0.002 4.472 4.470 -0.000 0.000 0.229 1099 S C 1.858 176.371 174.600 -0.144 0.000 1.021 1099 S CA 0.959 59.004 58.200 -0.260 0.000 0.974 1099 S CB -0.907 62.336 63.200 0.073 0.000 0.800 1099 S HN 0.373 nan 8.310 nan 0.000 0.484 1100 L N 1.665 122.836 121.223 -0.088 0.000 2.012 1100 L HA 0.099 4.439 4.340 -0.000 0.000 0.210 1100 L C 2.335 179.181 176.870 -0.041 0.000 1.073 1100 L CA 1.623 56.444 54.840 -0.032 0.000 0.748 1100 L CB -0.855 41.192 42.059 -0.021 0.000 0.891 1100 L HN 0.368 nan 8.230 nan 0.000 0.431 1101 L N -1.511 119.665 121.223 -0.080 0.000 2.156 1101 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 1101 L C 2.204 179.011 176.870 -0.105 0.000 1.095 1101 L CA 0.757 55.565 54.840 -0.054 0.000 0.770 1101 L CB -0.433 41.610 42.059 -0.028 0.000 0.914 1101 L HN 0.233 nan 8.230 nan 0.000 0.439 1102 L N -0.037 121.029 121.223 -0.261 0.000 2.610 1102 L HA 0.012 4.352 4.340 -0.000 0.000 0.232 1102 L C 0.404 177.251 176.870 -0.038 0.000 1.149 1102 L CA 0.042 54.704 54.840 -0.297 0.000 0.872 1102 L CB -0.460 41.048 42.059 -0.918 0.000 0.992 1102 L HN 0.411 nan 8.230 nan 0.000 0.447 1103 N N -1.990 116.718 118.700 0.012 0.000 2.725 1103 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 1103 N C 0.259 175.945 175.510 0.292 0.000 1.103 1103 N CA 1.002 54.130 53.050 0.131 0.000 0.707 1103 N CB -1.440 37.117 38.487 0.117 0.000 1.043 1103 N HN 0.466 nan 8.380 nan 0.000 0.553 1104 W N 1.249 122.557 121.300 0.013 0.000 2.518 1104 W HA 0.106 4.766 4.660 0.000 0.000 0.273 1104 W C 1.699 178.221 176.519 0.006 0.000 1.247 1104 W CA 0.880 58.229 57.345 0.007 0.000 1.288 1104 W CB -0.408 29.052 29.460 0.001 0.000 1.107 1104 W HN 0.211 nan 8.180 nan 0.000 0.586 1105 S N -1.506 114.332 115.700 0.229 0.000 2.661 1105 S HA 0.645 5.115 4.470 -0.000 0.000 0.285 1105 S C -0.190 174.467 174.600 0.094 0.000 1.138 1105 S CA -0.536 57.744 58.200 0.132 0.000 0.855 1105 S CB 2.354 65.616 63.200 0.103 0.000 1.136 1105 S HN -0.031 nan 8.310 nan 0.000 0.484 1106 T N -1.046 113.554 114.554 0.075 0.000 2.927 1106 T HA 0.391 4.741 4.350 -0.000 0.000 0.281 1106 T C 0.722 175.481 174.700 0.098 0.000 0.998 1106 T CA -0.552 61.602 62.100 0.091 0.000 1.019 1106 T CB 0.639 69.556 68.868 0.082 0.000 1.061 1106 T HN 0.732 nan 8.240 nan 0.000 0.518 1107 Y N 1.754 122.062 120.300 0.014 0.000 2.181 1107 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 1107 Y C 2.796 178.703 175.900 0.012 0.000 1.146 1107 Y CA 2.042 60.148 58.100 0.009 0.000 1.164 1107 Y CB -0.123 38.339 38.460 0.003 0.000 0.982 1107 Y HN 0.726 nan 8.280 nan 0.000 0.515 1108 Q N -0.311 119.607 119.800 0.198 0.000 2.079 1108 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1108 Q C 1.263 177.269 176.000 0.009 0.000 0.974 1108 Q CA 1.705 57.575 55.803 0.110 0.000 0.840 1108 Q CB -0.673 28.139 28.738 0.124 0.000 0.898 1108 Q HN 0.502 nan 8.270 nan 0.000 0.430 1109 D N 1.004 121.411 120.400 0.011 0.000 2.234 1109 D HA 0.005 4.644 4.640 -0.000 0.000 0.205 1109 D C 1.614 177.889 176.300 -0.042 0.000 0.962 1109 D CA 0.905 54.901 54.000 -0.007 0.000 0.855 1109 D CB 0.122 40.930 40.800 0.013 0.000 0.951 1109 D HN 0.187 nan 8.370 nan 0.000 0.500 1110 S N 0.041 115.694 115.700 -0.078 0.000 2.470 1110 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 1110 S C 1.120 175.632 174.600 -0.148 0.000 1.006 1110 S CA 0.058 58.197 58.200 -0.102 0.000 0.934 1110 S CB 0.614 63.750 63.200 -0.106 0.000 0.778 1110 S HN 0.173 nan 8.310 nan 0.000 0.517 1111 I N 1.872 122.323 120.570 -0.197 0.000 2.359 1111 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 1111 I C -0.703 175.347 176.117 -0.112 0.000 0.987 1111 I CA -0.462 60.726 61.300 -0.187 0.000 1.225 1111 I CB 1.378 39.226 38.000 -0.253 0.000 1.366 1111 I HN 0.007 nan 8.210 nan 0.000 0.466 1112 I N 4.290 124.799 120.570 -0.103 0.000 2.493 1112 I HA 0.279 4.449 4.170 -0.000 0.000 0.298 1112 I C -0.040 176.036 176.117 -0.067 0.000 0.998 1112 I CA -0.389 60.868 61.300 -0.071 0.000 1.137 1112 I CB 1.947 39.907 38.000 -0.067 0.000 1.310 1112 I HN 0.450 nan 8.210 nan 0.000 0.445 1113 S N 3.152 118.831 115.700 -0.034 0.000 2.489 1113 S HA 0.332 4.802 4.470 -0.000 0.000 0.277 1113 S C 0.221 174.803 174.600 -0.030 0.000 1.230 1113 S CA -0.711 57.475 58.200 -0.023 0.000 1.053 1113 S CB 0.847 64.049 63.200 0.004 0.000 0.955 1113 S HN 0.754 nan 8.310 nan 0.000 0.488 1114 T N -0.107 114.418 114.554 -0.047 0.000 2.847 1114 T HA 0.270 4.620 4.350 -0.000 0.000 0.279 1114 T C 1.051 175.746 174.700 -0.009 0.000 0.984 1114 T CA -0.835 61.245 62.100 -0.033 0.000 0.988 1114 T CB 0.544 69.377 68.868 -0.059 0.000 1.040 1114 T HN 0.674 nan 8.240 nan 0.000 0.528 1115 E N -0.058 120.140 120.200 -0.004 0.000 2.510 1115 E HA 0.042 4.392 4.350 -0.000 0.000 0.202 1115 E C 0.031 176.635 176.600 0.008 0.000 1.072 1115 E CA 0.411 56.814 56.400 0.006 0.000 0.883 1115 E CB -0.561 29.147 29.700 0.014 0.000 0.818 1115 E HN 0.630 nan 8.360 nan 0.000 0.548 1116 I N 2.254 122.813 120.570 -0.018 0.000 2.312 1116 I HA 0.055 4.225 4.170 -0.000 0.000 0.290 1116 I C 0.311 176.461 176.117 0.055 0.000 1.008 1116 I CA -0.706 60.606 61.300 0.020 0.000 1.226 1116 I CB 1.243 39.234 38.000 -0.014 0.000 1.371 1116 I HN 0.097 nan 8.210 nan 0.000 0.468 1117 E N 6.372 126.619 120.200 0.079 0.000 2.465 1117 E HA -0.126 4.224 4.350 -0.000 0.000 0.260 1117 E C -0.160 176.489 176.600 0.082 0.000 0.980 1117 E CA 0.441 56.884 56.400 0.071 0.000 0.927 1117 E CB 0.337 30.079 29.700 0.070 0.000 0.934 1117 E HN 0.608 nan 8.360 nan 0.000 0.459 1118 D N 1.595 122.042 120.400 0.078 0.000 3.006 1118 D HA -0.214 4.426 4.640 -0.000 0.000 0.205 1118 D C -0.822 175.555 176.300 0.127 0.000 1.075 1118 D CA 0.741 54.805 54.000 0.106 0.000 1.000 1118 D CB -0.908 39.964 40.800 0.119 0.000 1.097 1118 D HN 0.300 nan 8.370 nan 0.000 0.426 1119 L N 1.532 122.803 121.223 0.080 0.000 2.319 1119 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 1119 L C -0.676 176.168 176.870 -0.044 0.000 1.005 1119 L CA -0.302 54.553 54.840 0.024 0.000 0.828 1119 L CB 1.461 43.518 42.059 -0.003 0.000 1.227 1119 L HN -0.232 nan 8.230 nan 0.000 0.415 1120 D N 3.319 123.683 120.400 -0.060 0.000 2.299 1120 D HA 0.648 5.288 4.640 -0.000 0.000 0.243 1120 D C -0.962 175.171 176.300 -0.279 0.000 0.982 1120 D CA -0.142 53.791 54.000 -0.113 0.000 0.924 1120 D CB 2.498 43.318 40.800 0.033 0.000 1.238 1120 D HN 0.252 nan 8.370 nan 0.000 0.484 1121 V N 1.507 121.249 119.914 -0.287 0.000 2.588 1121 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 1121 V C -0.862 175.086 176.094 -0.243 0.000 1.042 1121 V CA -0.894 61.202 62.300 -0.340 0.000 0.877 1121 V CB 1.973 33.528 31.823 -0.447 0.000 0.996 1121 V HN 0.331 nan 8.190 nan 0.000 0.425 1122 L N 6.094 127.174 121.223 -0.238 0.000 2.283 1122 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 1122 L C 0.688 177.469 176.870 -0.148 0.000 1.033 1122 L CA 0.340 55.067 54.840 -0.189 0.000 0.848 1122 L CB 1.162 43.104 42.059 -0.196 0.000 1.226 1122 L HN 0.897 nan 8.230 nan 0.000 0.429 1123 T N 0.461 114.941 114.554 -0.123 0.000 2.698 1123 T HA 0.192 4.542 4.350 -0.000 0.000 0.295 1123 T C 1.385 176.025 174.700 -0.099 0.000 1.007 1123 T CA 0.088 62.131 62.100 -0.095 0.000 0.980 1123 T CB 0.708 69.523 68.868 -0.088 0.000 1.036 1123 T HN 0.710 nan 8.240 nan 0.000 0.526 1124 S N 0.152 115.793 115.700 -0.100 0.000 2.383 1124 S HA 0.334 4.804 4.470 -0.000 0.000 0.227 1124 S C 1.507 176.046 174.600 -0.102 0.000 1.026 1124 S CA 0.465 58.612 58.200 -0.087 0.000 0.981 1124 S CB -1.636 61.521 63.200 -0.071 0.000 0.818 1124 S HN 2.171 nan 8.310 nan 0.000 0.472 1125 G N 0.951 109.673 108.800 -0.130 0.000 2.728 1125 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.294 1125 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.294 1125 G C -3.226 171.617 174.900 -0.096 0.000 1.342 1125 G CA -0.679 44.358 45.100 -0.104 0.000 0.866 1125 G HN 0.442 nan 8.290 nan 0.000 0.534 1126 P HA 0.285 nan 4.420 nan 0.000 0.267 1126 P C 0.600 177.885 177.300 -0.025 0.000 1.200 1126 P CA -0.401 62.703 63.100 0.007 0.000 0.772 1126 P CB 0.316 32.102 31.700 0.144 0.000 0.855 1127 I N 4.323 124.891 120.570 -0.004 0.000 2.671 1127 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 1127 I C -1.385 174.729 176.117 -0.005 0.000 1.148 1127 I CA -1.862 59.434 61.300 -0.006 0.000 1.386 1127 I CB -1.036 36.973 38.000 0.015 0.000 1.406 1127 I HN 0.270 nan 8.210 nan 0.000 0.540 1128 P HA 0.306 nan 4.420 nan 0.000 0.276 1128 P C -2.148 175.141 177.300 -0.018 0.000 1.252 1128 P CA -1.249 61.816 63.100 -0.059 0.000 0.802 1128 P CB 0.343 31.966 31.700 -0.128 0.000 1.035 1129 P HA -0.021 nan 4.420 nan 0.000 0.231 1129 P C 0.125 177.417 177.300 -0.012 0.000 1.168 1129 P CA 1.100 64.205 63.100 0.007 0.000 0.779 1129 P CB 0.085 31.802 31.700 0.028 0.000 0.844 1130 N N -1.275 117.406 118.700 -0.032 0.000 2.672 1130 N HA 0.123 4.863 4.740 -0.000 0.000 0.295 1130 N C -2.097 173.371 175.510 -0.069 0.000 1.924 1130 N CA -1.783 51.242 53.050 -0.042 0.000 0.851 1130 N CB 0.307 38.773 38.487 -0.035 0.000 1.281 1130 N HN 0.018 nan 8.380 nan 0.000 0.494 1131 P HA -0.194 nan 4.420 nan 0.000 0.215 1131 P C 1.545 178.762 177.300 -0.138 0.000 1.157 1131 P CA 1.605 64.649 63.100 -0.094 0.000 0.868 1131 P CB 0.176 31.837 31.700 -0.065 0.000 0.788 1132 S N 0.061 115.684 115.700 -0.129 0.000 2.382 1132 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 1132 S C 1.909 176.410 174.600 -0.166 0.000 1.027 1132 S CA 1.322 59.419 58.200 -0.171 0.000 0.991 1132 S CB -1.108 62.018 63.200 -0.125 0.000 0.823 1132 S HN 0.030 nan 8.310 nan 0.000 0.469 1133 E N 1.581 121.713 120.200 -0.113 0.000 2.150 1133 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 1133 E C 1.974 178.518 176.600 -0.094 0.000 0.985 1133 E CA 0.875 57.223 56.400 -0.086 0.000 0.814 1133 E CB -0.536 29.130 29.700 -0.056 0.000 0.752 1133 E HN 0.546 nan 8.360 nan 0.000 0.466 1134 L N 0.071 121.222 121.223 -0.119 0.000 2.131 1134 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 1134 L C 2.044 178.820 176.870 -0.157 0.000 1.092 1134 L CA 0.822 55.591 54.840 -0.117 0.000 0.759 1134 L CB -0.329 41.651 42.059 -0.132 0.000 0.903 1134 L HN 0.177 nan 8.230 nan 0.000 0.435 1135 I N -0.491 119.900 120.570 -0.298 0.000 2.233 1135 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 1135 I C 1.933 177.927 176.117 -0.205 0.000 1.093 1135 I CA 1.475 62.457 61.300 -0.531 0.000 1.380 1135 I CB -0.427 37.031 38.000 -0.903 0.000 1.067 1135 I HN 0.280 nan 8.210 nan 0.000 0.413 1136 T N -1.100 113.398 114.554 -0.093 0.000 3.473 1136 T HA 0.154 4.504 4.350 -0.000 0.000 0.247 1136 T C 0.433 175.197 174.700 0.107 0.000 1.010 1136 T CA -0.293 61.838 62.100 0.052 0.000 0.940 1136 T CB -0.978 67.882 68.868 -0.013 0.000 1.068 1136 T HN 0.300 nan 8.240 nan 0.000 0.604 1137 S N -0.012 115.769 115.700 0.135 0.000 2.578 1137 S HA 0.511 4.981 4.470 -0.000 0.000 0.301 1137 S C 1.253 175.950 174.600 0.162 0.000 1.091 1137 S CA -1.258 57.010 58.200 0.115 0.000 1.032 1137 S CB 1.866 65.106 63.200 0.065 0.000 1.064 1137 S HN 0.132 nan 8.310 nan 0.000 0.508 1138 R N 1.167 121.737 120.500 0.116 0.000 2.139 1138 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 1138 R C 2.356 178.701 176.300 0.074 0.000 1.145 1138 R CA 1.546 57.707 56.100 0.102 0.000 0.976 1138 R CB -1.620 28.721 30.300 0.068 0.000 0.866 1138 R HN 0.850 nan 8.270 nan 0.000 0.449 1139 A N 1.027 123.888 122.820 0.068 0.000 1.883 1139 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 1139 A C 2.044 179.654 177.584 0.044 0.000 1.186 1139 A CA 1.362 53.429 52.037 0.050 0.000 0.624 1139 A CB -0.698 18.330 19.000 0.047 0.000 0.822 1139 A HN 0.303 nan 8.150 nan 0.000 0.444 1140 F N 0.828 120.736 119.950 -0.070 0.000 2.113 1140 F HA -0.005 4.522 4.527 -0.000 0.000 0.297 1140 F C 2.596 178.256 175.800 -0.233 0.000 1.103 1140 F CA 1.004 58.907 58.000 -0.162 0.000 1.248 1140 F CB -0.642 38.202 39.000 -0.260 0.000 0.999 1140 F HN 0.261 nan 8.300 nan 0.000 0.475 1141 A N 0.399 123.095 122.820 -0.207 0.000 1.927 1141 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 1141 A C 2.013 179.541 177.584 -0.094 0.000 1.185 1141 A CA 2.437 54.436 52.037 -0.063 0.000 0.639 1141 A CB -1.197 17.973 19.000 0.285 0.000 0.820 1141 A HN 0.543 nan 8.150 nan 0.000 0.451 1142 N N -0.843 117.809 118.700 -0.080 0.000 2.142 1142 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 1142 N C 1.539 176.979 175.510 -0.116 0.000 1.023 1142 N CA 1.216 54.227 53.050 -0.064 0.000 0.852 1142 N CB -0.350 38.120 38.487 -0.027 0.000 0.998 1142 N HN 0.385 nan 8.380 nan 0.000 0.424 1143 L N -0.030 121.086 121.223 -0.178 0.000 1.970 1143 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 1143 L C 1.939 178.660 176.870 -0.247 0.000 1.071 1143 L CA 1.715 56.455 54.840 -0.167 0.000 0.751 1143 L CB -1.295 40.654 42.059 -0.184 0.000 0.889 1143 L HN 0.257 nan 8.230 nan 0.000 0.432 1144 Y N 0.793 120.680 120.300 -0.688 0.000 2.102 1144 Y HA -0.333 4.217 4.550 -0.000 0.000 0.280 1144 Y C 2.378 178.133 175.900 -0.241 0.000 1.178 1144 Y CA 2.298 60.050 58.100 -0.580 0.000 1.146 1144 Y CB -0.545 37.392 38.460 -0.871 0.000 0.968 1144 Y HN 0.395 nan 8.280 nan 0.000 0.504 1145 D N -0.980 119.317 120.400 -0.172 0.000 2.123 1145 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 1145 D C 2.088 178.287 176.300 -0.167 0.000 0.992 1145 D CA 2.141 56.050 54.000 -0.152 0.000 0.833 1145 D CB -0.497 40.278 40.800 -0.041 0.000 0.954 1145 D HN 0.405 nan 8.370 nan 0.000 0.455 1146 T N 1.396 115.872 114.554 -0.131 0.000 2.821 1146 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 1146 T C 2.243 176.913 174.700 -0.050 0.000 1.046 1146 T CA 0.404 62.441 62.100 -0.104 0.000 1.139 1146 T CB -0.193 68.605 68.868 -0.117 0.000 0.871 1146 T HN 0.138 nan 8.240 nan 0.000 0.454 1147 L N 0.544 121.739 121.223 -0.048 0.000 2.083 1147 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 1147 L C 2.034 178.896 176.870 -0.013 0.000 1.083 1147 L CA 1.109 55.975 54.840 0.045 0.000 0.752 1147 L CB -0.576 41.445 42.059 -0.063 0.000 0.899 1147 L HN 0.285 nan 8.230 nan 0.000 0.433 1148 L N -1.121 119.978 121.223 -0.207 0.000 2.599 1148 L HA -0.009 4.331 4.340 -0.000 0.000 0.230 1148 L C 2.048 178.872 176.870 -0.076 0.000 1.141 1148 L CA 0.208 54.948 54.840 -0.168 0.000 0.877 1148 L CB -0.160 41.727 42.059 -0.286 0.000 1.009 1148 L HN 0.344 nan 8.230 nan 0.000 0.447 1149 M N -1.079 118.479 119.600 -0.071 0.000 2.534 1149 M HA 0.055 4.535 4.480 -0.000 0.000 0.263 1149 M C 1.284 177.534 176.300 -0.083 0.000 1.152 1149 M CA 0.719 55.976 55.300 -0.071 0.000 1.145 1149 M CB 0.257 32.804 32.600 -0.088 0.000 1.333 1149 M HN 0.202 nan 8.290 nan 0.000 0.477 1150 N N -1.034 117.606 118.700 -0.099 0.000 2.273 1150 N HA 0.129 4.869 4.740 -0.000 0.000 0.192 1150 N C -0.834 174.403 175.510 -0.454 0.000 1.132 1150 N CA 0.428 53.325 53.050 -0.254 0.000 0.887 1150 N CB 0.955 39.282 38.487 -0.266 0.000 1.048 1150 N HN 0.164 nan 8.380 nan 0.000 0.490 1151 Y N 0.285 120.583 120.300 -0.004 0.000 2.446 1151 Y HA 0.322 4.872 4.550 -0.000 0.000 0.345 1151 Y C 0.969 176.902 175.900 0.055 0.000 0.984 1151 Y CA -0.870 57.243 58.100 0.022 0.000 1.058 1151 Y CB 1.362 39.818 38.460 -0.006 0.000 1.220 1151 Y HN -0.146 nan 8.280 nan 0.000 0.455 1152 N N 1.281 120.151 118.700 0.283 0.000 2.354 1152 N HA -0.003 4.737 4.740 -0.000 0.000 0.179 1152 N C -0.962 174.832 175.510 0.473 0.000 1.021 1152 N CA 0.682 53.924 53.050 0.320 0.000 0.887 1152 N CB 0.431 39.103 38.487 0.309 0.000 0.974 1152 N HN 0.359 nan 8.380 nan 0.000 0.437 1153 F N 0.360 120.437 119.950 0.212 0.000 2.588 1153 F HA 0.427 4.954 4.527 -0.000 0.000 0.314 1153 F C -1.651 174.094 175.800 -0.093 0.000 1.134 1153 F CA -1.006 57.005 58.000 0.018 0.000 0.961 1153 F CB 1.378 40.290 39.000 -0.146 0.000 1.239 1153 F HN -0.406 nan 8.300 nan 0.000 0.448 1154 V N 7.167 126.575 119.914 -0.842 0.000 2.407 1154 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 1154 V C -0.278 175.367 176.094 -0.749 0.000 1.018 1154 V CA -0.619 61.314 62.300 -0.612 0.000 0.842 1154 V CB 1.577 33.192 31.823 -0.346 0.000 0.996 1154 V HN 0.576 nan 8.190 nan 0.000 0.426 1155 I N 5.887 126.153 120.570 -0.507 0.000 2.339 1155 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 1155 I C -0.453 175.512 176.117 -0.253 0.000 0.994 1155 I CA -0.347 60.743 61.300 -0.349 0.000 1.191 1155 I CB 1.656 39.553 38.000 -0.173 0.000 1.343 1155 I HN 0.446 nan 8.210 nan 0.000 0.458 1156 I N 5.328 125.755 120.570 -0.238 0.000 2.307 1156 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 1156 I C -0.041 175.929 176.117 -0.245 0.000 1.021 1156 I CA -0.482 60.633 61.300 -0.307 0.000 1.224 1156 I CB 0.902 38.620 38.000 -0.469 0.000 1.376 1156 I HN 0.498 nan 8.210 nan 0.000 0.470 1157 D N 5.411 125.697 120.400 -0.189 0.000 2.389 1157 D HA 0.236 4.876 4.640 -0.000 0.000 0.247 1157 D C -0.060 176.158 176.300 -0.136 0.000 1.128 1157 D CA 0.291 54.232 54.000 -0.098 0.000 0.884 1157 D CB 1.042 41.820 40.800 -0.036 0.000 1.194 1157 D HN 0.634 nan 8.370 nan 0.000 0.441 1158 T N 0.320 114.850 114.554 -0.041 0.000 2.887 1158 T HA 0.726 5.076 4.350 -0.000 0.000 0.292 1158 T C -2.820 171.920 174.700 0.067 0.000 1.087 1158 T CA -1.908 60.209 62.100 0.029 0.000 1.009 1158 T CB 1.688 70.617 68.868 0.102 0.000 1.203 1158 T HN 0.062 nan 8.240 nan 0.000 0.518 1159 P HA 0.419 nan 4.420 nan 0.000 0.274 1159 P C -2.703 174.643 177.300 0.076 0.000 1.246 1159 P CA -1.539 61.605 63.100 0.073 0.000 0.795 1159 P CB -0.692 31.048 31.700 0.066 0.000 1.006 1160 P HA -0.040 nan 4.420 nan 0.000 0.268 1160 P C 0.844 178.188 177.300 0.074 0.000 1.205 1160 P CA 0.203 63.347 63.100 0.075 0.000 0.771 1160 P CB 0.422 32.156 31.700 0.057 0.000 0.858 1161 V N 3.010 122.981 119.914 0.095 0.000 2.871 1161 V HA -0.149 3.971 4.120 -0.000 0.000 0.256 1161 V C 1.431 177.555 176.094 0.049 0.000 1.082 1161 V CA 1.712 64.053 62.300 0.069 0.000 1.105 1161 V CB -0.835 31.029 31.823 0.069 0.000 0.713 1161 V HN 0.408 nan 8.190 nan 0.000 0.473 1162 N N -0.016 118.721 118.700 0.061 0.000 2.331 1162 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 1162 N C 1.734 177.260 175.510 0.028 0.000 1.019 1162 N CA 1.784 54.859 53.050 0.041 0.000 0.881 1162 N CB -0.340 38.176 38.487 0.048 0.000 0.972 1162 N HN 0.487 nan 8.380 nan 0.000 0.435 1163 T N 0.215 114.787 114.554 0.030 0.000 2.814 1163 T HA 0.070 4.420 4.350 -0.000 0.000 0.254 1163 T C 0.950 175.658 174.700 0.014 0.000 1.037 1163 T CA 0.683 62.797 62.100 0.022 0.000 1.143 1163 T CB 0.056 68.940 68.868 0.027 0.000 0.866 1163 T HN 0.139 nan 8.240 nan 0.000 0.431 1164 V N -0.729 119.194 119.914 0.015 0.000 2.962 1164 V HA 0.609 4.729 4.120 -0.000 0.000 0.313 1164 V C 1.145 177.236 176.094 -0.006 0.000 1.099 1164 V CA -0.566 61.735 62.300 0.001 0.000 0.971 1164 V CB 1.454 33.275 31.823 -0.003 0.000 1.028 1164 V HN 0.134 nan 8.190 nan 0.000 0.430 1165 T N 0.813 115.352 114.554 -0.025 0.000 2.977 1165 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 1165 T C 1.141 175.805 174.700 -0.061 0.000 1.105 1165 T CA 2.269 64.345 62.100 -0.040 0.000 1.116 1165 T CB -0.660 68.177 68.868 -0.051 0.000 0.878 1165 T HN 0.982 nan 8.240 nan 0.000 0.509 1166 D N 1.672 122.030 120.400 -0.071 0.000 2.248 1166 D HA -0.208 4.432 4.640 -0.000 0.000 0.189 1166 D C 2.180 178.454 176.300 -0.044 0.000 1.011 1166 D CA 1.810 55.740 54.000 -0.116 0.000 0.868 1166 D CB -0.745 40.035 40.800 -0.033 0.000 0.931 1166 D HN 0.581 nan 8.370 nan 0.000 0.449 1167 A N -0.015 122.853 122.820 0.081 0.000 2.121 1167 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 1167 A C 2.022 179.655 177.584 0.083 0.000 1.154 1167 A CA 1.199 53.329 52.037 0.155 0.000 0.679 1167 A CB -0.381 18.692 19.000 0.122 0.000 0.795 1167 A HN 0.277 nan 8.150 nan 0.000 0.458 1168 Q N -0.540 119.263 119.800 0.006 0.000 2.096 1168 Q HA 0.000 4.340 4.340 -0.000 0.000 0.197 1168 Q C 1.897 177.878 176.000 -0.033 0.000 0.964 1168 Q CA 1.251 57.043 55.803 -0.020 0.000 0.838 1168 Q CB -0.226 28.485 28.738 -0.044 0.000 0.906 1168 Q HN 0.701 nan 8.270 nan 0.000 0.444 1169 L N -0.747 120.420 121.223 -0.094 0.000 2.156 1169 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 1169 L C 1.984 178.838 176.870 -0.027 0.000 1.095 1169 L CA 0.605 55.366 54.840 -0.131 0.000 0.770 1169 L CB -0.325 41.592 42.059 -0.237 0.000 0.914 1169 L HN 0.124 nan 8.230 nan 0.000 0.439 1170 F N 0.461 120.408 119.950 -0.006 0.000 2.171 1170 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 1170 F C 2.730 178.569 175.800 0.065 0.000 1.090 1170 F CA 1.240 59.251 58.000 0.018 0.000 1.293 1170 F CB -0.782 38.172 39.000 -0.077 0.000 1.013 1170 F HN -0.031 nan 8.300 nan 0.000 0.486 1171 S N -0.467 115.343 115.700 0.184 0.000 2.399 1171 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 1171 S C 1.957 176.575 174.600 0.031 0.000 1.022 1171 S CA 1.179 59.433 58.200 0.090 0.000 0.983 1171 S CB -0.271 62.953 63.200 0.041 0.000 0.803 1171 S HN 0.172 nan 8.310 nan 0.000 0.480 1172 K N 1.106 121.486 120.400 -0.034 0.000 2.209 1172 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 1172 K C 1.277 177.722 176.600 -0.258 0.000 1.048 1172 K CA 1.301 57.480 56.287 -0.181 0.000 0.940 1172 K CB -0.394 31.931 32.500 -0.293 0.000 0.729 1172 K HN 0.359 nan 8.250 nan 0.000 0.451 1173 F N -0.404 119.488 119.950 -0.098 0.000 2.219 1173 F HA -0.022 4.506 4.527 0.000 0.000 0.294 1173 F C 2.524 178.198 175.800 -0.210 0.000 1.086 1173 F CA 1.510 59.354 58.000 -0.261 0.000 1.330 1173 F CB -0.858 37.798 39.000 -0.573 0.000 1.047 1173 F HN 0.171 nan 8.300 nan 0.000 0.495 1174 T N -2.851 111.742 114.554 0.064 0.000 2.851 1174 T HA 0.188 4.538 4.350 -0.000 0.000 0.262 1174 T C 2.083 176.855 174.700 0.119 0.000 1.043 1174 T CA 1.085 63.268 62.100 0.138 0.000 1.140 1174 T CB -0.576 68.361 68.868 0.115 0.000 0.872 1174 T HN 0.468 nan 8.240 nan 0.000 0.446 1175 G N 1.787 110.629 108.800 0.071 0.000 2.184 1175 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 1175 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 1175 G C -0.016 174.920 174.900 0.061 0.000 0.975 1175 G CA 0.266 45.399 45.100 0.055 0.000 0.642 1175 G HN 0.735 nan 8.290 nan 0.000 0.536 1176 N N -0.551 118.192 118.700 0.072 0.000 2.310 1176 N HA 0.582 5.322 4.740 -0.000 0.000 0.292 1176 N C -1.046 174.506 175.510 0.070 0.000 1.049 1176 N CA -0.275 52.820 53.050 0.075 0.000 0.849 1176 N CB 2.714 41.260 38.487 0.099 0.000 1.532 1176 N HN 0.121 nan 8.380 nan 0.000 0.479 1177 V N 1.484 121.439 119.914 0.068 0.000 2.638 1177 V HA 0.432 4.552 4.120 -0.000 0.000 0.306 1177 V C -0.180 175.976 176.094 0.102 0.000 1.052 1177 V CA -0.801 61.541 62.300 0.070 0.000 0.885 1177 V CB 2.347 34.191 31.823 0.036 0.000 0.999 1177 V HN 0.339 nan 8.190 nan 0.000 0.424 1178 V N 4.519 124.510 119.914 0.128 0.000 2.398 1178 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 1178 V C -0.987 175.242 176.094 0.226 0.000 1.026 1178 V CA -0.690 61.709 62.300 0.164 0.000 0.868 1178 V CB 1.523 33.441 31.823 0.158 0.000 0.982 1178 V HN 0.738 nan 8.190 nan 0.000 0.443 1179 Y N 4.673 125.008 120.300 0.059 0.000 2.331 1179 Y HA 0.576 5.126 4.550 -0.000 0.000 0.338 1179 Y C -0.189 175.739 175.900 0.047 0.000 0.976 1179 Y CA -1.207 56.922 58.100 0.048 0.000 1.137 1179 Y CB 1.740 40.225 38.460 0.041 0.000 1.172 1179 Y HN 0.383 nan 8.280 nan 0.000 0.478 1180 V N 7.501 127.349 119.914 -0.110 0.000 2.348 1180 V HA 0.302 4.422 4.120 -0.000 0.000 0.270 1180 V C -0.480 175.418 176.094 -0.327 0.000 1.037 1180 V CA -0.748 61.459 62.300 -0.154 0.000 0.872 1180 V CB 0.884 32.683 31.823 -0.040 0.000 1.002 1180 V HN 0.529 nan 8.190 nan 0.000 0.464 1181 V N 4.715 124.460 119.914 -0.282 0.000 2.370 1181 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 1181 V C 0.412 176.421 176.094 -0.141 0.000 1.023 1181 V CA -0.815 61.330 62.300 -0.257 0.000 0.857 1181 V CB 1.607 33.288 31.823 -0.236 0.000 0.985 1181 V HN 0.844 nan 8.190 nan 0.000 0.443 1182 N N 3.539 122.167 118.700 -0.119 0.000 2.406 1182 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 1182 N C 1.392 176.857 175.510 -0.075 0.000 1.203 1182 N CA 0.612 53.609 53.050 -0.087 0.000 0.945 1182 N CB 1.402 39.845 38.487 -0.073 0.000 1.165 1182 N HN 0.794 nan 8.380 nan 0.000 0.485 1183 S N 3.083 118.741 115.700 -0.069 0.000 2.402 1183 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 1183 S C 1.293 175.863 174.600 -0.050 0.000 1.021 1183 S CA 0.791 58.957 58.200 -0.056 0.000 0.974 1183 S CB -0.186 62.984 63.200 -0.050 0.000 0.800 1183 S HN 0.673 nan 8.310 nan 0.000 0.484 1184 E N 1.406 121.573 120.200 -0.055 0.000 2.153 1184 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 1184 E C 0.163 176.739 176.600 -0.040 0.000 0.988 1184 E CA 0.785 57.156 56.400 -0.048 0.000 0.811 1184 E CB -0.033 29.634 29.700 -0.055 0.000 0.746 1184 E HN 0.529 nan 8.360 nan 0.000 0.466 1185 N N 0.429 119.104 118.700 -0.042 0.000 2.629 1185 N HA 0.080 4.820 4.740 -0.000 0.000 0.277 1185 N C -2.086 173.403 175.510 -0.034 0.000 1.188 1185 N CA -0.457 52.573 53.050 -0.034 0.000 0.835 1185 N CB 0.425 38.892 38.487 -0.033 0.000 1.420 1185 N HN 0.108 nan 8.380 nan 0.000 0.542 1186 N N 0.480 119.163 118.700 -0.028 0.000 2.859 1186 N HA 0.264 5.004 4.740 -0.000 0.000 0.250 1186 N C -1.988 173.514 175.510 -0.013 0.000 1.341 1186 N CA -0.964 52.071 53.050 -0.024 0.000 0.881 1186 N CB 0.862 39.326 38.487 -0.037 0.000 1.516 1186 N HN 0.151 nan 8.380 nan 0.000 0.503 1187 N N 1.405 120.102 118.700 -0.005 0.000 2.609 1187 N HA 0.084 4.824 4.740 -0.000 0.000 0.234 1187 N C 0.430 175.946 175.510 0.011 0.000 1.001 1187 N CA -0.259 52.792 53.050 0.003 0.000 0.926 1187 N CB 0.821 39.312 38.487 0.006 0.000 1.130 1187 N HN 0.831 nan 8.380 nan 0.000 0.510 1188 K N 2.687 123.092 120.400 0.008 0.000 2.728 1188 K HA -0.300 4.020 4.320 -0.000 0.000 0.202 1188 K C 0.215 176.832 176.600 0.028 0.000 0.892 1188 K CA 2.489 58.785 56.287 0.016 0.000 0.885 1188 K CB 0.013 32.519 32.500 0.011 0.000 1.360 1188 K HN 0.571 nan 8.250 nan 0.000 0.539 1189 D N -0.531 119.883 120.400 0.024 0.000 2.249 1189 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 1189 D C 1.726 178.048 176.300 0.037 0.000 0.962 1189 D CA 0.842 54.858 54.000 0.027 0.000 0.860 1189 D CB 0.021 40.832 40.800 0.018 0.000 0.955 1189 D HN 0.483 nan 8.370 nan 0.000 0.505 1190 E N 0.380 120.604 120.200 0.040 0.000 2.158 1190 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 1190 E C 2.239 178.893 176.600 0.090 0.000 0.982 1190 E CA 0.289 56.719 56.400 0.051 0.000 0.823 1190 E CB 0.386 30.110 29.700 0.040 0.000 0.766 1190 E HN 0.039 nan 8.360 nan 0.000 0.468 1191 V N 1.432 121.405 119.914 0.099 0.000 2.427 1191 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 1191 V C 2.251 178.469 176.094 0.207 0.000 1.051 1191 V CA 1.572 63.978 62.300 0.177 0.000 1.048 1191 V CB -0.335 31.541 31.823 0.090 0.000 0.666 1191 V HN 0.134 nan 8.190 nan 0.000 0.456 1192 K N 0.527 120.994 120.400 0.112 0.000 2.026 1192 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 1192 K C 2.216 178.845 176.600 0.049 0.000 1.048 1192 K CA 1.865 58.196 56.287 0.075 0.000 0.929 1192 K CB -0.122 32.406 32.500 0.047 0.000 0.713 1192 K HN 0.318 nan 8.250 nan 0.000 0.439 1193 K N -0.309 120.120 120.400 0.047 0.000 2.217 1193 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 1193 K C 1.813 178.420 176.600 0.011 0.000 1.051 1193 K CA 1.345 57.646 56.287 0.023 0.000 0.952 1193 K CB -0.291 32.222 32.500 0.023 0.000 0.736 1193 K HN 0.253 nan 8.250 nan 0.000 0.453 1194 G N 1.392 110.224 108.800 0.052 0.000 2.433 1194 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.216 1194 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.216 1194 G C 1.430 176.208 174.900 -0.203 0.000 1.186 1194 G CA 1.185 46.294 45.100 0.015 0.000 0.779 1194 G HN 0.445 nan 8.290 nan 0.000 0.543 1195 K N 0.575 120.831 120.400 -0.240 0.000 2.044 1195 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 1195 K C 2.307 178.803 176.600 -0.173 0.000 1.049 1195 K CA 1.941 58.043 56.287 -0.309 0.000 0.927 1195 K CB -0.251 32.174 32.500 -0.125 0.000 0.713 1195 K HN 0.385 nan 8.250 nan 0.000 0.443 1196 E N 0.515 120.660 120.200 -0.091 0.000 2.106 1196 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 1196 E C 2.048 178.610 176.600 -0.063 0.000 0.984 1196 E CA 1.112 57.476 56.400 -0.059 0.000 0.806 1196 E CB -0.007 29.674 29.700 -0.031 0.000 0.750 1196 E HN 0.293 nan 8.360 nan 0.000 0.458 1197 L N 0.556 121.738 121.223 -0.068 0.000 2.046 1197 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 1197 L C 2.157 178.982 176.870 -0.074 0.000 1.077 1197 L CA 0.524 55.328 54.840 -0.060 0.000 0.747 1197 L CB -0.328 41.706 42.059 -0.043 0.000 0.896 1197 L HN 0.225 nan 8.230 nan 0.000 0.432 1198 I N 0.079 120.578 120.570 -0.117 0.000 2.142 1198 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 1198 I C 2.440 178.508 176.117 -0.082 0.000 1.078 1198 I CA 1.604 62.837 61.300 -0.113 0.000 1.343 1198 I CB -1.053 36.833 38.000 -0.191 0.000 1.046 1198 I HN 0.330 nan 8.210 nan 0.000 0.405 1199 E N 0.633 120.781 120.200 -0.086 0.000 2.204 1199 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 1199 E C 2.241 178.814 176.600 -0.045 0.000 0.990 1199 E CA 1.026 57.392 56.400 -0.057 0.000 0.821 1199 E CB -0.083 29.586 29.700 -0.052 0.000 0.750 1199 E HN 0.474 nan 8.360 nan 0.000 0.477 1200 A N 1.013 123.804 122.820 -0.047 0.000 2.019 1200 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 1200 A C 2.353 179.911 177.584 -0.043 0.000 1.164 1200 A CA 1.863 53.876 52.037 -0.041 0.000 0.644 1200 A CB -0.838 18.138 19.000 -0.040 0.000 0.805 1200 A HN 0.383 nan 8.150 nan 0.000 0.449 1201 T N -4.629 109.897 114.554 -0.047 0.000 3.085 1201 T HA 0.351 4.701 4.350 -0.000 0.000 0.263 1201 T C 1.560 176.231 174.700 -0.048 0.000 1.127 1201 T CA 1.164 63.232 62.100 -0.053 0.000 1.103 1201 T CB -0.076 68.760 68.868 -0.053 0.000 0.921 1201 T HN 1.666 nan 8.240 nan 0.000 0.510 1202 G N 1.218 109.996 108.800 -0.037 0.000 2.253 1202 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.251 1202 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.251 1202 G C 0.441 175.331 174.900 -0.018 0.000 0.998 1202 G CA -0.017 45.066 45.100 -0.027 0.000 0.621 1202 G HN 1.236 nan 8.290 nan 0.000 0.524 1203 A N 0.127 122.936 122.820 -0.018 0.000 2.406 1203 A HA 0.570 4.890 4.320 -0.000 0.000 0.243 1203 A C 0.610 178.197 177.584 0.004 0.000 1.082 1203 A CA 1.059 53.095 52.037 -0.001 0.000 0.786 1203 A CB 0.289 19.291 19.000 0.003 0.000 1.029 1203 A HN 0.709 nan 8.150 nan 0.000 0.495 1204 K N 1.234 121.647 120.400 0.022 0.000 2.258 1204 K HA 0.416 4.736 4.320 -0.000 0.000 0.284 1204 K C -0.913 175.705 176.600 0.031 0.000 1.051 1204 K CA -0.189 56.115 56.287 0.028 0.000 0.923 1204 K CB 0.417 32.945 32.500 0.046 0.000 1.046 1204 K HN 0.630 nan 8.250 nan 0.000 0.474 1205 L N 7.319 128.554 121.223 0.019 0.000 2.261 1205 L HA 0.145 4.485 4.340 -0.000 0.000 0.289 1205 L C 0.776 177.681 176.870 0.059 0.000 1.059 1205 L CA -0.349 54.505 54.840 0.023 0.000 0.816 1205 L CB 0.568 42.617 42.059 -0.018 0.000 1.191 1205 L HN 0.862 nan 8.230 nan 0.000 0.431 1206 L N 4.778 126.052 121.223 0.084 0.000 2.156 1206 L HA 0.182 4.522 4.340 -0.000 0.000 0.208 1206 L C 1.110 178.041 176.870 0.102 0.000 1.095 1206 L CA 0.806 55.704 54.840 0.097 0.000 0.770 1206 L CB -0.491 41.637 42.059 0.115 0.000 0.914 1206 L HN 0.817 nan 8.230 nan 0.000 0.439 1207 G N -1.229 107.640 108.800 0.115 0.000 2.367 1207 G HA2 0.300 4.260 3.960 -0.000 0.000 0.272 1207 G HA3 0.300 4.260 3.960 -0.000 0.000 0.272 1207 G C -1.839 173.150 174.900 0.148 0.000 1.271 1207 G CA -0.556 44.614 45.100 0.117 0.000 0.893 1207 G HN -0.277 nan 8.290 nan 0.000 0.485 1208 V N -0.246 119.741 119.914 0.122 0.000 2.715 1208 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 1208 V C -0.209 175.926 176.094 0.068 0.000 1.054 1208 V CA -0.731 61.633 62.300 0.106 0.000 0.928 1208 V CB 1.793 33.663 31.823 0.079 0.000 1.007 1208 V HN 0.709 nan 8.190 nan 0.000 0.437 1209 V N 5.365 125.306 119.914 0.044 0.000 2.357 1209 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 1209 V C -0.149 175.936 176.094 -0.015 0.000 1.018 1209 V CA -0.457 61.856 62.300 0.023 0.000 0.841 1209 V CB 1.443 33.285 31.823 0.032 0.000 0.991 1209 V HN 0.612 nan 8.190 nan 0.000 0.437 1210 L N 4.851 126.068 121.223 -0.010 0.000 2.331 1210 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 1210 L C 0.192 177.044 176.870 -0.030 0.000 1.106 1210 L CA 0.183 55.007 54.840 -0.028 0.000 0.824 1210 L CB 0.764 42.815 42.059 -0.013 0.000 1.142 1210 L HN 0.638 nan 8.230 nan 0.000 0.443 1211 N N 1.971 120.638 118.700 -0.054 0.000 2.362 1211 N HA 0.446 5.186 4.740 -0.000 0.000 0.299 1211 N C -0.297 175.159 175.510 -0.090 0.000 1.170 1211 N CA -0.637 52.372 53.050 -0.069 0.000 0.825 1211 N CB 1.261 39.708 38.487 -0.067 0.000 1.299 1211 N HN 0.442 nan 8.380 nan 0.000 0.502 1212 R N -0.086 120.337 120.500 -0.130 0.000 3.770 1212 R HA -0.151 4.189 4.340 -0.000 0.000 0.305 1212 R C -0.312 175.924 176.300 -0.106 0.000 1.184 1212 R CA 0.420 56.435 56.100 -0.142 0.000 0.823 1212 R CB -1.468 28.754 30.300 -0.129 0.000 1.285 1212 R HN 0.547 nan 8.270 nan 0.000 0.499 1213 M N 1.521 121.066 119.600 -0.092 0.000 2.249 1213 M HA 0.083 4.563 4.480 -0.000 0.000 0.340 1213 M C -1.495 174.726 176.300 -0.133 0.000 1.166 1213 M CA -1.344 53.903 55.300 -0.089 0.000 1.115 1213 M CB -0.319 32.248 32.600 -0.055 0.000 1.606 1213 M HN -0.092 nan 8.290 nan 0.000 0.448 1214 P HA 0.039 nan 4.420 nan 0.000 0.271 1214 P C 0.027 177.220 177.300 -0.179 0.000 1.218 1214 P CA -0.141 62.891 63.100 -0.113 0.000 0.780 1214 P CB 0.492 32.149 31.700 -0.071 0.000 0.901 1215 K N 1.601 121.917 120.400 -0.141 0.000 2.664 1215 K HA -0.189 4.131 4.320 -0.000 0.000 0.193 1215 K C 0.737 177.251 176.600 -0.144 0.000 1.028 1215 K CA 0.442 56.633 56.287 -0.161 0.000 1.005 1215 K CB -0.456 31.996 32.500 -0.080 0.000 0.815 1215 K HN 0.351 nan 8.250 nan 0.000 0.496 1216 D N 1.903 122.234 120.400 -0.114 0.000 3.436 1216 D HA -0.291 4.349 4.640 -0.000 0.000 0.497 1216 D C 0.105 176.426 176.300 0.035 0.000 0.593 1216 D CA 2.835 56.836 54.000 0.003 0.000 1.443 1216 D CB -0.556 40.325 40.800 0.136 0.000 0.420 1216 D HN 0.595 nan 8.370 nan 0.000 0.305 1217 K N -0.195 120.244 120.400 0.066 0.000 3.129 1217 K HA 0.579 4.899 4.320 -0.000 0.000 0.224 1217 K C 0.950 177.678 176.600 0.214 0.000 1.249 1217 K CA -0.089 56.298 56.287 0.166 0.000 1.177 1217 K CB 0.930 33.502 32.500 0.120 0.000 1.393 1217 K HN -0.076 nan 8.250 nan 0.000 0.459 1218 S N 0.510 116.309 115.700 0.166 0.000 2.387 1218 S HA -0.046 4.424 4.470 -0.000 0.000 0.226 1218 S C 1.312 175.988 174.600 0.127 0.000 1.026 1218 S CA 0.520 58.792 58.200 0.121 0.000 0.972 1218 S CB -0.122 63.128 63.200 0.083 0.000 0.814 1218 S HN 0.692 nan 8.310 nan 0.000 0.477 1219 A N 1.540 124.457 122.820 0.161 0.000 2.364 1219 A HA 0.442 4.762 4.320 -0.000 0.000 0.258 1219 A C 1.006 178.660 177.584 0.116 0.000 1.131 1219 A CA 0.416 52.518 52.037 0.107 0.000 0.800 1219 A CB 0.103 19.137 19.000 0.055 0.000 1.086 1219 A HN 0.687 nan 8.150 nan 0.000 0.508 1220 S N -3.168 112.556 115.700 0.041 0.000 2.933 1220 S HA 0.135 4.605 4.470 -0.000 0.000 0.236 1220 S C 0.571 175.149 174.600 -0.037 0.000 0.836 1220 S CA 0.696 58.917 58.200 0.036 0.000 1.298 1220 S CB -1.134 62.090 63.200 0.040 0.000 1.243 1220 S HN 1.103 nan 8.310 nan 0.000 0.607 1221 Y N 1.708 121.887 120.300 -0.203 0.000 2.576 1221 Y HA -0.506 4.044 4.550 0.000 0.000 0.490 1221 Y C 1.281 176.976 175.900 -0.342 0.000 0.843 1221 Y CA 3.203 61.070 58.100 -0.389 0.000 3.428 1221 Y CB -1.027 37.044 38.460 -0.648 0.000 0.777 1221 Y HN 0.586 nan 8.280 nan 0.000 0.568 1222 Y N -1.391 119.001 120.300 0.154 0.000 2.481 1222 Y HA 0.543 5.093 4.550 -0.000 0.000 0.258 1222 Y C 1.358 177.311 175.900 0.088 0.000 1.103 1222 Y CA -0.163 58.005 58.100 0.114 0.000 1.287 1222 Y CB -0.561 37.990 38.460 0.152 0.000 1.108 1222 Y HN 0.263 nan 8.280 nan 0.000 0.529 1223 A N 0.080 123.018 122.820 0.196 0.000 2.406 1223 A HA 0.157 4.477 4.320 -0.000 0.000 0.243 1223 A C -0.872 176.828 177.584 0.193 0.000 1.082 1223 A CA -0.209 51.937 52.037 0.182 0.000 0.786 1223 A CB -0.290 18.796 19.000 0.142 0.000 1.029 1223 A HN 0.343 nan 8.150 nan 0.000 0.495 1224 Y N 0.315 120.676 120.300 0.103 0.000 2.308 1224 Y HA 0.462 5.012 4.550 0.000 0.000 0.329 1224 Y C -0.948 175.042 175.900 0.150 0.000 1.111 1224 Y CA -0.450 57.710 58.100 0.099 0.000 1.179 1224 Y CB 0.766 39.262 38.460 0.061 0.000 1.201 1224 Y HN 0.544 nan 8.280 nan 0.000 0.483 1225 Y N 5.060 124.861 120.300 -0.832 0.000 2.447 1225 Y HA 0.574 5.124 4.550 0.000 0.000 0.325 1225 Y C -0.233 175.158 175.900 -0.849 0.000 0.976 1225 Y CA -0.507 57.218 58.100 -0.625 0.000 1.280 1225 Y CB 0.927 39.201 38.460 -0.310 0.000 1.104 1225 Y HN 0.855 nan 8.280 nan 0.000 0.486 1226 G N 3.329 111.550 108.800 -0.964 0.000 3.265 1226 G HA2 0.219 4.179 3.960 -0.000 0.000 0.236 1226 G HA3 0.219 4.179 3.960 -0.000 0.000 0.236 1226 G C -0.364 174.458 174.900 -0.131 0.000 3.888 1226 G CA -0.343 44.433 45.100 -0.540 0.000 0.423 1226 G HN 1.220 nan 8.290 nan 0.000 0.303 1227 T N -1.428 113.043 114.554 -0.140 0.000 2.648 1227 T HA -0.143 4.207 4.350 -0.000 0.000 0.488 1227 T C -0.280 174.462 174.700 0.070 0.000 0.793 1227 T CA 1.496 63.577 62.100 -0.032 0.000 2.554 1227 T CB -1.017 67.819 68.868 -0.052 0.000 1.654 1227 T HN 0.854 nan 8.240 nan 0.000 0.499 1228 D N 0.000 120.458 120.400 0.097 0.000 6.856 1228 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1228 D CA 0.000 54.049 54.000 0.082 0.000 0.868 1228 D CB 0.000 40.866 40.800 0.110 0.000 0.688 1228 D HN 0.000 nan 8.370 nan 0.000 0.683